data_r4ol8sf
# 
_audit.revision_id    1_0
_audit.creation_date  2014-03-05
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4ol8 
_cell.length_a      320.7000 
_cell.length_b      75.0620 
_cell.length_c      108.3500 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.979 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.999 
_diffrn_reflns.pdbx_d_res_low    48.898 
_diffrn_reflns.limit_h_max       106 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       25 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       36 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            53285 
_diffrn_reflns.pdbx_number_obs   53285 
# 
_entry.id   4ol8 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4ol8 
_symmetry.space_group_name_H-M   'P 21 21 2' 
_symmetry.Int_Tables_number      18 
# 
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.pdbx_anom_difference
_refln.pdbx_anom_difference_sigma
1 1 1    0    0    8 o   62.690   1.3170 -0.000000 0.000000 
1 1 1    0    0    9 o  106.500   2.2270 -0.000000 0.000000 
1 1 1    0    0   10 o   82.020   1.7190 -0.000000 0.000000 
1 1 1    0    0   11 o   85.200   1.7860 -0.000000 0.000000 
1 1 1    0    0   12 o   3.5490   1.4540 -0.000000 0.000000 
1 1 1    0    0   13 o   5.2660   1.5320 -0.000000 0.000000 
1 1 1    0    0   14 o   9.3040   1.0010 -0.000000 0.000000 
1 1 1    0    0   15 o   51.120   1.0900 -0.000000 0.000000 
1 1 1    0    0   16 o   50.430   1.0830 -0.000000 0.000000 
1 1 1    0    0   17 o   22.360   0.6898 -0.000000 0.000000 
1 1 1    0    0   18 f   11.070   1.1200 -0.000000 0.000000 
1 1 1    0    0   19 o   16.860   0.8591 -0.000000 0.000000 
1 1 1    0    0   20 o   5.7740   1.9250 -0.000000 0.000000 
1 1 1    0    0   21 o   5.2800   2.0100 -0.000000 0.000000 
1 1 1    0    0   22 o   65.360   1.4010 -0.000000 0.000000 
1 1 1    0    0   23 o   33.200   0.8860 -0.000000 0.000000 
1 1 1    0    0   24 o   26.060   0.9203 -0.000000 0.000000 
1 1 1    0    0   25 o   62.500   1.3600 -0.000000 0.000000 
1 1 1    0    0   26 o   5.1520   2.2080 -0.000000 0.000000 
1 1 1    0    0   27 o   11.120   2.0130 -0.000000 0.000000 
1 1 1    0    0   28 o   8.4940   2.4870 -0.000000 0.000000 
1 1 1    0    0   29 o   13.330   2.0360 -0.000000 0.000000 
1 1 1    0    0   30 o   7.8000   2.7230 -0.000000 0.000000 
1 1 1    0    0   31 o   15.370   1.8460 -0.000000 0.000000 
1 1 1    0    0   32 o   28.090   1.1540 -0.000000 0.000000 
1 1 1    0    0   33 o   12.460   2.3220 -0.000000 0.000000 
1 1 1    0    0   34 o   6.8450   2.7610 -0.000000 0.000000 
1 1 1    0    0   35 o   7.8060   2.8460 -0.000000 0.000000 
1 1 1    0    0   36 o   8.3260   2.8030 -0.000000 0.000000 
1 1 1    0    1    3 o  132.700   1.5970 -0.000000 0.000000 
1 1 1    0    1    4 o   30.850   0.4736 -0.000000 0.000000 
1 1 1    0    1    5 o   60.480   0.8975 -0.000000 0.000000 
1 1 1    0    1    6 o   12.730   0.3678 -0.000000 0.000000 
1 1 1    0    1    7 o   50.410   0.7526 -0.000000 0.000000 
1 1 1    0    1    8 o   11.410   0.4459 -0.000000 0.000000 
1 1 1    0    1    9 o   81.710   1.2100 -0.000000 0.000000 
1 1 1    0    1   10 o   77.850   1.1550 -0.000000 0.000000 
1 1 1    0    1   11 o   4.9040   1.1760 -0.000000 0.000000 
1 1 1    0    1   12 o   84.740   1.2570 -0.000000 0.000000 
1 1 1    0    1   13 o   9.7340   0.6832 -0.000000 0.000000 
1 1 1    0    1   14 o   52.010   0.7872 -0.000000 0.000000 
1 1 1    0    1   15 o   42.400   0.9265 -0.000000 0.000000 
1 1 1    0    1   16 o   27.210   0.7034 -0.000000 0.000000 
1 1 1    0    1   17 f   44.310   0.9761 -0.000000 0.000000 
1 1 1    0    1   18 o   4.1320   1.7520 -0.000000 0.000000 
1 1 1    0    1   19 o   37.270   0.8751 -0.000000 0.000000 
1 1 1    0    1   20 o   3.4730   1.6330 -0.000000 0.000000 
1 1 1    0    1   21 o   27.620   0.8207 -0.000000 0.000000 
1 1 1    0    1   22 o   20.630   0.6455 -0.000000 0.000000 
1 1 1    0    1   23 f   9.0270   1.4030 -0.000000 0.000000 
1 1 1    0    1   24 o   62.130   0.9520 -0.000000 0.000000 
1 1 1    0    1   25 o   3.3640   1.5860 -0.000000 0.000000 
1 1 1    0    1   26 o   27.400   0.7055 -0.000000 0.000000 
1 1 1    0    1   27 o   32.340   0.7011 -0.000000 0.000000 
1 1 1    0    1   28 o   37.500   0.7377 -0.000000 0.000000 
1 1 1    0    1   29 o   3.2990   1.6260 -0.000000 0.000000 
1 1 1    0    1   30 o   12.180   1.6580 -0.000000 0.000000 
1 1 1    0    1   31 o   7.3670   2.4000 -0.000000 0.000000 
1 1 1    0    1   32 o   8.8490   2.3140 -0.000000 0.000000 
1 1 1    0    1   33 o   7.7690   2.3960 -0.000000 0.000000 
1 1 1    0    1   34 f   25.880   0.9142 -0.000000 0.000000 
1 1 1    0    1   35 o   5.7410   2.2950 -0.000000 0.000000 
1 1 1    0    1   36 o   5.7600   2.3430 -0.000000 0.000000 
1 1 1    0    2    0 o   69.570   1.0310 0.000000 0.000000 
1 1 1    0    2    1 o   29.190   0.3359 -0.000000 0.000000 
1 1 1    0    2    2 o   26.370   0.3154 -0.000000 0.000000 
1 1 1    0    2    3 o   97.770   1.0220 -0.000000 0.000000 
1 1 1    0    2    4 o   17.770   0.4257 -0.000000 0.000000 
1 1 1    0    2    5 o   48.700   0.5207 -0.000000 0.000000 
1 1 1    0    2    6 o   21.130   0.3154 -0.000000 0.000000 
1 1 1    0    2    7 o   40.480   0.5116 -0.000000 0.000000 
1 1 1    0    2    8 o   62.490   0.9326 -0.000000 0.000000 
1 1 1    0    2    9 o  116.900   1.7270 -0.000000 0.000000 
1 1 1    0    2   10 o  123.200   1.8220 -0.000000 0.000000 
1 1 1    0    2   11 o  197.100   2.9090 -0.000000 0.000000 
1 1 1    0    2   12 o   5.1740   1.3380 -0.000000 0.000000 
1 1 1    0    2   13 o   89.990   1.3350 -0.000000 0.000000 
1 1 1    0    2   14 o   46.940   0.7192 -0.000000 0.000000 
1 1 1    0    2   15 o   9.3490   0.8812 -0.000000 0.000000 
1 1 1    0    2   16 o   6.8640   1.3480 -0.000000 0.000000 
1 1 1    0    2   17 o   9.4140   1.0420 -0.000000 0.000000 
1 1 1    0    2   18 o   7.7150   1.3750 -0.000000 0.000000 
1 1 1    0    2   19 o   13.890   0.8156 -0.000000 0.000000 
1 1 1    0    2   20 o   52.780   0.8211 -0.000000 0.000000 
1 1 1    0    2   21 o   6.8780   1.8070 -0.000000 0.000000 
1 1 1    0    2   22 o   6.5260   2.3050 -0.000000 0.000000 
1 1 1    0    2   23 o   48.890   1.1210 -0.000000 0.000000 
1 1 1    0    2   24 o   18.920   1.1910 -0.000000 0.000000 
1 1 1    0    2   25 o   18.810   1.2690 -0.000000 0.000000 
1 1 1    0    2   26 o   4.7600   2.1890 -0.000000 0.000000 
1 1 1    0    2   27 o   6.9540   2.6260 -0.000000 0.000000 
1 1 1    0    2   28 o   18.080   1.5670 -0.000000 0.000000 
1 1 1    0    2   29 o   21.380   0.9551 -0.000000 0.000000 
1 1 1    0    2   30 o   7.8800   2.3780 -0.000000 0.000000 
1 1 1    0    2   31 o   21.890   1.0330 -0.000000 0.000000 
1 1 1    0    2   32 o   11.520   1.9070 -0.000000 0.000000 
1 1 1    0    2   33 o   6.8500   2.4030 -0.000000 0.000000 
1 1 1    0    2   34 o   8.7580   2.3340 -0.000000 0.000000 
1 1 1    0    2   35 o   5.7620   2.3060 -0.000000 0.000000 
1 1 1    0    3    1 o   18.980   0.3435 -0.000000 0.000000 
1 1 1    0    3    2 o   6.4770   0.8112 -0.000000 0.000000 
1 1 1    0    3    3 o   47.080   0.5118 -0.000000 0.000000 
1 1 1    0    3    4 o  163.500   1.7050 -0.000000 0.000000 
1 1 1    0    3    5 o  185.600   1.9340 -0.000000 0.000000 
1 1 1    0    3    6 f   76.600   0.8060 -0.000000 0.000000 
1 1 1    0    3    7 o   79.490   0.8360 -0.000000 0.000000 
1 1 1    0    3    8 o   93.340   0.9786 -0.000000 0.000000 
1 1 1    0    3    9 o   57.570   0.7122 -0.000000 0.000000 
1 1 1    0    3   10 o   49.100   0.6192 -0.000000 0.000000 
1 1 1    0    3   11 o  113.200   1.3670 -0.000000 0.000000 
1 1 1    0    3   12 o   76.950   0.9370 -0.000000 0.000000 
1 1 1    0    3   13 o   14.100   0.5955 -0.000000 0.000000 
1 1 1    0    3   14 o   34.760   0.4918 -0.000000 0.000000 
1 1 1    0    3   15 o   21.900   0.5616 -0.000000 0.000000 
1 1 1    0    3   16 o   32.530   0.4856 -0.000000 0.000000 
1 1 1    0    3   17 f   39.210   0.5364 -0.000000 0.000000 
1 1 1    0    3   18 o   4.9350   1.7560 -0.000000 0.000000 
1 1 1    0    3   19 o   6.2490   1.7880 -0.000000 0.000000 
1 1 1    0    3   20 o   16.190   0.8419 -0.000000 0.000000 
1 1 1    0    3   21 o   36.730   0.6740 -0.000000 0.000000 
1 1 1    0    3   22 o   17.170   0.8859 -0.000000 0.000000 
1 1 1    0    3   23 f   37.780   0.7080 -0.000000 0.000000 
1 1 1    0    3   24 o   11.560   1.4600 -0.000000 0.000000 
1 1 1    0    3   25 o   5.2100   2.1140 -0.000000 0.000000 
1 1 1    0    3   26 o   53.680   0.8863 -0.000000 0.000000 
1 1 1    0    3   27 o   15.690   1.3120 -0.000000 0.000000 
1 1 1    0    3   28 o   27.600   1.2240 -0.000000 0.000000 
1 1 1    0    3   29 o   17.830   1.8580 -0.000000 0.000000 
1 1 1    0    3   30 o   17.370   1.9880 -0.000000 0.000000 
1 1 1    0    3   31 o   9.7290   2.4790 -0.000000 0.000000 
1 1 1    0    3   32 o   28.450   0.9358 -0.000000 0.000000 
1 1 1    0    3   33 o   20.970   1.1460 -0.000000 0.000000 
1 1 1    0    3   34 o   5.4860   2.3310 -0.000000 0.000000 
1 1 1    0    3   35 o   8.0840   2.0700 -0.000000 0.000000 
1 1 1    0    4    0 o   12.740   0.7754 0.000000 0.000000 
1 1 1    0    4    1 o   71.020   0.7522 -0.000000 0.000000 
1 1 1    0    4    2 o   30.890   0.4105 -0.000000 0.000000 
1 1 1    0    4    3 f   51.750   0.5657 -0.000000 0.000000 
1 1 1    0    4    4 o  145.300   1.5160 -0.000000 0.000000 
1 1 1    0    4    5 o   11.310   0.6682 -0.000000 0.000000 
1 1 1    0    4    6 o  145.700   1.5200 -0.000000 0.000000 
1 1 1    0    4    7 o   22.210   0.4294 -0.000000 0.000000 
1 1 1    0    4    8 f   79.030   0.8350 -0.000000 0.000000 
1 1 1    0    4    9 o   21.740   0.4434 -0.000000 0.000000 
1 1 1    0    4   10 f  126.000   1.3180 -0.000000 0.000000 
1 1 1    0    4   11 o   27.360   0.4253 -0.000000 0.000000 
1 1 1    0    4   12 o   80.210   0.9790 -0.000000 0.000000 
1 1 1    0    4   13 o   55.060   0.6946 -0.000000 0.000000 
1 1 1    0    4   14 f  107.700   1.3030 -0.000000 0.000000 
1 1 1    0    4   15 o   97.050   1.1770 -0.000000 0.000000 
1 1 1    0    4   16 o   46.110   0.6057 -0.000000 0.000000 
1 1 1    0    4   17 o   7.3140   1.4630 -0.000000 0.000000 
1 1 1    0    4   18 o   29.770   0.5131 -0.000000 0.000000 
1 1 1    0    4   19 o   28.020   0.6845 -0.000000 0.000000 
1 1 1    0    4   20 o   28.350   0.5456 -0.000000 0.000000 
1 1 1    0    4   21 o   14.890   0.8417 -0.000000 0.000000 
1 1 1    0    4   22 o   15.420   0.8747 -0.000000 0.000000 
1 1 1    0    4   23 o   6.6460   1.8950 -0.000000 0.000000 
1 1 1    0    4   24 o   44.420   0.6425 -0.000000 0.000000 
1 1 1    0    4   25 o   9.5650   1.6570 -0.000000 0.000000 
1 1 1    0    4   26 o   24.900   0.7173 -0.000000 0.000000 
1 1 1    0    4   27 o   8.4770   2.0320 -0.000000 0.000000 
1 1 1    0    4   28 o   14.880   1.2710 -0.000000 0.000000 
1 1 1    0    4   29 o   18.850   1.0550 -0.000000 0.000000 
1 1 1    0    4   30 o   15.160   1.3150 -0.000000 0.000000 
1 1 1    0    4   31 o   9.4970   2.1450 -0.000000 0.000000 
1 1 1    0    4   32 o   8.1630   2.6420 -0.000000 0.000000 
1 1 1    0    4   33 o   7.3120   2.6080 -0.000000 0.000000 
1 1 1    0    4   34 o   6.2360   2.4850 -0.000000 0.000000 
1 1 1    0    4   35 o   4.3920   2.0410 -0.000000 0.000000 
1 1 1    0    5    1 o   62.970   0.6792 -0.000000 0.000000 
1 1 1    0    5    2 o  100.100   1.0510 -0.000000 0.000000 
1 1 1    0    5    3 o   94.930   0.9986 -0.000000 0.000000 
1 1 1    0    5    4 o   68.390   0.7331 -0.000000 0.000000 
1 1 1    0    5    5 o   36.370   0.4666 -0.000000 0.000000 
1 1 1    0    5    6 o   35.530   0.4656 -0.000000 0.000000 
1 1 1    0    5    7 o   48.990   0.5549 -0.000000 0.000000 
1 1 1    0    5    8 o   23.760   0.4753 -0.000000 0.000000 
1 1 1    0    5    9 o   83.570   0.8846 -0.000000 0.000000 
1 1 1    0    5   10 o   90.120   0.9514 -0.000000 0.000000 
1 1 1    0    5   11 o   68.810   0.7391 -0.000000 0.000000 
1 1 1    0    5   12 o   5.4210   1.5980 -0.000000 0.000000 
1 1 1    0    5   13 o   26.810   0.5164 -0.000000 0.000000 
1 1 1    0    5   14 o   33.690   0.5382 -0.000000 0.000000 
1 1 1    0    5   15 o   24.090   0.5498 -0.000000 0.000000 
1 1 1    0    5   16 o   44.300   0.6061 -0.000000 0.000000 
1 1 1    0    5   17 f   15.070   0.9335 -0.000000 0.000000 
1 1 1    0    5   18 o   25.870   0.5789 -0.000000 0.000000 
1 1 1    0    5   19 o   12.480   1.2120 -0.000000 0.000000 
1 1 1    0    5   20 o   13.130   1.0210 -0.000000 0.000000 
1 1 1    0    5   21 o   29.740   0.5998 -0.000000 0.000000 
1 1 1    0    5   22 o   16.590   0.8602 -0.000000 0.000000 
1 1 1    0    5   23 o   58.050   0.7607 -0.000000 0.000000 
1 1 1    0    5   24 o   27.040   0.6783 -0.000000 0.000000 
1 1 1    0    5   25 o   19.780   0.8905 -0.000000 0.000000 
1 1 1    0    5   26 o   9.1360   1.9530 -0.000000 0.000000 
1 1 1    0    5   27 o   36.510   0.6732 -0.000000 0.000000 
1 1 1    0    5   28 o   17.910   1.0960 -0.000000 0.000000 
1 1 1    0    5   29 f   27.180   0.8162 -0.000000 0.000000 
1 1 1    0    5   30 o   13.000   1.6180 -0.000000 0.000000 
1 1 1    0    5   31 o   30.220   0.7905 -0.000000 0.000000 
1 1 1    0    5   32 o   28.080   0.8444 -0.000000 0.000000 
1 1 1    0    5   33 o   8.7440   2.2790 -0.000000 0.000000 
1 1 1    0    5   34 o   8.1850   2.3400 -0.000000 0.000000 
1 1 1    0    5   35 o   6.2900   2.3060 -0.000000 0.000000 
1 1 1    0    6    0 o  106.900   1.5890 0.000000 0.000000 
1 1 1    0    6    1 o   14.680   0.6957 -0.000000 0.000000 
1 1 1    0    6    2 o  124.900   1.3080 -0.000000 0.000000 
1 1 1    0    6    3 f   48.680   0.5654 -0.000000 0.000000 
1 1 1    0    6    4 o   41.580   0.5149 -0.000000 0.000000 
1 1 1    0    6    5 o   76.420   0.8162 -0.000000 0.000000 
1 1 1    0    6    6 f   6.7290   1.5480 -0.000000 0.000000 
1 1 1    0    6    7 f   29.630   0.4875 -0.000000 0.000000 
1 1 1    0    6    8 o   39.130   0.5059 -0.000000 0.000000 
1 1 1    0    6    9 o   7.2370   1.5090 -0.000000 0.000000 
1 1 1    0    6   10 o   58.870   0.6513 -0.000000 0.000000 
1 1 1    0    6   11 o   27.950   0.4943 -0.000000 0.000000 
1 1 1    0    6   12 f   60.730   0.6671 -0.000000 0.000000 
1 1 1    0    6   13 f   5.8320   1.7210 -0.000000 0.000000 
1 1 1    0    6   14 o   42.550   0.5265 -0.000000 0.000000 
1 1 1    0    6   15 o   9.0130   1.4020 -0.000000 0.000000 
1 1 1    0    6   16 o   42.960   0.6161 -0.000000 0.000000 
1 1 1    0    6   17 o   11.180   1.1890 -0.000000 0.000000 
1 1 1    0    6   18 f   23.550   0.6651 -0.000000 0.000000 
1 1 1    0    6   19 o   19.080   0.7942 -0.000000 0.000000 
1 1 1    0    6   20 o   26.560   0.6693 -0.000000 0.000000 
1 1 1    0    6   21 o   13.900   1.1260 -0.000000 0.000000 
1 1 1    0    6   22 o   29.410   0.6636 -0.000000 0.000000 
1 1 1    0    6   23 o   7.4010   2.0980 -0.000000 0.000000 
1 1 1    0    6   24 o   15.580   1.3850 -0.000000 0.000000 
1 1 1    0    6   25 o   25.720   0.7729 -0.000000 0.000000 
1 1 1    0    6   26 o   23.650   0.8534 -0.000000 0.000000 
1 1 1    0    6   27 o   44.750   0.7138 -0.000000 0.000000 
1 1 1    0    6   28 o   9.3030   2.1820 -0.000000 0.000000 
1 1 1    0    6   29 f   9.1290   2.2910 -0.000000 0.000000 
1 1 1    0    6   30 o   28.880   1.0610 -0.000000 0.000000 
1 1 1    0    6   31 o   12.290   1.8320 -0.000000 0.000000 
1 1 1    0    6   32 o   11.060   2.0650 -0.000000 0.000000 
1 1 1    0    6   33 o   7.2590   2.4580 -0.000000 0.000000 
1 1 1    0    6   34 o   7.2020   2.4420 -0.000000 0.000000 
1 1 1    0    6   35 f   13.150   2.0580 -0.000000 0.000000 
1 1 1    0    7    1 o   6.3920   1.7390 -0.000000 0.000000 
1 1 1    0    7    2 o   41.360   0.5303 -0.000000 0.000000 
1 1 1    0    7    3 o  128.500   1.3480 -0.000000 0.000000 
1 1 1    0    7    4 o   86.460   0.9194 -0.000000 0.000000 
1 1 1    0    7    5 o   61.160   0.6788 -0.000000 0.000000 
1 1 1    0    7    6 o   36.110   0.5154 -0.000000 0.000000 
1 1 1    0    7    7 o  105.100   1.2790 -0.000000 0.000000 
1 1 1    0    7    8 o   56.700   0.6426 -0.000000 0.000000 
1 1 1    0    7    9 o   30.450   0.5208 -0.000000 0.000000 
1 1 1    0    7   10 o   20.190   0.6351 -0.000000 0.000000 
1 1 1    0    7   11 o   47.730   0.5709 -0.000000 0.000000 
1 1 1    0    7   12 o   30.230   0.5294 -0.000000 0.000000 
1 1 1    0    7   13 o   48.160   0.5787 -0.000000 0.000000 
1 1 1    0    7   14 o   83.900   0.8963 -0.000000 0.000000 
1 1 1    0    7   15 o   28.620   0.5342 -0.000000 0.000000 
1 1 1    0    7   16 o   29.420   0.5358 -0.000000 0.000000 
1 1 1    0    7   17 o   12.010   1.2600 -0.000000 0.000000 
1 1 1    0    7   18 o   6.2470   2.2630 -0.000000 0.000000 
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1 1 1    0   20    8 o   9.4070   3.1250 -0.000000 0.000000 
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1 1 1    0   20   10 o   11.700   2.8920 -0.000000 0.000000 
1 1 1    0   20   11 o   13.270   2.6710 -0.000000 0.000000 
1 1 1    0   20   12 o   7.8900   3.0380 -0.000000 0.000000 
1 1 1    0   20   13 o   5.9500   2.6670 -0.000000 0.000000 
1 1 1    0   20   14 o   5.4900   2.5300 -0.000000 0.000000 
1 1 1    0   20   15 o   12.270   2.5690 -0.000000 0.000000 
1 1 1    0   20   16 o   7.1170   2.8360 -0.000000 0.000000 
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1 1 1    0   20   21 o   5.8740   2.5900 -0.000000 0.000000 
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1 1 1    0   21    2 o   10.920   3.0140 -0.000000 0.000000 
1 1 1    0   21    3 o   27.230   1.3160 -0.000000 0.000000 
1 1 1    0   21    4 o   18.800   1.8420 -0.000000 0.000000 
1 1 1    0   21    5 o   9.8440   3.1400 -0.000000 0.000000 
1 1 1    0   21    6 o   16.370   2.2080 -0.000000 0.000000 
1 1 1    0   21    7 o   10.920   3.0520 -0.000000 0.000000 
1 1 1    0   21    8 o   17.220   2.0590 -0.000000 0.000000 
1 1 1    0   21    9 o   27.270   1.3450 -0.000000 0.000000 
1 1 1    0   21   10 o   10.160   3.1120 -0.000000 0.000000 
1 1 1    0   21   11 o   8.9280   3.0840 -0.000000 0.000000 
1 1 1    0   21   12 o   7.7180   2.9810 -0.000000 0.000000 
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1 1 1    0   21   17 o   5.9250   2.6370 -0.000000 0.000000 
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1 1 1    0   21   19 o   7.2180   2.8520 -0.000000 0.000000 
1 1 1    0   22    0 o   6.7880   3.1510 0.000000 0.000000 
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1 1 1    0   22    3 o   16.270   2.3170 -0.000000 0.000000 
1 1 1    0   22    4 o   6.8950   2.9540 -0.000000 0.000000 
1 1 1    0   22    5 o   12.730   2.9110 -0.000000 0.000000 
1 1 1    0   22    6 o   4.8090   2.3320 -0.000000 0.000000 
1 1 1    0   22    7 o   12.650   2.8130 -0.000000 0.000000 
1 1 1    0   22    8 o   9.2710   3.1020 -0.000000 0.000000 
1 1 1    0   22    9 o   5.1540   2.4410 -0.000000 0.000000 
1 1 1    0   22   10 o   6.9820   2.8890 -0.000000 0.000000 
1 1 1    0   22   11 f   12.190   2.7540 -0.000000 0.000000 
1 1 1    0   22   12 o   7.2130   2.9030 -0.000000 0.000000 
1 1 1    0   22   13 o   7.2770   2.8940 -0.000000 0.000000 
1 1 1    0   22   14 o   6.8290   2.8110 -0.000000 0.000000 
1 1 1    0   22   15 o   11.370   2.6990 -0.000000 0.000000 
1 1 1    0   22   16 o   4.7810   2.2670 -0.000000 0.000000 
1 1 1    0   23    1 o   8.6720   3.1650 -0.000000 0.000000 
1 1 1    0   23    2 o   8.0580   3.0990 -0.000000 0.000000 
1 1 1    0   23    3 o   6.5770   2.8480 -0.000000 0.000000 
1 1 1    0   23    4 o   10.670   3.0900 -0.000000 0.000000 
1 1 1    0   23    5 o   16.990   2.1460 -0.000000 0.000000 
1 1 1    0   23    6 o   14.740   2.4590 -0.000000 0.000000 
1 1 1    0   23    7 o   11.860   2.9000 -0.000000 0.000000 
1 1 1    0   23    8 o   7.7780   3.0110 -0.000000 0.000000 
1 1 1    0   23    9 o   8.8380   3.0550 -0.000000 0.000000 
1 1 1    0   23   10 o   8.6160   3.0040 -0.000000 0.000000 
1 1 1    0   23   11 o   7.7270   2.9330 -0.000000 0.000000 
1 1 1    0   23   12 o   8.7910   2.8760 -0.000000 0.000000 
1 1 1    0   23   13 o   6.6440   2.7380 -0.000000 0.000000 
1 1 1    0   23   14 o   8.2040   2.9120 -0.000000 0.000000 
1 1 1    0   24    0 o   11.140   3.7750 0.000000 0.000000 
1 1 1    0   24    1 o   7.6250   3.0660 -0.000000 0.000000 
1 1 1    0   24    2 o   8.8050   3.1830 -0.000000 0.000000 
1 1 1    0   24    3 o   14.020   2.6790 -0.000000 0.000000 
1 1 1    0   24    4 o   9.9280   3.1560 -0.000000 0.000000 
1 1 1    0   24    5 o   4.5140   2.2170 -0.000000 0.000000 
1 1 1    0   24    6 o   4.6660   2.2700 -0.000000 0.000000 
1 1 1    0   24    7 o   20.010   1.6640 -0.000000 0.000000 
1 1 1    0   24    8 o   6.8950   2.8240 -0.000000 0.000000 
1 1 1    0   24    9 o   12.500   2.5490 -0.000000 0.000000 
1 1 1    0   24   10 o   8.1770   3.3240 -0.000000 0.000000 
1 1 1    0   25    1 o   8.9110   3.6500 -0.000000 0.000000 
1 1 1    1    0    7 o   47.420   1.0040 -0.000000 0.000000 
1 1 1    1    0    8 o   55.260   0.8235 -0.000000 0.000000 
1 1 1    1    0    9 o   59.880   0.8916 -0.000000 0.000000 
1 1 1    1    0   10 o   49.710   0.7454 -0.000000 0.000000 
1 1 1    1    0   11 o   97.440   1.4420 -0.000000 0.000000 
1 1 1    1    0   12 o   31.170   0.5058 -0.000000 0.000000 
1 1 1    1    0   13 o   64.020   0.9545 -0.000000 0.000000 
1 1 1    1    0   14 o   14.170   0.4925 -0.000000 0.000000 
1 1 1    1    0   15 o   10.510   0.6253 -0.000000 0.000000 
1 1 1    1    0   16 o   8.7790   0.8048 -0.000000 0.000000 
1 1 1    1    0   17 o   36.060   0.5857 -0.000000 0.000000 
1 1 1    1    0   18 o   43.990   0.6853 -0.000000 0.000000 
1 1 1    1    0   19 o   4.1970   1.5730 -0.000000 0.000000 
1 1 1    1    0   20 o   3.4200   1.4820 -0.000000 0.000000 
1 1 1    1    0   21 o   3.2910   1.4800 -0.000000 0.000000 
1 1 1    1    0   22 o   13.860   0.8566 -0.000000 0.000000 
1 1 1    1    0   23 o   27.210   0.6141 -0.000000 0.000000 
1 1 1    1    0   24 o   21.860   0.6804 -0.000000 0.000000 
1 1 1    1    0   26 o   29.910   0.6766 -0.000000 0.000000 
1 1 1    1    0   27 o   8.4520   1.8590 -0.000000 0.000000 
1 1 1    1    0   28 o   6.2800   2.1620 -0.000000 0.000000 
1 1 1    1    0   29 o   23.580   0.8613 -0.000000 0.000000 
1 1 1    1    0   30 o   9.0930   2.0720 -0.000000 0.000000 
1 1 1    1    0   31 o   5.3170   2.2040 -0.000000 0.000000 
1 1 1    1    0   32 f   11.500   1.7250 -0.000000 0.000000 
1 1 1    1    0   33 o   5.0420   2.1500 -0.000000 0.000000 
1 1 1    1    0   34 o   9.7270   2.1570 -0.000000 0.000000 
1 1 1    1    0   35 o   4.9170   2.1450 -0.000000 0.000000 
1 1 1    1    0   36 o   4.2050   1.9540 -0.000000 0.000000 
1 1 1    1    1    3 o  127.700   1.3310 -4.451000 2.662000 
1 1 1    1    1    4 o   64.970   0.5555 3.701000 1.111000 
1 1 1    1    1    5 o   77.130   0.9313      ?      ? 
1 1 1    1    1    6 o   64.220   0.6735 2.542000 1.347000 
1 1 1    1    1    7 o   32.990   0.3613 -2.999000 0.7225000 
1 1 1    1    1    8 o   38.920   0.4191 -0.8161000 0.8383000 
1 1 1    1    1    9 o  145.700   1.5230 -8.789000 3.046000 
1 1 1    1    1   10 o   77.300   0.8106 -1.125000 1.621000 
1 1 1    1    1   11 o   95.270   0.9979 3.838000 1.996000 
1 1 1    1    1   12 o   54.670   0.5805 4.706000 1.161000 
1 1 1    1    1   13 o  107.400   1.1240 -0.2399000 2.248000 
1 1 1    1    1   14 o   22.240   0.4599      ?      ? 
1 1 1    1    1   15 o   12.680   0.5882 1.808000 1.176000 
1 1 1    1    1   16 o   7.9260   0.9611 2.308000 1.922000 
1 1 1    1    1   17 o   51.210   0.7803 -0.4978000 1.561000 
1 1 1    1    1   18 o   28.580   0.5379 -0.4992000 1.076000 
1 1 1    1    1   19 o   8.9350   1.1580 -5.809000 2.316000 
1 1 1    1    1   20 o   23.520   0.5655 0.9983000 1.131000 
1 1 1    1    1   21 o   8.3070   1.3480 -0.2873000 2.696000 
1 1 1    1    1   22 o   27.020   0.4213 0.8660000 0.8426000 
1 1 1    1    1   23 o   38.130   0.4678 -0.7214000 0.9356000 
1 1 1    1    1   24 o   14.280   0.6730 2.292000 1.346000 
1 1 1    1    1   25 o   21.790   0.5148 -0.5579000 1.030000 
1 1 1    1    1   26 o   25.390   0.5090 2.278000 1.018000 
1 1 1    1    1   27 o   13.890   0.8377 0.9339000 1.675000 
1 1 1    1    1   28 f   20.780   0.6385 -2.033000 1.277000 
1 1 1    1    1   29 f   17.060   0.8234 -0.2559000 1.647000 
1 1 1    1    1   30 o   10.790   1.8800      ?      ? 
1 1 1    1    1   31 o   16.100   0.9322 -2.399000 1.864000 
1 1 1    1    1   32 o   10.260   1.4510 2.238000 2.902000 
1 1 1    1    1   33 o   11.310   1.3480 -2.223000 2.696000 
1 1 1    1    1   34 o   8.9090   1.5450 -4.449000 3.090000 
1 1 1    1    1   35 o   9.2720   1.3650 7.646000 2.730000 
1 1 1    1    1   36 o   5.8420   1.6200 2.103000 3.240000 
1 1 1    1    2    0 o  206.900   2.1540 -0.000000 0.000000 
1 1 1    1    2    1 o  106.700   0.8483 -6.180000 1.697000 
1 1 1    1    2    2 o   59.430   0.4430 -3.243000 0.8859000 
1 1 1    1    2    3 o   58.900   0.4396 1.215000 0.8791000 
1 1 1    1    2    4 o  150.300   1.1090 -3.288000 2.217000 
1 1 1    1    2    5 o  114.800   0.8473 -5.691000 1.695000 
1 1 1    1    2    6 o   50.160   0.4073 -3.227000 0.8146000 
1 1 1    1    2    7 o   6.4930   0.5970 -2.796000 1.194000 
1 1 1    1    2    8 o  147.600   1.4050 1.436000 2.809000 
1 1 1    1    2    9 o   80.730   0.7786 -5.203000 1.557000 
1 1 1    1    2   10 o   17.580   0.3138 -1.798000 0.6277000 
1 1 1    1    2   11 o   33.970   0.3559 4.329000 0.7117000 
1 1 1    1    2   12 o   82.820   0.8698 7.460000 1.740000 
1 1 1    1    2   13 o   64.790   0.6847 -0.7435000 1.369000 
1 1 1    1    2   14 o   61.400   0.6515 -2.000000 1.303000 
1 1 1    1    2   15 o   9.6010   0.6068 -0.2782000 1.214000 
1 1 1    1    2   16 o   29.230   0.3791 -1.734000 0.7581000 
1 1 1    1    2   17 o   50.730   0.5518 -0.6733000 1.104000 
1 1 1    1    2   18 o   25.830   0.3973 -3.794000 0.7946000 
1 1 1    1    2   19 o   15.640   0.5362 1.424000 1.072000 
1 1 1    1    2   20 o   20.220   0.4651 -0.1733000 0.9302000 
1 1 1    1    2   21 o   27.040   0.6299      ?      ? 
1 1 1    1    2   22 o   20.050   0.7526 1.816000 1.505000 
1 1 1    1    2   23 o   20.770   0.7818 -2.827000 1.564000 
1 1 1    1    2   24 o   28.400   0.7093 -6.164000 1.419000 
1 1 1    1    2   25 o   12.500   1.3590 -2.014000 2.719000 
1 1 1    1    2   26 o   21.160   0.8953 -2.500000 1.791000 
1 1 1    1    2   27 o   7.7250   1.8880 -0.9774000 3.777000 
1 1 1    1    2   28 o   28.490   0.8137 -1.739000 1.627000 
1 1 1    1    2   29 f   10.760   1.2760 -2.136000 2.551000 
1 1 1    1    2   30 o   5.9000   1.6330 -0.7206000 3.265000 
1 1 1    1    2   31 o   20.290   0.7671 -1.488000 1.534000 
1 1 1    1    2   32 o   9.4750   1.5680 -2.595000 3.137000 
1 1 1    1    2   33 o   12.010   1.2530 0.2628000 2.505000 
1 1 1    1    2   34 o   14.010   1.0740 2.805000 2.147000 
1 1 1    1    2   35 o   11.990   1.2480 -0.6834000 2.495000 
1 1 1    1    3    0 o   39.430   0.4398 -0.000000 0.000000 
1 1 1    1    3    1 o  120.400   0.8883 -0.9739000 1.777000 
1 1 1    1    3    2 o   61.090   0.4582 2.280000 0.9164000 
1 1 1    1    3    3 o   84.520   0.6272 -5.817000 1.254000 
1 1 1    1    3    4 o  140.300   1.0340 -1.399000 2.069000 
1 1 1    1    3    5 o   24.830   0.2567 0.4229000 0.5133000 
1 1 1    1    3    6 o   43.040   0.3390 1.591000 0.6780000 
1 1 1    1    3    7 o   84.260   0.6258 1.060000 1.252000 
1 1 1    1    3    8 o   49.380   0.4086 -6.964000 0.8172000 
1 1 1    1    3    9 o   57.330   0.4727 5.377000 0.9454000 
1 1 1    1    3   10 o   16.260   0.3801 -5.528000 0.7603000 
1 1 1    1    3   11 o   36.810   0.3545 -2.484000 0.7089000 
1 1 1    1    3   12 o   36.290   0.3549 -3.385000 0.7098000 
1 1 1    1    3   13 o   64.150   0.5582 -1.669000 1.116000 
1 1 1    1    3   14 o   18.220   0.3616 -0.5952000E-01 0.7232000 
1 1 1    1    3   15 o   59.430   0.9057      ?      ? 
1 1 1    1    3   16 o   50.870   0.5059 3.023000 1.012000 
1 1 1    1    3   17 o   39.990   0.4292 -2.795000 0.8584000 
1 1 1    1    3   18 o   17.870   0.4444 0.4813000 0.8888000 
1 1 1    1    3   19 o   45.500   0.4731 1.530000 0.9463000 
1 1 1    1    3   20 o   24.510   0.4177 -1.210000 0.8354000 
1 1 1    1    3   21 o   21.540   0.4723 -2.921000 0.9447000 
1 1 1    1    3   22 o   11.740   0.8029 -0.8331000 1.606000 
1 1 1    1    3   23 o   42.360   0.4796 -2.714000 0.9592000 
1 1 1    1    3   24 o   28.850   0.4704 -0.6082000 0.9408000 
1 1 1    1    3   25 o   9.6790   1.2140 -3.199000 2.429000 
1 1 1    1    3   26 o   22.720   0.5957 2.455000 1.191000 
1 1 1    1    3   27 o   28.980   0.5341 -0.4150000 1.068000 
1 1 1    1    3   28 f   20.660   0.9309 1.232000 1.862000 
1 1 1    1    3   29 f   33.690   0.7343 -0.1332000 1.469000 
1 1 1    1    3   30 o   26.630   0.8345 -0.5384000 1.669000 
1 1 1    1    3   31 o   11.470   1.7850 0.1362000 3.570000 
1 1 1    1    3   32 o   17.720   1.1690 -2.571000 2.337000 
1 1 1    1    3   33 o   35.770   0.7441 0.3342000 1.488000 
1 1 1    1    3   34 o   7.4360   1.9480 -0.9293000 3.896000 
1 1 1    1    3   35 o   4.5780   1.4020 0.2823000 2.804000 
1 1 1    1    4    0 o   44.520   0.4997 -0.000000 0.000000 
1 1 1    1    4    1 f   10.620   0.4583 0.6690000 0.9165000 
1 1 1    1    4    2 f   62.290   0.4729 -9.532000 0.9458000 
1 1 1    1    4    3 o   31.040   0.2937 -8.333000 0.5873000 
1 1 1    1    4    4 o   52.400   0.4058 -6.194000 0.8115000 
1 1 1    1    4    5 o   82.430   0.6155 -8.954000 1.231000 
1 1 1    1    4    6 f   26.230   0.2906 -1.060000 0.5811000 
1 1 1    1    4    7 o   94.420   0.7014 6.183000 1.403000 
1 1 1    1    4    8 o   70.270   0.5285 -3.632000 1.057000 
1 1 1    1    4    9 o   39.880   0.3348 -0.3900000 0.6696000 
1 1 1    1    4   10 o   95.760   0.7112 -1.130000 1.422000 
1 1 1    1    4   11 o   99.540   0.7967 -1.749000 1.593000 
1 1 1    1    4   12 o   79.140   0.6832 -2.543000 1.366000 
1 1 1    1    4   13 o   28.540   0.3471 1.620000 0.6941000 
1 1 1    1    4   14 o   21.450   0.3785 1.133000 0.7571000 
1 1 1    1    4   15 o   33.860   0.3617 2.564000 0.7233000 
1 1 1    1    4   16 o   37.490   0.3802 -1.960000 0.7604000 
1 1 1    1    4   17 o   21.240   0.4562 2.387000 0.9125000 
1 1 1    1    4   18 o   25.290   0.3729 -1.129000 0.7458000 
1 1 1    1    4   19 o   25.820   0.3868 1.589000 0.7736000 
1 1 1    1    4   20 o   29.020   0.3886 -1.552000 0.7772000 
1 1 1    1    4   21 o   25.830   0.4114 -2.047000 0.8227000 
1 1 1    1    4   22 o   38.800   0.4172 0.9309000 0.8343000 
1 1 1    1    4   23 o   17.190   0.5851 -0.1035000 1.170000 
1 1 1    1    4   24 o   18.990   0.5612 -1.028000 1.122000 
1 1 1    1    4   25 o   32.050   0.4483 -1.372000 0.8966000 
1 1 1    1    4   26 o   26.530   0.4927 -1.556000 0.9853000 
1 1 1    1    4   27 o   13.060   0.9437 0.8549000E-01 1.887000 
1 1 1    1    4   28 o   42.480   0.4879 0.7279000 0.9757000 
1 1 1    1    4   29 o   26.410   0.5661 0.6307000 1.132000 
1 1 1    1    4   30 o   12.910   1.1200 2.160000 2.240000 
1 1 1    1    4   31 o   8.8740   1.5410 -3.112000 3.081000 
1 1 1    1    4   32 o   8.3550   1.6820 5.094000 3.364000 
1 1 1    1    4   33 o   18.970   0.9354 2.991000 1.871000 
1 1 1    1    4   34 f   6.5990   1.6700 3.641000 3.340000 
1 1 1    1    4   35 o   6.7180   1.6690 -2.984000 3.338000 
1 1 1    1    5    0 o   32.120   0.4433 -0.000000 0.000000 
1 1 1    1    5    1 o  176.000   1.2980 3.954000 2.596000 
1 1 1    1    5    2 o   94.510   0.7034 6.076000 1.407000 
1 1 1    1    5    3 o   49.600   0.3942 -1.878000 0.7884000 
1 1 1    1    5    4 o   53.420   0.4193 3.302000 0.8386000 
1 1 1    1    5    5 o   53.550   0.4201 -0.7590000 0.8401000 
1 1 1    1    5    6 o   15.930   0.4426 5.356000 0.8852000 
1 1 1    1    5    7 o   44.500   0.3683 2.879000 0.7365000 
1 1 1    1    5    8 o   38.140   0.3376 -1.981000 0.6753000 
1 1 1    1    5    9 o   28.120   0.3265 -4.509000 0.6530000 
1 1 1    1    5   10 o   32.380   0.3319 -7.451000 0.6637000 
1 1 1    1    5   11 f   80.180   0.6018 1.163000 1.204000 
1 1 1    1    5   12 o   13.900   0.4996 -0.4932000 0.9991000 
1 1 1    1    5   13 o   59.930   0.5350 -2.448000 1.070000 
1 1 1    1    5   14 o   75.900   0.6175 0.9417000E-01 1.235000 
1 1 1    1    5   15 o   41.860   0.4138 1.422000 0.8275000 
1 1 1    1    5   16 o   30.520   0.3784 -0.8397000 0.7568000 
1 1 1    1    5   17 o   55.640   0.5052 -4.893000 1.010000 
1 1 1    1    5   18 o   12.070   0.7856 -3.477000 1.571000 
1 1 1    1    5   19 o   47.370   0.4572 -1.631000 0.9144000 
1 1 1    1    5   20 o   17.650   0.5784 5.415000 1.157000 
1 1 1    1    5   21 o   44.540   0.4489 2.074000 0.8978000 
1 1 1    1    5   22 o   37.470   0.4327 -1.585000 0.8653000 
1 1 1    1    5   23 o   22.280   0.5537 0.5518000 1.107000 
1 1 1    1    5   24 o   28.590   0.4664 0.6774000 0.9329000 
1 1 1    1    5   25 o   19.200   0.6334 1.205000 1.267000 
1 1 1    1    5   26 o   19.250   0.6631 1.689000 1.326000 
1 1 1    1    5   27 o   35.350   0.4839 -0.8334000 0.9677000 
1 1 1    1    5   28 o   24.900   0.5854 0.3959000 1.171000 
1 1 1    1    5   29 o   24.100   0.6295 -0.3200000 1.259000 
1 1 1    1    5   30 o   9.9000   1.4730 3.169000 2.946000 
1 1 1    1    5   31 o   14.780   0.9934 0.5913000 1.987000 
1 1 1    1    5   32 o   34.360   0.5371 1.596000 1.074000 
1 1 1    1    5   33 o   22.650   0.6621 -0.7853000 1.324000 
1 1 1    1    5   34 o   4.6960   1.4380 -2.425000 2.876000 
1 1 1    1    5   35 o   6.0310   1.5750 -2.031000 3.149000 
1 1 1    1    6    0 o   37.570   0.4884 -0.000000 0.000000 
1 1 1    1    6    1 o   19.390   0.3991 2.288000 0.7983000 
1 1 1    1    6    2 o  104.000   0.7738 1.326000 1.548000 
1 1 1    1    6    3 o   22.770   0.3611 -0.9785000 0.7222000 
1 1 1    1    6    4 o  111.800   0.8305 5.628000 1.661000 
1 1 1    1    6    5 o   80.690   0.6078 0.1248000 1.216000 
1 1 1    1    6    6 o   31.310   0.3406 0.3568000 0.6811000 
1 1 1    1    6    7 o   48.310   0.4002 -7.662000 0.8003000 
1 1 1    1    6    8 o   35.210   0.3453 -0.5134000 0.6905000 
1 1 1    1    6    9 o  100.200   0.7465 -4.588000 1.493000 
1 1 1    1    6   10 o   67.570   0.5171 -2.191000 1.034000 
1 1 1    1    6   11 o   26.700   0.3569 0.9493000 0.7138000 
1 1 1    1    6   12 o   40.800   0.3638 3.149000 0.7276000 
1 1 1    1    6   13 o   20.930   0.4227 7.438000 0.8454000 
1 1 1    1    6   14 o   44.590   0.3822 -2.055000 0.7644000 
1 1 1    1    6   15 o   40.030   0.3925 -0.2897000 0.7850000 
1 1 1    1    6   16 o   35.400   0.4142 -7.569000 0.8284000 
1 1 1    1    6   17 o   19.980   0.5036 2.146000 1.007000 
1 1 1    1    6   18 o   25.390   0.5080 -2.255000 1.016000 
1 1 1    1    6   19 o   5.8250   1.3060 -3.381000 2.613000 
1 1 1    1    6   20 o   31.490   0.5005 -7.261000 1.001000 
1 1 1    1    6   21 o   18.220   0.6819 -0.3204000 1.364000 
1 1 1    1    6   22 o   16.560   0.7680 1.769000 1.536000 
1 1 1    1    6   23 o   13.470   0.8979 -3.645000 1.796000 
1 1 1    1    6   24 o   58.670   0.5550 -0.1530000 1.110000 
1 1 1    1    6   25 o   22.700   0.5998 -2.728000 1.200000 
1 1 1    1    6   26 o   16.380   0.8243 -1.705000 1.649000 
1 1 1    1    6   27 o   15.640   1.1190 5.352000 2.238000 
1 1 1    1    6   28 o   25.560   0.6109 -0.5562000 1.222000 
1 1 1    1    6   29 o   6.5020   1.6910 0.9123000 3.381000 
1 1 1    1    6   30 o   42.390   0.5253 -1.118000 1.051000 
1 1 1    1    6   31 o   7.8150   1.7320 1.297000 3.464000 
1 1 1    1    6   32 o   12.720   1.2970 3.099000 2.594000 
1 1 1    1    6   33 o   12.220   1.2720 -1.514000 2.544000 
1 1 1    1    6   34 o   7.1440   1.6560 2.673000 3.312000 
1 1 1    1    6   35 o   9.7500   1.8590 -0.5550000 3.718000 
1 1 1    1    7    0 o   46.930   0.5633 -0.000000 0.000000 
1 1 1    1    7    1 o  113.600   0.8445 0.3787000 1.689000 
1 1 1    1    7    2 o  122.400   0.9076 5.303000 1.815000 
1 1 1    1    7    3 o   69.230   0.5320 -2.130000 1.064000 
1 1 1    1    7    4 o   37.360   0.3646 4.322000 0.7291000 
1 1 1    1    7    5 o   94.580   0.7078 -2.222000 1.416000 
1 1 1    1    7    6 o   59.090   0.4673 -5.802000 0.9345000 
1 1 1    1    7    7 o   24.600   0.3988 -3.967000 0.7975000 
1 1 1    1    7    8 o   44.240   0.3892 -1.216000 0.7784000 
1 1 1    1    7    9 o   78.880   0.5979 -2.884000 1.196000 
1 1 1    1    7   10 o   19.740   0.4549 -1.240000 0.9098000 
1 1 1    1    7   11 o   66.740   0.5152 2.178000 1.030000 
1 1 1    1    7   12 o   23.850   0.4065 1.311000 0.8130000 
1 1 1    1    7   13 o   13.490   0.6851 -4.556000 1.370000 
1 1 1    1    7   14 o   46.590   0.4044 -0.9292000 0.8089000 
1 1 1    1    7   15 o   19.260   0.4777 -2.980000 0.9555000 
1 1 1    1    7   16 o   21.770   0.4388 -0.9904000 0.8777000 
1 1 1    1    7   17 o   21.060   0.5232 -6.712000 1.046000 
1 1 1    1    7   18 o   45.330   0.4695 0.9754000 0.9390000 
1 1 1    1    7   19 o   25.270   0.5091 1.770000 1.018000 
1 1 1    1    7   20 o   50.060   0.5034 -0.8237000 1.007000 
1 1 1    1    7   21 o   31.960   0.5389 0.6272000 1.078000 
1 1 1    1    7   22 o   17.540   0.8262 1.563000 1.652000 
1 1 1    1    7   23 o   24.830   0.5698 -1.945000 1.140000 
1 1 1    1    7   24 o   14.590   1.0410 0.5601000 2.082000 
1 1 1    1    7   25 o   11.640   1.2650 -1.500000 2.530000 
1 1 1    1    7   26 o   28.190   0.5925 2.080000 1.185000 
1 1 1    1    7   27 o   18.860   0.8613 -0.6409000 1.723000 
1 1 1    1    7   28 o   24.500   0.6945 1.418000 1.389000 
1 1 1    1    7   29 o   9.8550   1.6290 -1.043000 3.258000 
1 1 1    1    7   30 o   10.650   1.5350 -2.744000 3.071000 
1 1 1    1    7   31 o   19.620   0.8299 -0.2399000 1.660000 
1 1 1    1    7   32 o   8.3720   1.7160 1.277000 3.431000 
1 1 1    1    7   33 o   11.330   1.4120 4.004000 2.824000 
1 1 1    1    7   34 o   6.2980   1.7070 0.1862000 3.414000 
1 1 1    1    8    0 o   73.560   0.7988 -0.000000 0.000000 
1 1 1    1    8    1 o   67.670   0.5269 7.237000 1.054000 
1 1 1    1    8    2 o   80.810   0.6133 2.845000 1.227000 
1 1 1    1    8    3 o   33.070   0.3756 0.8444000E-01 0.7512000 
1 1 1    1    8    4 o   28.180   0.3963 -3.456000 0.7926000 
1 1 1    1    8    5 o   12.020   0.7635 -2.483000 1.527000 
1 1 1    1    8    6 o   16.310   0.5761 -2.339000 1.152000 
1 1 1    1    8    7 o   19.190   0.5127 4.584000 1.025000 
1 1 1    1    8    8 f   18.510   0.5334 5.913000 1.067000 
1 1 1    1    8    9 o   28.200   0.4007 2.305000 0.8015000 
1 1 1    1    8   10 o   44.790   0.3993 0.4859000 0.7986000 
1 1 1    1    8   11 o   22.710   0.4608 3.638000 0.9217000 
1 1 1    1    8   12 o   27.080   0.4220 0.4017000 0.8441000 
1 1 1    1    8   13 o   40.870   0.3973 3.020000 0.7946000 
1 1 1    1    8   14 o   22.140   0.5188 -0.7165000E-01 1.038000 
1 1 1    1    8   15 o   12.130   0.8280 -2.838000 1.656000 
1 1 1    1    8   16 o   49.420   0.4252 -2.999000 0.8505000 
1 1 1    1    8   17 o   20.490   0.6144 -3.625000 1.229000 
1 1 1    1    8   18 o   20.340   0.6732 -0.4240000 1.346000 
1 1 1    1    8   19 o   60.440   0.5321 1.078000 1.064000 
1 1 1    1    8   20 o   11.020   1.4020 5.967000 2.804000 
1 1 1    1    8   21 o   42.140   0.5635 -2.183000 1.127000 
1 1 1    1    8   22 f   14.260   0.9820 0.8481000 1.964000 
1 1 1    1    8   23 o   37.770   0.5147 0.8357000 1.029000 
1 1 1    1    8   24 o   12.080   1.2600 1.246000 2.520000 
1 1 1    1    8   25 o   13.600   1.1490 -0.6059000 2.298000 
1 1 1    1    8   26 f   20.460   0.8270 1.601000 1.654000 
1 1 1    1    8   27 o   11.350   1.5330 -4.778000 3.065000 
1 1 1    1    8   28 o   5.9940   1.7350 0.5649000 3.470000 
1 1 1    1    8   29 o   12.750   1.3950 -0.9324000 2.790000 
1 1 1    1    8   30 o   10.840   1.6270 -4.240000 3.254000 
1 1 1    1    8   31 o   9.3340   1.5930 -5.925000 3.186000 
1 1 1    1    8   32 o   14.420   1.1660 -1.726000 2.333000 
1 1 1    1    8   33 o   16.070   0.9895 0.4438000 1.979000 
1 1 1    1    8   34 o   9.0470   1.6740 1.817000 3.349000 
1 1 1    1    9    0 f   25.070   0.6207 -0.000000 0.000000 
1 1 1    1    9    1 f   59.620   0.4817 -4.832000 0.9634000 
1 1 1    1    9    2 o   42.100   0.4407 -6.064000 0.8814000 
1 1 1    1    9    3 o   24.840   0.4493 -3.818000 0.8986000 
1 1 1    1    9    4 o   7.6860   1.2630 3.590000 2.526000 
1 1 1    1    9    5 o   15.570   0.6586 -2.103000 1.317000 
1 1 1    1    9    6 o   42.690   0.4349 2.608000 0.8697000 
1 1 1    1    9    7 o   61.700   0.5312 4.622000 1.062000 
1 1 1    1    9    8 o   31.530   0.4055 0.6229000 0.8109000 
1 1 1    1    9    9 o   20.290   0.5207 -0.2294000 1.041000 
1 1 1    1    9   10 f   31.190   0.4084 -2.025000 0.8169000 
1 1 1    1    9   11 f   47.720   0.4251 -0.2273000 0.8502000 
1 1 1    1    9   12 o   44.450   0.4195 2.579000 0.8389000 
1 1 1    1    9   13 o   25.280   0.5100 -0.5376000 1.020000 
1 1 1    1    9   14 o   11.680   1.0060 -4.610000 2.012000 
1 1 1    1    9   15 o   26.570   0.4580 -1.633000 0.9161000 
1 1 1    1    9   16 o   60.890   0.4953 0.5297000 0.9906000 
1 1 1    1    9   17 o   39.430   0.4224 -2.174000 0.8448000 
1 1 1    1    9   18 o   25.350   0.5139 -2.839000 1.028000 
1 1 1    1    9   19 o   25.150   0.5220 0.7112000 1.044000 
1 1 1    1    9   20 o   14.890   0.9838 -1.490000 1.968000 
1 1 1    1    9   21 o   15.330   1.1840 3.816000 2.368000 
1 1 1    1    9   22 o   33.150   0.5635 -0.9225000E-01 1.127000 
1 1 1    1    9   23 o   23.210   0.8911 5.864000 1.782000 
1 1 1    1    9   24 o   27.710   0.6607 2.668000 1.321000 
1 1 1    1    9   25 o   35.630   0.5867 0.8491000E-01 1.173000 
1 1 1    1    9   26 o   7.7970   1.8550 -2.231000 3.710000 
1 1 1    1    9   27 o   28.110   0.7063 1.516000 1.413000 
1 1 1    1    9   28 o   27.170   0.7207 -0.1104000 1.441000 
1 1 1    1    9   29 o   24.930   0.7830 -1.147000 1.566000 
1 1 1    1    9   30 o   9.7400   1.7230 -5.738000 3.446000 
1 1 1    1    9   31 o   5.4480   1.7040 0.4066000E-02 3.407000 
1 1 1    1    9   32 o   12.710   1.4150 0.3446000 2.829000 
1 1 1    1    9   33 o   4.6440   1.5190 -0.4107000 3.038000 
1 1 1    1   10    0 o   13.210   1.2280 -0.000000 0.000000 
1 1 1    1   10    1 o   41.610   0.4193 -1.176000 0.8386000 
1 1 1    1   10    2 o   62.200   0.5052 -1.050000 1.010000 
1 1 1    1   10    3 o   7.6970   1.3670 -2.724000 2.735000 
1 1 1    1   10    4 o   40.220   0.4192 0.2011000 0.8385000 
1 1 1    1   10    5 o   43.230   0.4264 -0.7927000 0.8528000 
1 1 1    1   10    6 o   17.500   0.6674 2.819000 1.335000 
1 1 1    1   10    7 o   49.690   0.4424 -2.736000 0.8847000 
1 1 1    1   10    8 o   27.870   0.4580 -4.316000 0.9160000 
1 1 1    1   10    9 o   62.830   0.5066 -0.8849000 1.013000 
1 1 1    1   10   10 o   59.420   0.4887 0.7235000 0.9773000 
1 1 1    1   10   11 o   26.810   0.5058 -2.261000 1.012000 
1 1 1    1   10   12 o   9.7420   1.3400 0.1315000 2.679000 
1 1 1    1   10   13 o   15.270   0.7505 -1.071000 1.501000 
1 1 1    1   10   14 o   19.130   0.6237 -2.662000 1.247000 
1 1 1    1   10   15 o   22.640   0.5383 1.475000 1.077000 
1 1 1    1   10   16 o   28.590   0.5203 -2.086000 1.041000 
1 1 1    1   10   17 o   54.680   0.4783 -3.504000 0.9566000 
1 1 1    1   10   18 o   52.310   0.5161 -1.669000 1.032000 
1 1 1    1   10   19 o   20.880   0.7247 1.379000 1.449000 
1 1 1    1   10   20 o   8.6040   1.6580 -0.8404000 3.316000 
1 1 1    1   10   21 o   6.6100   1.5430 -5.294000 3.086000 
1 1 1    1   10   22 o   4.7630   1.5240 0.7327000E-01 3.047000 
1 1 1    1   10   23 o   24.810   0.7460 -1.001000 1.492000 
1 1 1    1   10   24 o   32.780   0.7856 -0.7755000 1.571000 
1 1 1    1   10   25 o   14.210   1.4050 -3.471000 2.810000 
1 1 1    1   10   26 o   18.200   1.0860 0.1892000 2.171000 
1 1 1    1   10   27 o   18.810   1.0890 2.641000 2.178000 
1 1 1    1   10   28 o   8.4080   1.8660 4.485000 3.731000 
1 1 1    1   10   29 o   10.260   1.8770 -1.310000 3.754000 
1 1 1    1   10   30 o   7.5710   1.8410 -4.099000 3.682000 
1 1 1    1   10   31 o   10.740   1.8010 -0.3416000 3.602000 
1 1 1    1   10   32 o   8.6090   1.8700 -2.362000 3.740000 
1 1 1    1   10   33 o   5.2600   1.6560 -1.685000 3.313000 
1 1 1    1   11    0 o   13.150   1.3040 -0.000000 0.000000 
1 1 1    1   11    1 o   30.390   0.4656 2.084000 0.9312000 
1 1 1    1   11    2 o   12.240   1.0270 3.975000 2.053000 
1 1 1    1   11    3 o   16.510   0.7376 -1.293000 1.475000 
1 1 1    1   11    4 o   43.030   0.4371 -4.301000 0.8742000 
1 1 1    1   11    5 o   31.090   0.5020 1.123000 1.004000 
1 1 1    1   11    6 o   19.310   0.6492 -1.193000 1.298000 
1 1 1    1   11    7 f   42.650   0.4371 0.7444000 0.8743000 
1 1 1    1   11    8 o   49.650   0.4548 1.426000 0.9096000 
1 1 1    1   11    9 o   29.120   0.4839 2.384000 0.9677000 
1 1 1    1   11   10 f   11.230   1.1860 0.9739000 2.372000 
1 1 1    1   11   11 o   32.200   0.4586 0.2331000 0.9171000 
1 1 1    1   11   12 o   8.4330   1.3890 4.066000 2.778000 
1 1 1    1   11   13 o   11.650   1.2500 -0.4185000 2.501000 
1 1 1    1   11   14 o   18.590   0.6981 -0.2994000E-01 1.396000 
1 1 1    1   11   15 o   44.120   0.4551 1.628000 0.9102000 
1 1 1    1   11   16 o   52.230   0.5182 4.547000 1.036000 
1 1 1    1   11   17 o   10.870   1.3560 -6.521000 2.711000 
1 1 1    1   11   18 o   47.110   0.4839 3.074000 0.9678000 
1 1 1    1   11   19 o   35.670   0.5516 -0.4083000 1.103000 
1 1 1    1   11   20 o   33.370   0.5324 -0.8083000E-01 1.065000 
1 1 1    1   11   21 f   21.630   0.7542 -0.3317000 1.508000 
1 1 1    1   11   22 o   29.580   0.6020 1.072000 1.204000 
1 1 1    1   11   23 o   27.950   1.2730      ?      ? 
1 1 1    1   11   24 o   11.990   1.8150 -6.264000 3.630000 
1 1 1    1   11   25 o   10.630   1.8550 1.468000 3.710000 
1 1 1    1   11   26 o   16.350   1.3280 -4.723000 2.655000 
1 1 1    1   11   27 o   14.770   1.4930 3.551000 2.985000 
1 1 1    1   11   28 o   7.0180   1.9800 0.4269000 3.961000 
1 1 1    1   11   29 o   12.830   1.6690 3.265000 3.338000 
1 1 1    1   11   30 o   5.1950   1.7130 0.6444000 3.425000 
1 1 1    1   11   31 o   15.880   1.3220 0.5170000 2.645000 
1 1 1    1   11   32 o   8.7720   1.5480 -8.111000 3.096000 
1 1 1    1   12    0 o   9.5520   1.9420 -0.000000 0.000000 
1 1 1    1   12    1 o   25.180   0.5501 0.5760000 1.100000 
1 1 1    1   12    2 o   28.490   0.5102 -2.079000 1.020000 
1 1 1    1   12    3 o   21.570   0.6257 -2.591000 1.251000 
1 1 1    1   12    4 o   45.000   0.4578 -3.025000 0.9157000 
1 1 1    1   12    5 o   36.400   0.4657 -4.427000 0.9314000 
1 1 1    1   12    6 o   33.420   0.4755 2.442000 0.9511000 
1 1 1    1   12    7 o   45.350   0.4589 0.9386000E-01 0.9177000 
1 1 1    1   12    8 o   24.860   0.5700 -2.465000 1.140000 
1 1 1    1   12    9 o   44.330   0.4573 -0.9038000 0.9146000 
1 1 1    1   12   10 o   37.560   0.4667 -2.734000 0.9335000 
1 1 1    1   12   11 o   15.380   0.8817 0.9321000 1.763000 
1 1 1    1   12   12 o   13.520   1.1170 -0.4936000 2.235000 
1 1 1    1   12   13 o   12.240   1.2140 -6.868000 2.427000 
1 1 1    1   12   14 o   47.990   0.4715 -0.8385000E-02 0.9430000 
1 1 1    1   12   15 o   28.870   0.5481 -2.382000 1.096000 
1 1 1    1   12   16 o   66.740   0.5534 1.714000 1.107000 
1 1 1    1   12   17 o   6.8200   1.7210 0.3666000 3.443000 
1 1 1    1   12   18 o   12.490   1.2780 2.064000 2.556000 
1 1 1    1   12   19 o   15.060   1.0810 1.899000 2.162000 
1 1 1    1   12   20 o   9.3450   1.6940 2.279000 3.388000 
1 1 1    1   12   21 o   41.620   0.5305 -2.357000 1.061000 
1 1 1    1   12   22 o   16.900   1.0640 0.1009000E-01 2.129000 
1 1 1    1   12   23 o   6.9150   1.8640 0.1323000 3.728000 
1 1 1    1   12   24 o   33.180   0.6987 -0.2016000 1.397000 
1 1 1    1   12   25 o   19.740   1.0740 -2.561000 2.148000 
1 1 1    1   12   26 o   10.710   1.8840 -5.688000 3.768000 
1 1 1    1   12   27 o   10.290   2.0120 1.156000 4.025000 
1 1 1    1   12   28 o   7.6210   2.0330 0.9943000 4.066000 
1 1 1    1   12   29 o   14.790   1.4450 -0.7929000 2.890000 
1 1 1    1   12   30 o   15.280   1.4510 4.019000 2.901000 
1 1 1    1   12   31 o   7.5290   1.8090 4.992000 3.617000 
1 1 1    1   13    0 o   32.340   0.7279 -0.000000 0.000000 
1 1 1    1   13    1 f   44.610   0.4735 2.459000 0.9470000 
1 1 1    1   13    2 o   20.660   0.7121 3.357000 1.424000 
1 1 1    1   13    3 o   26.250   0.5704 1.141000 1.141000 
1 1 1    1   13    4 o   12.220   1.1660 1.472000 2.331000 
1 1 1    1   13    5 o   69.280   0.6129 -1.160000 1.226000 
1 1 1    1   13    6 f   47.350   0.5205 -2.321000 1.041000 
1 1 1    1   13    7 o   16.510   0.8828 -0.2575000E-01 1.766000 
1 1 1    1   13    8 o   42.090   0.4875 -2.471000 0.9749000 
1 1 1    1   13    9 o   41.080   0.4887 -1.235000 0.9773000 
1 1 1    1   13   10 o   40.190   0.4867 -0.5245000 0.9734000 
1 1 1    1   13   11 o   20.920   0.7156 0.7375000 1.431000 
1 1 1    1   13   12 o   27.760   0.5764 -1.492000 1.153000 
1 1 1    1   13   13 o   21.280   0.7723 0.8974000 1.545000 
1 1 1    1   13   14 f   25.630   0.6240 2.160000 1.248000 
1 1 1    1   13   15 o   34.690   0.5255 0.9707000E-01 1.051000 
1 1 1    1   13   16 o   11.200   1.4670 -4.697000 2.934000 
1 1 1    1   13   17 o   9.1670   1.4800 -7.564000 2.961000 
1 1 1    1   13   18 o   11.290   1.5230 3.351000 3.046000 
1 1 1    1   13   19 o   25.820   0.6922 0.5336000 1.384000 
1 1 1    1   13   20 o   13.910   1.3460 3.901000 2.692000 
1 1 1    1   13   21 o   10.610   1.8820 -0.3234000 3.765000 
1 1 1    1   13   22 o   8.6750   1.9590 1.902000 3.919000 
1 1 1    1   13   23 o   14.010   1.4480 2.209000 2.896000 
1 1 1    1   13   24 o   21.590   0.9461 1.532000 1.892000 
1 1 1    1   13   25 o   11.930   1.7560 -2.494000 3.512000 
1 1 1    1   13   26 o   14.530   1.5490 0.5972000 3.098000 
1 1 1    1   13   27 o   20.950   1.1140 1.348000 2.228000 
1 1 1    1   13   28 o   25.830   0.8826 -0.5901000E-02 1.765000 
1 1 1    1   13   29 o   10.670   2.1830 3.447000 4.366000 
1 1 1    1   13   30 o   7.5880   1.8000 -5.068000 3.600000 
1 1 1    1   14    0 o   7.1820   2.4540 -0.000000 0.000000 
1 1 1    1   14    1 o   15.290   1.0020 0.7877000 2.004000 
1 1 1    1   14    2 o   14.980   1.0330 0.5487000 2.065000 
1 1 1    1   14    3 o   30.460   0.5678 -0.7030000 1.136000 
1 1 1    1   14    4 o   27.730   0.6063 -4.644000 1.213000 
1 1 1    1   14    5 o   24.960   0.6547 2.600000 1.309000 
1 1 1    1   14    6 o   13.860   1.1640 3.416000 2.327000 
1 1 1    1   14    7 o   45.200   0.5001 -0.6281000 1.000000 
1 1 1    1   14    8 o   37.520   0.5236 -3.746000 1.047000 
1 1 1    1   14    9 o   10.170   1.6050 3.905000 3.210000 
1 1 1    1   14   10 o   29.190   0.6456 -0.5016000 1.291000 
1 1 1    1   14   11 o   55.780   0.5207 1.802000 1.041000 
1 1 1    1   14   12 o   76.230   0.6166 2.636000 1.233000 
1 1 1    1   14   13 o   40.530   0.5160 -0.9902000 1.032000 
1 1 1    1   14   14 o   26.660   0.7213 -0.4030000 1.443000 
1 1 1    1   14   15 o   10.880   1.5330 -7.286000 3.066000 
1 1 1    1   14   16 o   17.160   1.0340 3.038000 2.067000 
1 1 1    1   14   17 o   18.900   0.9665 -4.279000 1.933000 
1 1 1    1   14   18 o   13.730   1.3380 1.088000 2.676000 
1 1 1    1   14   19 o   12.310   1.5400 -0.3312000 3.080000 
1 1 1    1   14   20 o   13.850   1.5380 0.6341000 3.076000 
1 1 1    1   14   21 o   5.7550   1.8210 -0.5981000 3.641000 
1 1 1    1   14   22 o   10.240   1.9610 -1.269000 3.921000 
1 1 1    1   14   23 o   16.230   1.3660 5.894000 2.731000 
1 1 1    1   14   24 o   11.840   1.7750 0.8153000 3.549000 
1 1 1    1   14   25 o   10.730   1.8790 -2.014000 3.759000 
1 1 1    1   14   26 o   6.5210   1.8240 2.928000 3.648000 
1 1 1    1   14   27 o   8.3610   1.7470 7.285000 3.493000 
1 1 1    1   14   28 o   8.6010   1.8730 -5.821000 3.746000 
1 1 1    1   14   29 o   8.1560   1.8190 -5.639000 3.638000 
1 1 1    1   15    0 o   26.070   0.9781 -0.000000 0.000000 
1 1 1    1   15    1 o   28.760   0.6348 3.326000 1.270000 
1 1 1    1   15    2 o   18.070   0.9548 -2.115000 1.910000 
1 1 1    1   15    3 o   57.360   0.5365 1.560000 1.073000 
1 1 1    1   15    4 o   30.070   0.6160 0.8199000 1.232000 
1 1 1    1   15    5 o   52.620   0.5261 0.8612000 1.052000 
1 1 1    1   15    6 o   46.530   0.5241 0.2832000E-01 1.048000 
1 1 1    1   15    7 o   23.050   0.7699 0.4299000 1.540000 
1 1 1    1   15    8 o   6.4340   1.7440 2.338000 3.488000 
1 1 1    1   15    9 o   17.210   1.0330 2.379000 2.066000 
1 1 1    1   15   10 o   36.930   0.5653 2.328000 1.131000 
1 1 1    1   15   11 o   40.250   0.5421 -1.786000 1.084000 
1 1 1    1   15   12 o   26.750   0.7604 -1.405000 1.521000 
1 1 1    1   15   13 o   34.310   0.5899 -0.4856000 1.180000 
1 1 1    1   15   14 o   27.110   0.8389 0.8482000 1.678000 
1 1 1    1   15   15 f   17.190   1.0840 -3.112000 2.168000 
1 1 1    1   15   16 o   13.220   1.4600 2.053000 2.920000 
1 1 1    1   15   17 o   11.700   1.9530 -0.9960000 3.905000 
1 1 1    1   15   18 o   29.970   0.7101 0.7861000E-01 1.420000 
1 1 1    1   15   19 o   22.200   0.9270 -0.7998000 1.854000 
1 1 1    1   15   20 o   26.510   0.8040 1.688000 1.608000 
1 1 1    1   15   21 o   6.3660   1.7890 -3.993000 3.578000 
1 1 1    1   15   22 o   9.4070   2.1890 -0.9459000 4.378000 
1 1 1    1   15   23 o   23.190   0.9482 2.964000 1.896000 
1 1 1    1   15   24 o   12.370   1.7370 1.852000 3.473000 
1 1 1    1   15   25 o   10.250   1.9650 1.313000 3.930000 
1 1 1    1   15   26 o   7.8190   1.9780 1.832000 3.957000 
1 1 1    1   15   27 o   8.4580   1.9830 -1.562000 3.966000 
1 1 1    1   15   28 o   6.5830   1.8870 2.195000 3.774000 
1 1 1    1   16    0 o   58.140   0.7830 -0.000000 0.000000 
1 1 1    1   16    1 o   36.660   0.5826 0.4265000E-02 1.165000 
1 1 1    1   16    2 o   35.050   0.6037 -0.6861000 1.207000 
1 1 1    1   16    3 o   10.570   1.5430 -8.465000 3.087000 
1 1 1    1   16    4 o   31.890   0.6302 -1.545000 1.260000 
1 1 1    1   16    5 o   34.100   0.5991 -0.2071000 1.198000 
1 1 1    1   16    6 o   20.620   0.9108 2.723000 1.822000 
1 1 1    1   16    7 o   21.550   0.8581 -1.288000 1.716000 
1 1 1    1   16    8 o   54.800   0.5508 0.2674000 1.102000 
1 1 1    1   16    9 o   12.230   1.5750 4.283000 3.150000 
1 1 1    1   16   10 f   22.190   0.8718 2.551000 1.744000 
1 1 1    1   16   11 o   21.640   0.8863 0.9424000 1.773000 
1 1 1    1   16   12 o   12.210   1.7450 -6.084000 3.489000 
1 1 1    1   16   13 o   11.260   1.7170 -4.463000 3.433000 
1 1 1    1   16   14 o   21.510   0.9238 -0.4881000 1.848000 
1 1 1    1   16   15 o   19.410   1.0150 -0.9374000 2.030000 
1 1 1    1   16   16 o   13.340   1.7480 4.996000 3.496000 
1 1 1    1   16   17 o   9.7490   1.9540 1.843000 3.907000 
1 1 1    1   16   18 o   9.2230   2.0040 -2.551000 4.008000 
1 1 1    1   16   19 o   16.270   1.3440 -0.3711000 2.689000 
1 1 1    1   16   20 o   6.8910   1.9660 0.5463000E-01 3.933000 
1 1 1    1   16   21 f   7.8790   2.0250 1.861000 4.049000 
1 1 1    1   16   22 o   19.250   1.1430 1.054000 2.287000 
1 1 1    1   16   23 o   8.4450   2.0750 -0.3017000 4.149000 
1 1 1    1   16   24 o   10.890   1.8800 -4.324000 3.761000 
1 1 1    1   16   25 o   10.090   1.9150 3.936000 3.830000 
1 1 1    1   16   26 o   6.8660   1.9310 1.503000 3.862000 
1 1 1    1   16   27 o   16.430   1.2510 4.903000 2.503000 
1 1 1    1   17    0 o   8.5130   2.7610 -0.000000 0.000000 
1 1 1    1   17    1 o   18.970   1.2330 -1.825000 2.466000 
1 1 1    1   17    2 o   50.720   0.5557 -1.266000 1.111000 
1 1 1    1   17    3 o   23.570   0.8498 2.619000 1.700000 
1 1 1    1   17    4 o   21.870   0.9050 -0.1106000 1.810000 
1 1 1    1   17    5 o   35.860   0.6214 2.943000 1.243000 
1 1 1    1   17    6 o   14.480   1.3690 0.2589000 2.738000 
1 1 1    1   17    7 o   16.370   1.3470 -1.330000 2.694000 
1 1 1    1   17    8 o   26.060   0.7981 -0.4162000 1.596000 
1 1 1    1   17    9 o   27.920   0.7724 4.419000 1.545000 
1 1 1    1   17   10 o   23.440   0.9072 3.127000 1.814000 
1 1 1    1   17   11 o   17.880   1.1330 -2.202000 2.266000 
1 1 1    1   17   12 o   17.470   1.1700 -1.299000 2.340000 
1 1 1    1   17   13 o   18.550   1.1260 3.205000 2.252000 
1 1 1    1   17   14 o   8.7010   2.0000 -2.352000 4.000000 
1 1 1    1   17   15 o   12.520   1.7160 -7.649000 3.432000 
1 1 1    1   17   16 o   12.930   1.7050 0.8906000E-01 3.409000 
1 1 1    1   17   17 o   9.1940   2.0380 2.637000 4.077000 
1 1 1    1   17   18 o   7.2980   1.9870 2.372000 3.975000 
1 1 1    1   17   19 o   15.190   1.4640 -1.498000 2.928000 
1 1 1    1   17   20 o   9.6120   2.0370 0.9599000 4.074000 
1 1 1    1   17   21 o   11.040   1.8980 3.760000 3.796000 
1 1 1    1   17   22 o   9.5310   1.9960 -2.868000 3.991000 
1 1 1    1   17   23 o   7.9970   2.0370 -0.4716000 4.074000 
1 1 1    1   17   24 f   9.4950   1.9780 2.599000 3.955000 
1 1 1    1   17   25 o   9.1420   2.0000 -1.653000 3.999000 
1 1 1    1   17   26 o   10.510   1.8650 1.362000 3.730000 
1 1 1    1   18    0 o   26.580   1.8720 -0.000000 0.000000 
1 1 1    1   18    1 o   20.300   1.0530 1.580000 2.106000 
1 1 1    1   18    2 o   24.760   0.8642 -1.700000 1.728000 
1 1 1    1   18    3 o   28.340   0.7692 -0.8576000 1.538000 
1 1 1    1   18    4 o   41.440   0.6149 -3.211000 1.230000 
1 1 1    1   18    5 o   25.810   0.8592 -3.021000 1.718000 
1 1 1    1   18    6 o   25.610   0.8655 -3.620000 1.731000 
1 1 1    1   18    7 o   8.7460   1.9780 -3.578000 3.957000 
1 1 1    1   18    8 o   34.000   0.6865 -1.107000 1.373000 
1 1 1    1   18    9 o   14.340   1.5690 -0.6319000 3.138000 
1 1 1    1   18   10 o   24.710   0.9166 3.391000 1.833000 
1 1 1    1   18   11 o   16.630   1.3420 0.3910000 2.685000 
1 1 1    1   18   12 o   16.920   1.3140 -0.1782000 2.629000 
1 1 1    1   18   13 o   14.350   1.6630 7.788000 3.325000 
1 1 1    1   18   14 o   17.460   1.3220 3.393000 2.645000 
1 1 1    1   18   15 o   9.1780   2.1120 -1.144000 4.224000 
1 1 1    1   18   16 o   14.770   1.5760 -4.590000 3.153000 
1 1 1    1   18   17 o   8.4180   2.0800 -1.397000 4.161000 
1 1 1    1   18   18 o   16.710   1.3540 -0.9638000 2.708000 
1 1 1    1   18   19 o   9.0290   2.0870 -0.6539000 4.173000 
1 1 1    1   18   20 o   11.310   1.9190 -1.693000 3.839000 
1 1 1    1   18   21 o   8.0440   1.9580 3.730000 3.916000 
1 1 1    1   18   22 o   9.4880   2.0380 -0.2045000 4.077000 
1 1 1    1   18   23 o   7.0120   1.9480 1.751000 3.897000 
1 1 1    1   18   24 o   5.2510   1.6960 -1.154000 3.391000 
1 1 1    1   18   25 o   6.2660   1.9300 -0.6707000 3.859000 
1 1 1    1   19    0 o   16.960   1.8770 -0.000000 0.000000 
1 1 1    1   19    1 o   15.380   1.4930 1.605000 2.986000 
1 1 1    1   19    2 o   20.450   1.1050 -2.122000 2.211000 
1 1 1    1   19    3 o   20.750   1.0920 0.6701000E-01 2.184000 
1 1 1    1   19    4 o   8.7180   2.0300 -3.432000 4.059000 
1 1 1    1   19    5 o   22.470   1.1840 -3.285000 2.367000 
1 1 1    1   19    6 f   9.0140   1.8610 -6.408000 3.721000 
1 1 1    1   19    7 o   24.480   0.9495 -0.6893000 1.899000 
1 1 1    1   19    8 o   13.460   1.7800 -1.950000 3.561000 
1 1 1    1   19    9 o   10.050   2.0370 5.488000 4.073000 
1 1 1    1   19   10 o   8.5740   1.8610 6.503000 3.723000 
1 1 1    1   19   11 o   6.2350   1.9270 0.8395000 3.854000 
1 1 1    1   19   12 o   8.7010   2.1260 1.939000 4.251000 
1 1 1    1   19   13 o   12.870   1.8460 3.090000 3.692000 
1 1 1    1   19   14 o   10.850   2.0530 1.151000 4.106000 
1 1 1    1   19   15 o   7.6640   2.0860 -0.4116000 4.172000 
1 1 1    1   19   16 o   14.830   1.5670 0.7870000 3.134000 
1 1 1    1   19   17 o   16.570   1.4000 -0.3305000 2.799000 
1 1 1    1   19   18 o   9.4000   1.9830 -4.519000 3.967000 
1 1 1    1   19   19 o   10.390   2.0130 2.841000 4.026000 
1 1 1    1   19   20 o   14.560   1.6070 -4.706000 3.214000 
1 1 1    1   19   21 o   11.010   1.8930 -4.296000 3.786000 
1 1 1    1   19   22 o   10.430   1.9400 -2.507000 3.880000 
1 1 1    1   19   23 o   7.5230   1.9650 -2.252000 3.929000 
1 1 1    1   20    0 o   11.490   2.8910 -0.000000 0.000000 
1 1 1    1   20    1 o   20.760   1.1530 0.1974000 2.306000 
1 1 1    1   20    2 f   17.220   1.3890 -1.499000 2.777000 
1 1 1    1   20    3 o   8.2010   2.1440 0.2606000 4.289000 
1 1 1    1   20    4 o   14.970   1.6650 -1.815000 3.331000 
1 1 1    1   20    5 o   10.230   2.1240 -2.331000 4.249000 
1 1 1    1   20    6 o   16.340   1.5410 4.269000 3.082000 
1 1 1    1   20    7 f   17.000   1.4540 0.7822000 2.908000 
1 1 1    1   20    8 o   7.7260   2.0940 2.402000 4.188000 
1 1 1    1   20    9 o   8.6000   2.1770 0.7047000E-01 4.354000 
1 1 1    1   20   10 o   14.040   1.7980 5.377000 3.595000 
1 1 1    1   20   11 o   7.0760   2.0710 -0.1313000 4.142000 
1 1 1    1   20   12 o   8.5760   1.9810 -5.394000 3.961000 
1 1 1    1   20   13 o   12.880   1.8840 0.5475000 3.768000 
1 1 1    1   20   14 o   10.700   2.0340 -2.355000 4.069000 
1 1 1    1   20   15 o   10.250   1.8050 7.008000 3.609000 
1 1 1    1   20   16 o   8.4850   2.0780 0.2908000 4.156000 
1 1 1    1   20   17 o   9.6280   2.1240 0.4137000 4.248000 
1 1 1    1   20   18 o   9.6600   2.1250 0.7616000 4.250000 
1 1 1    1   20   19 o   7.7200   2.0020 -3.114000 4.004000 
1 1 1    1   20   20 o   8.8560   1.8140 6.186000 3.628000 
1 1 1    1   20   21 o   6.1680   1.8720 -0.3944000 3.743000 
1 1 1    1   21    0 o   10.160   3.0970 -0.000000 0.000000 
1 1 1    1   21    1 o   11.800   2.0430 2.629000 4.087000 
1 1 1    1   21    2 o   5.9090   1.8840 -1.100000 3.768000 
1 1 1    1   21    3 o   14.140   1.8260 5.720000 3.652000 
1 1 1    1   21    4 o   12.160   1.8830 -7.752000 3.766000 
1 1 1    1   21    5 o   21.210   1.1960 0.9581000 2.392000 
1 1 1    1   21    6 o   12.780   1.9980 0.3143000 3.995000 
1 1 1    1   21    7 o   11.900   2.0690 -0.6313000 4.139000 
1 1 1    1   21    8 o   10.660   2.1580 1.244000 4.316000 
1 1 1    1   21    9 o   19.190   1.3440 -3.755000 2.689000 
1 1 1    1   21   10 f   7.1370   2.0870 -0.4308000 4.175000 
1 1 1    1   21   11 o   8.2260   2.0130 -4.658000 4.027000 
1 1 1    1   21   12 o   10.140   1.8600 -7.279000 3.721000 
1 1 1    1   21   13 o   8.0930   2.0770 2.795000 4.154000 
1 1 1    1   21   14 o   8.3020   2.1360 0.6690000 4.273000 
1 1 1    1   21   15 o   9.8080   2.0790 1.973000 4.158000 
1 1 1    1   21   16 o   10.610   2.0040 -3.280000 4.008000 
1 1 1    1   21   17 o   7.5750   1.9500 4.227000 3.899000 
1 1 1    1   21   18 o   6.6820   1.9490 -1.148000 3.898000 
1 1 1    1   21   19 o   6.7630   1.9570 1.026000 3.914000 
1 1 1    1   22    0 o   12.400   2.9500 -0.000000 0.000000 
1 1 1    1   22    1 o   9.4780   2.2490 -0.3435000 4.499000 
1 1 1    1   22    2 o   13.060   1.9710 -0.4058000 3.942000 
1 1 1    1   22    3 o   12.810   2.0100 5.287000 4.019000 
1 1 1    1   22    4 o   8.9220   2.2670 0.7365000 4.534000 
1 1 1    1   22    5 o   14.470   1.8500 0.3564000 3.700000 
1 1 1    1   22    6 o   8.4620   2.1670 2.380000 4.335000 
1 1 1    1   22    7 o   14.090   1.8070 0.9336000 3.615000 
1 1 1    1   22    8 o   6.4340   1.9530 -2.206000 3.905000 
1 1 1    1   22    9 o   8.8640   2.1180 3.246000 4.235000 
1 1 1    1   22   10 o   13.810   1.7820 -3.692000 3.563000 
1 1 1    1   22   11 o   15.810   1.5160 -1.714000 3.032000 
1 1 1    1   22   12 o   6.9820   1.9360 3.696000 3.872000 
1 1 1    1   22   13 o   7.3100   2.0320 1.743000 4.063000 
1 1 1    1   22   14 o   6.6250   1.9210 -2.418000 3.842000 
1 1 1    1   22   15 f   8.5810   2.0500 -1.208000 4.100000 
1 1 1    1   22   16 o   5.8960   1.7920 -2.253000 3.585000 
1 1 1    1   22   17 o   5.8070   1.7670 -3.491000 3.534000 
1 1 1    1   23    0 o   7.2880   2.9950 -0.000000 0.000000 
1 1 1    1   23    1 o   8.5030   2.2180 -0.1343000 4.437000 
1 1 1    1   23    2 f   8.4120   1.9570 -6.236000 3.914000 
1 1 1    1   23    3 o   5.8150   1.8820 0.1044000 3.765000 
1 1 1    1   23    4 o   7.2960   2.0450 -3.155000 4.089000 
1 1 1    1   23    5 o   12.070   2.0290 3.649000 4.059000 
1 1 1    1   23    6 o   10.270   2.0710 -4.865000 4.143000 
1 1 1    1   23    7 o   7.2510   2.0860 -0.5625000E-01 4.171000 
1 1 1    1   23    8 o   6.5970   1.8850 4.177000 3.770000 
1 1 1    1   23    9 o   8.1450   2.1380 1.110000 4.277000 
1 1 1    1   23   10 o   8.3720   2.0400 -3.501000 4.080000 
1 1 1    1   23   11 o   7.0630   2.0070 1.008000 4.015000 
1 1 1    1   23   12 o   7.6460   1.8350 5.085000 3.670000 
1 1 1    1   23   13 o   6.4870   1.9070 -0.6373000 3.814000 
1 1 1    1   23   14 o   11.270   1.9230 -0.4564000E-01 3.846000 
1 1 1    1   24    0 o   7.7310   3.0750 -0.000000 0.000000 
1 1 1    1   24    1 o   8.5530   2.2310 1.182000 4.461000 
1 1 1    1   24    2 o   9.4970   2.2490 1.898000 4.498000 
1 1 1    1   24    3 o   11.640   2.1910 5.517000 4.382000 
1 1 1    1   24    4 o   8.2180   2.2100 0.8444000 4.420000 
1 1 1    1   24    5 o   7.0720   2.0860 -0.6722000 4.171000 
1 1 1    1   24    6 o   6.0270   1.9120 0.1712000 3.823000 
1 1 1    1   24    7 o   9.8350   2.1220 1.821000 4.243000 
1 1 1    1   24    8 o   8.1140   1.9500 -4.598000 3.900000 
1 1 1    1   24    9 o   9.1630   1.8720 -5.801000 3.744000 
1 1 1    1   24   10 o   8.0680   2.2980 -2.427000 4.595000 
1 1 1    1   25    0 o   8.1640   3.5010 -0.000000 0.000000 
1 1 1    1   25    1 o   6.3240   2.1290 0.9450000 4.258000 
1 1 1    2    0    6 o   45.880   0.9708 -0.000000 0.000000 
1 1 1    2    0    7 o   26.040   0.6071 -0.000000 0.000000 
1 1 1    2    0    9 o  233.200   3.4470 -0.000000 0.000000 
1 1 1    2    0   10 o   67.270   0.9998 -0.000000 0.000000 
1 1 1    2    0   11 o   38.750   0.5957 -0.000000 0.000000 
1 1 1    2    0   12 o  132.500   1.9590 -0.000000 0.000000 
1 1 1    2    0   13 o   12.140   0.5342 -0.000000 0.000000 
1 1 1    2    0   14 o   11.400   0.5747 -0.000000 0.000000 
1 1 1    2    0   15 o   17.720   0.4675 -0.000000 0.000000 
1 1 1    2    0   16 o   70.700   1.0540 -0.000000 0.000000 
1 1 1    2    0   17 o   13.360   0.6175 -0.000000 0.000000 
1 1 1    2    0   18 o   55.330   0.8377 -0.000000 0.000000 
1 1 1    2    0   19 o   32.940   0.5709 -0.000000 0.000000 
1 1 1    2    0   20 o   3.9470   1.5770 -0.000000 0.000000 
1 1 1    2    0   21 o   18.890   0.6352 -0.000000 0.000000 
1 1 1    2    0   22 o   64.760   0.9823 -0.000000 0.000000 
1 1 1    2    0   23 o   25.690   0.6158 -0.000000 0.000000 
1 1 1    2    0   24 o   29.790   0.6303 -0.000000 0.000000 
1 1 1    2    0   25 o   6.4840   1.9490 -0.000000 0.000000 
1 1 1    2    0   26 o   6.8650   2.0190 -0.000000 0.000000 
1 1 1    2    0   27 o   62.960   0.9753 -0.000000 0.000000 
1 1 1    2    0   28 o   5.0770   2.0440 -0.000000 0.000000 
1 1 1    2    0   29 o   35.220   0.7388 -0.000000 0.000000 
1 1 1    2    0   30 o   17.700   1.0930 -0.000000 0.000000 
1 1 1    2    0   31 o   6.5160   2.3380 -0.000000 0.000000 
1 1 1    2    0   32 o   12.300   1.6670 -0.000000 0.000000 
1 1 1    2    0   33 o   21.810   0.9364 -0.000000 0.000000 
1 1 1    2    0   34 o   8.5190   2.2860 -0.000000 0.000000 
1 1 1    2    0   35 o   6.0210   2.3190 -0.000000 0.000000 
1 1 1    2    0   36 o   6.4100   2.3710 -0.000000 0.000000 
1 1 1    2    1    2 f  107.900   1.5900      ?      ? 
1 1 1    2    1    3 o  153.600   1.4550 8.057000 2.911000 
1 1 1    2    1    4 o  109.500   0.9346 9.881000 1.869000 
1 1 1    2    1    5 o   94.880   0.8094 -1.102000 1.619000 
1 1 1    2    1    6 o   30.540   0.3071 1.679000 0.6142000 
1 1 1    2    1    7 o   24.100   0.2610 3.802000 0.5220000 
1 1 1    2    1    8 o   54.910   0.5792 2.333000 1.158000 
1 1 1    2    1    9 o   39.410   0.4271 -3.942000 0.8542000 
1 1 1    2    1   10 o  118.000   1.2340 6.717000 2.469000 
1 1 1    2    1   11 o   34.720   0.3868 1.380000 0.7737000 
1 1 1    2    1   12 o  111.400   1.1660 2.153000 2.333000 
1 1 1    2    1   13 o   69.130   0.7284 -2.359000 1.457000 
1 1 1    2    1   14 o   10.870   0.4636 -3.388000 0.9272000 
1 1 1    2    1   15 o   42.450   0.6576 7.665000 1.315000 
1 1 1    2    1   16 o   23.320   0.4771 -0.6933000 0.9543000 
1 1 1    2    1   17 o   20.500   0.5044 -1.336000 1.009000 
1 1 1    2    1   18 o   52.630   0.8025 0.5792000 1.605000 
1 1 1    2    1   19 o   20.200   0.5502 0.9868000 1.100000 
1 1 1    2    1   20 o   16.310   0.6821 -3.097000 1.364000 
1 1 1    2    1   21 o   14.740   0.7855 1.756000 1.571000 
1 1 1    2    1   22 o   31.200   0.4299 1.636000 0.8597000 
1 1 1    2    1   23 o   46.830   0.5323 -4.969000 1.065000 
1 1 1    2    1   24 o   18.700   0.5412 3.188000 1.082000 
1 1 1    2    1   25 o   30.340   0.4641 -0.8549000 0.9282000 
1 1 1    2    1   26 o   41.650   0.5150 0.5549000 1.030000 
1 1 1    2    1   27 o   30.660   0.4974 0.5128000 0.9948000 
1 1 1    2    1   28 o   9.4490   1.3530 -1.677000 2.705000 
1 1 1    2    1   29 o   12.410   1.1280 0.6570000E-01 2.256000 
1 1 1    2    1   30 o   30.380   0.5759 1.946000 1.152000 
1 1 1    2    1   31 o   16.730   0.8885 -0.3442000 1.777000 
1 1 1    2    1   32 o   10.250   1.4480 -1.687000 2.895000 
1 1 1    2    1   33 o   13.570   1.1900 -6.304000 2.380000 
1 1 1    2    1   34 o   14.150   1.0600 0.2367000 2.120000 
1 1 1    2    1   35 o   8.9290   1.5720 0.5182000 3.143000 
1 1 1    2    1   36 o   6.9110   1.7170 0.1338000 3.434000 
1 1 1    2    2    0 o   80.350   0.8408 -0.000000 0.000000 
1 1 1    2    2    1 o   69.500   0.5158 3.617000 1.032000 
1 1 1    2    2    2 o   27.810   0.2485 -5.945000 0.4970000 
1 1 1    2    2    3 o  145.600   1.0740 14.22000 2.149000 
1 1 1    2    2    4 o   70.050   0.5231 14.37000 1.046000 
1 1 1    2    2    5 o   74.460   0.5973 1.305000 1.195000 
1 1 1    2    2    6 o   55.340   0.4796 3.008000 0.9592000 
1 1 1    2    2    7 o   67.260   0.5780 -0.3268000 1.156000 
1 1 1    2    2    8 o   32.590   0.3106 2.708000 0.6212000 
1 1 1    2    2    9 f  139.000   1.3310 -6.282000 2.661000 
1 1 1    2    2   10 o  105.600   1.0100 -1.271000 2.020000 
1 1 1    2    2   11 o   72.700   0.7015 -3.219000 1.403000 
1 1 1    2    2   12 o   95.360   0.9057 7.557000 1.811000 
1 1 1    2    2   13 o   54.780   0.5365 -2.174000 1.073000 
1 1 1    2    2   14 o   70.150   0.7404 -5.417000 1.481000 
1 1 1    2    2   15 o   39.020   0.4416 -4.125000 0.8831000 
1 1 1    2    2   16 o   17.870   0.4381 -9.597000 0.8762000 
1 1 1    2    2   17 o   29.440   0.3896 -0.2062000 0.7793000 
1 1 1    2    2   18 o   24.410   0.4048 4.843000 0.8096000 
1 1 1    2    2   19 o   16.210   0.5134 -0.9624000 1.027000 
1 1 1    2    2   20 o   30.790   0.4309 -1.807000 0.8618000 
1 1 1    2    2   21 o   37.220   0.4697 0.2570000 0.9395000 
1 1 1    2    2   22 o   34.560   0.6599 -0.5644000 1.320000 
1 1 1    2    2   23 o   75.680   1.1440 -2.463000 2.288000 
1 1 1    2    2   24 o   45.110   0.7602 2.138000 1.520000 
1 1 1    2    2   25 o   23.570   0.7787 2.245000 1.557000 
1 1 1    2    2   26 o   41.720   0.7611 -0.7677000 1.522000 
1 1 1    2    2   27 o   13.630   1.5000 -6.737000 3.000000 
1 1 1    2    2   28 f   17.770   1.1590 -4.347000 2.318000 
1 1 1    2    2   29 o   15.990   0.8633 -2.245000 1.727000 
1 1 1    2    2   30 o   6.1040   1.6140 1.822000 3.228000 
1 1 1    2    2   31 o   13.780   1.1110 0.8839000E-01 2.222000 
1 1 1    2    2   32 o   16.870   0.9182 -1.748000 1.836000 
1 1 1    2    2   33 o   14.350   1.0720 -3.260000 2.145000 
1 1 1    2    2   34 o   7.0350   1.6770 1.656000 3.354000 
1 1 1    2    2   35 o   10.260   1.3410 -1.782000 2.681000 
1 1 1    2    3    0 o   92.290   0.9659 -0.000000 0.000000 
1 1 1    2    3    1 o  124.600   0.9193 -7.842000 1.839000 
1 1 1    2    3    2 o  116.400   0.8593 3.720000 1.719000 
1 1 1    2    3    3 o   60.360   0.4532 0.7176000E-01 0.9064000 
1 1 1    2    3    4 o  148.400   1.0950 5.420000 2.189000 
1 1 1    2    3    5 o   99.050   0.7337 -7.381000 1.467000 
1 1 1    2    3    6 o   36.570   0.3023 7.008000 0.6047000 
1 1 1    2    3    7 o   55.570   0.4549 -1.484000 0.9098000 
1 1 1    2    3    8 o  166.900   1.3290 -3.714000 2.659000 
1 1 1    2    3    9 o   64.660   0.5249 0.1795000 1.050000 
1 1 1    2    3   10 o  124.900   0.9996 4.693000 1.999000 
1 1 1    2    3   11 o  100.100   0.8575 10.67000 1.715000 
1 1 1    2    3   12 o   42.550   0.4357 2.957000 0.8713000 
1 1 1    2    3   13 o   57.230   0.6147 -3.628000 1.229000 
1 1 1    2    3   14 o   48.030   0.4837 -0.9826000 0.9675000 
1 1 1    2    3   15 o   27.150   0.3576 -1.429000 0.7152000 
1 1 1    2    3   16 o   28.790   0.3652 0.9511000 0.7304000 
1 1 1    2    3   17 o   32.480   0.3846 5.124000 0.7692000 
1 1 1    2    3   18 o   21.710   0.4228 7.953000 0.8457000 
1 1 1    2    3   19 f   32.090   0.4023 -0.5140000 0.8047000 
1 1 1    2    3   20 o   41.680   0.4542 4.141000 0.9084000 
1 1 1    2    3   21 o   19.210   0.5136 1.548000 1.027000 
1 1 1    2    3   22 o   25.320   0.4518 -1.978000 0.9036000 
1 1 1    2    3   23 o   27.370   0.4587 -0.6477000 0.9174000 
1 1 1    2    3   24 o   35.300   0.5133 -3.555000 1.027000 
1 1 1    2    3   25 o   17.590   0.6872 2.480000 1.374000 
1 1 1    2    3   26 o   39.960   0.4995 -0.8138000 0.9989000 
1 1 1    2    3   27 o   21.210   0.6387 0.9425000E-01 1.277000 
1 1 1    2    3   28 o   27.350   0.7527 1.058000 1.505000 
1 1 1    2    3   29 o   16.280   1.2590 1.200000 2.517000 
1 1 1    2    3   30 o   16.510   1.2280 -0.8300000 2.456000 
1 1 1    2    3   31 o   14.050   1.5560 3.652000 3.112000 
1 1 1    2    3   32 o   32.750   0.7455 -0.6073000E-02 1.491000 
1 1 1    2    3   33 o   18.980   1.0630 -2.716000 2.127000 
1 1 1    2    3   34 o   7.9180   1.9180 0.1765000 3.835000 
1 1 1    2    3   35 o   6.4040   1.5870 0.2144000 3.174000 
1 1 1    2    4    0 o   52.250   0.5692 -0.000000 0.000000 
1 1 1    2    4    1 o   17.940   0.3135 4.441000 0.6270000 
1 1 1    2    4    2 o  151.900   1.1210 -8.725000 2.242000 
1 1 1    2    4    3 o   44.410   0.3580 10.73000 0.7159000 
1 1 1    2    4    4 o   99.690   0.7391 -0.1752000 1.478000 
1 1 1    2    4    5 o   24.170   0.2938 -2.845000 0.5875000 
1 1 1    2    4    6 o   20.450   0.3123 -2.504000 0.6246000 
1 1 1    2    4    7 o   24.170   0.3014 -6.782000 0.6029000 
1 1 1    2    4    8 o   22.760   0.3244 2.704000 0.6487000 
1 1 1    2    4    9 o   98.660   0.7324 -0.6776000 1.465000 
1 1 1    2    4   10 o   59.920   0.4935 -1.050000 0.9870000 
1 1 1    2    4   11 o   79.460   0.6405 -2.838000 1.281000 
1 1 1    2    4   12 f   23.450   0.3382 -0.5369000 0.6764000 
1 1 1    2    4   13 o   46.270   0.4284 4.528000 0.8568000 
1 1 1    2    4   14 o   67.870   0.5922 1.443000 1.184000 
1 1 1    2    4   15 o   58.400   0.5171 -0.6470000 1.034000 
1 1 1    2    4   16 o   9.5960   0.8049 3.994000 1.610000 
1 1 1    2    4   17 o   33.250   0.3653 0.3513000 0.7305000 
1 1 1    2    4   18 o   17.090   0.4671 3.927000 0.9341000 
1 1 1    2    4   19 o   29.640   0.3757 1.324000 0.7515000 
1 1 1    2    4   20 o   37.680   0.4001 4.729000 0.8002000 
1 1 1    2    4   21 o   45.380   0.4425 0.3844000 0.8850000 
1 1 1    2    4   22 o   7.4280   1.2340 -0.8115000 2.468000 
1 1 1    2    4   23 o   15.900   0.6289 0.2138000 1.258000 
1 1 1    2    4   24 o   30.250   0.4377 -0.2649000 0.8754000 
1 1 1    2    4   25 o   12.140   0.9129 -1.421000 1.826000 
1 1 1    2    4   26 o   14.730   0.7893 1.488000 1.579000 
1 1 1    2    4   27 o   5.4950   1.4950 1.171000 2.991000 
1 1 1    2    4   28 o   21.670   0.6355 0.1250000 1.271000 
1 1 1    2    4   29 o   11.330   1.4440 4.497000 2.888000 
1 1 1    2    4   30 o   23.100   0.6400 0.2892000 1.280000 
1 1 1    2    4   31 o   8.2240   1.6440 -0.3674000E-02 3.289000 
1 1 1    2    4   32 o   21.060   0.7949 -1.271000 1.590000 
1 1 1    2    4   33 o   9.3550   1.7500 2.533000 3.499000 
1 1 1    2    4   34 o   12.190   1.4050 0.7175000 2.810000 
1 1 1    2    4   35 o   4.6800   1.4910 1.620000 2.983000 
1 1 1    2    5    0 o   11.040   0.7910 -0.000000 0.000000 
1 1 1    2    5    1 o   60.360   0.4660 -12.46000 0.9319000 
1 1 1    2    5    2 o  125.800   0.9310 -6.826000 1.862000 
1 1 1    2    5    3 o   64.700   0.4927 0.8247000 0.9854000 
1 1 1    2    5    4 o   73.220   0.5519 -0.7299000 1.104000 
1 1 1    2    5    5 o  111.100   0.8238 2.159000 1.648000 
1 1 1    2    5    6 o   69.920   0.5290 -2.133000 1.058000 
1 1 1    2    5    7 o   47.070   0.3840 7.429000 0.7679000 
1 1 1    2    5    8 o   50.210   0.4012 -6.000000 0.8024000 
1 1 1    2    5    9 o   40.630   0.3769 5.088000 0.7538000 
1 1 1    2    5   10 o  121.800   0.9019 -2.672000 1.804000 
1 1 1    2    5   11 o   53.640   0.4224 -3.677000 0.8449000 
1 1 1    2    5   12 f   37.910   0.3678 -4.711000 0.7356000 
1 1 1    2    5   13 o   63.530   0.5263 1.906000 1.053000 
1 1 1    2    5   14 o   50.250   0.4415 9.749000 0.8829000 
1 1 1    2    5   15 o   26.810   0.3817 2.603000 0.7633000 
1 1 1    2    5   16 o   18.360   0.4702 -1.059000 0.9404000 
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1 1 1    2    5   18 o   27.120   0.4041 3.018000 0.8083000 
1 1 1    2    5   19 o   36.640   0.4096 2.821000 0.8193000 
1 1 1    2    5   20 f   27.660   0.4204 -4.107000 0.8407000 
1 1 1    2    5   21 o   19.100   0.6043 3.666000 1.209000 
1 1 1    2    5   22 o   47.600   0.4702 -0.1081000 0.9403000 
1 1 1    2    5   23 o   39.490   0.4395 -0.6813000 0.8790000 
1 1 1    2    5   24 o   16.060   0.7315 3.893000 1.463000 
1 1 1    2    5   25 o   35.780   0.4580 1.354000 0.9160000 
1 1 1    2    5   26 o   16.780   0.7558 -0.3910000E-01 1.512000 
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1 1 1    2    5   28 o   7.9610   1.5890 -0.1121000 3.178000 
1 1 1    2    5   29 o   14.560   0.9887 1.551000 1.977000 
1 1 1    2    5   30 o   32.960   0.5293 -0.3702000 1.059000 
1 1 1    2    5   31 o   6.4860   1.4820 4.833000 2.965000 
1 1 1    2    5   32 o   18.320   0.8479 3.050000 1.696000 
1 1 1    2    5   33 o   10.170   1.4620 -1.145000 2.925000 
1 1 1    2    5   34 o   4.8210   1.5000 0.7074000 3.000000 
1 1 1    2    5   35 o   10.070   1.3920 -2.381000 2.784000 
1 1 1    2    6    0 o   34.100   0.4774 -0.000000 0.000000 
1 1 1    2    6    1 o   70.600   0.5374 5.214000 1.075000 
1 1 1    2    6    2 o   67.000   0.5132 -5.069000 1.026000 
1 1 1    2    6    3 o   79.900   0.6017 2.244000 1.203000 
1 1 1    2    6    4 o  104.800   0.7794 -4.388000 1.559000 
1 1 1    2    6    5 o  148.300   1.0960 2.979000 2.191000 
1 1 1    2    6    6 o   45.660   0.3850 2.391000 0.7699000 
1 1 1    2    6    7 o   40.090   0.3892 -0.1626000 0.7784000 
1 1 1    2    6    8 o   34.280   0.3429 -0.1671000 0.6857000 
1 1 1    2    6    9 o   47.750   0.3955 -1.502000 0.7910000 
1 1 1    2    6   10 o   29.600   0.3466 -3.019000 0.6932000 
1 1 1    2    6   11 o   26.880   0.3579 -5.086000 0.7158000 
1 1 1    2    6   12 o   95.680   0.7141 3.947000 1.428000 
1 1 1    2    6   13 o   6.4340   1.0630 4.354000 2.126000 
1 1 1    2    6   14 o   18.900   0.5153 3.504000 1.031000 
1 1 1    2    6   15 o   56.150   0.4813 2.512000 0.9626000 
1 1 1    2    6   16 o   26.010   0.3966 1.646000 0.7933000 
1 1 1    2    6   17 f   5.8400   1.3070 2.336000 2.614000 
1 1 1    2    6   18 o   59.150   0.5408 0.9579000 1.082000 
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1 1 1    2    6   22 o   58.150   0.5445 -0.2375000 1.089000 
1 1 1    2    6   23 o   18.050   0.6706 0.5666000 1.341000 
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1 1 1    2    6   25 o   17.970   0.7292 1.775000 1.458000 
1 1 1    2    6   26 o   28.540   0.5746 0.4022000 1.149000 
1 1 1    2    6   27 o   31.620   0.5309 1.308000 1.062000 
1 1 1    2    6   28 f   12.580   1.1980 -4.030000 2.396000 
1 1 1    2    6   29 o   14.680   1.0320 1.554000 2.065000 
1 1 1    2    6   30 o   17.320   0.9095 -0.7859000 1.819000 
1 1 1    2    6   31 o   14.610   1.0600 -1.255000 2.120000 
1 1 1    2    6   32 o   20.560   0.7740 -3.553000 1.548000 
1 1 1    2    6   33 o   7.3130   1.5570 4.590000 3.114000 
1 1 1    2    6   34 f   8.7260   1.5660 -4.118000 3.133000 
1 1 1    2    6   35 o   14.020   1.3920 -2.222000 2.784000 
1 1 1    2    7    0 o   20.500   0.6137 -0.000000 0.000000 
1 1 1    2    7    1 o   27.920   0.3700 6.050000 0.7400000 
1 1 1    2    7    2 o   26.500   0.3732 -0.8444000 0.7464000 
1 1 1    2    7    3 o   54.820   0.4404 3.565000 0.8809000 
1 1 1    2    7    4 o   32.410   0.3607 -2.506000 0.7215000 
1 1 1    2    7    5 o   79.950   0.6056 -7.652000 1.211000 
1 1 1    2    7    6 o   19.940   0.4430 2.910000 0.8861000 
1 1 1    2    7    7 o   78.070   0.5922 -0.6570000 1.184000 
1 1 1    2    7    8 o   45.320   0.3941 -0.7981000 0.7882000 
1 1 1    2    7    9 o   52.410   0.4285 -1.694000 0.8569000 
1 1 1    2    7   10 o   76.890   0.5843 -0.6535000 1.169000 
1 1 1    2    7   11 o   40.810   0.3767 -1.314000 0.7533000 
1 1 1    2    7   12 o   27.050   0.3882 3.248000 0.7764000 
1 1 1    2    7   13 o   10.010   0.9911 5.485000 1.982000 
1 1 1    2    7   14 o   17.440   0.5717 7.536000 1.143000 
1 1 1    2    7   15 o   30.410   0.3772 1.757000 0.7543000 
1 1 1    2    7   16 o   22.850   0.4606 -2.411000 0.9212000 
1 1 1    2    7   17 o   14.790   0.6617 2.633000 1.323000 
1 1 1    2    7   18 o   17.710   0.7029 -0.8200000 1.406000 
1 1 1    2    7   19 o   39.880   0.4588 5.089000 0.9177000 
1 1 1    2    7   20 o   46.070   0.4861 3.740000 0.9722000 
1 1 1    2    7   21 o   6.6820   1.5100 1.768000 3.020000 
1 1 1    2    7   22 f   29.010   0.5636 3.175000 1.127000 
1 1 1    2    7   23 o   27.400   0.5368 2.154000 1.074000 
1 1 1    2    7   24 o   52.310   0.5317 0.1713000 1.063000 
1 1 1    2    7   25 o   17.030   0.8474 0.1180000 1.695000 
1 1 1    2    7   26 o   35.730   0.5350 -3.203000 1.070000 
1 1 1    2    7   27 o   12.420   1.3090 -3.536000 2.619000 
1 1 1    2    7   28 o   13.610   1.2020 -2.818000 2.405000 
1 1 1    2    7   29 o   16.570   0.9868 -2.963000 1.974000 
1 1 1    2    7   30 o   20.860   0.8116 -1.800000 1.623000 
1 1 1    2    7   31 o   15.020   1.0640 -0.3603000 2.128000 
1 1 1    2    7   32 o   9.6270   1.5720 4.446000 3.143000 
1 1 1    2    7   33 f   8.9560   1.5750 4.206000 3.150000 
1 1 1    2    7   34 o   9.2750   1.6130 3.081000 3.226000 
1 1 1    2    8    0 o   22.500   0.6249 -0.000000 0.000000 
1 1 1    2    8    1 o   75.630   0.5786 -3.501000 1.157000 
1 1 1    2    8    2 o   48.440   0.4154 -4.456000 0.8309000 
1 1 1    2    8    3 o   39.070   0.3814 -4.404000 0.7627000 
1 1 1    2    8    4 o   18.750   0.4995 0.3160000 0.9989000 
1 1 1    2    8    5 o   25.370   0.4140 0.5320000 0.8280000 
1 1 1    2    8    6 o   49.320   0.4190 0.6021000E-01 0.8379000 
1 1 1    2    8    7 o   21.560   0.4573 -2.711000 0.9146000 
1 1 1    2    8    8 o   51.230   0.4287 2.690000 0.8573000 
1 1 1    2    8    9 o   32.160   0.3861 -0.9766000 0.7722000 
1 1 1    2    8   10 o   19.000   0.5119 1.839000 1.024000 
1 1 1    2    8   11 o   31.170   0.3909 -0.8395000 0.7817000 
1 1 1    2    8   12 o   14.540   0.6784 2.448000 1.357000 
1 1 1    2    8   13 o   22.000   0.4783 2.345000 0.9566000 
1 1 1    2    8   14 o   11.180   0.9082 2.520000 1.816000 
1 1 1    2    8   15 o   6.9630   1.1410 5.599000 2.282000 
1 1 1    2    8   16 o   12.030   0.8376 -2.014000 1.675000 
1 1 1    2    8   17 o   26.550   0.4385 1.342000 0.8770000 
1 1 1    2    8   18 o   61.240   0.5320 -0.4662000 1.064000 
1 1 1    2    8   19 o   24.380   0.5566 -0.7967000 1.113000 
1 1 1    2    8   20 o   23.930   0.5522 1.405000 1.104000 
1 1 1    2    8   21 o   37.200   0.4952 -1.631000 0.9904000 
1 1 1    2    8   22 o   30.960   0.5258 1.300000 1.052000 
1 1 1    2    8   23 o   21.930   0.7635 -3.051000 1.527000 
1 1 1    2    8   24 f   12.690   1.3720 -2.052000 2.743000 
1 1 1    2    8   25 o   33.420   0.5546 0.7219000 1.109000 
1 1 1    2    8   26 f   33.530   0.5814 -2.708000 1.163000 
1 1 1    2    8   27 o   13.890   1.2330 1.584000 2.466000 
1 1 1    2    8   28 o   11.840   1.4660 0.6187000 2.931000 
1 1 1    2    8   29 o   5.0410   1.6070 0.2293000 3.215000 
1 1 1    2    8   30 o   8.4110   1.7820 2.975000 3.564000 
1 1 1    2    8   31 o   10.570   1.6340 -1.738000 3.267000 
1 1 1    2    8   32 o   17.610   0.9524 0.2000000 1.905000 
1 1 1    2    8   33 o   7.4360   1.7680 -0.4579000 3.535000 
1 1 1    2    8   34 o   11.900   1.3780 -1.641000 2.755000 
1 1 1    2    9    0 o   20.710   0.7095 -0.000000 0.000000 
1 1 1    2    9    1 o   35.950   0.3950 -2.807000 0.7899000 
1 1 1    2    9    2 o   31.550   0.4020 3.816000 0.8041000 
1 1 1    2    9    3 o   55.600   0.4995 -0.5563000 0.9990000 
1 1 1    2    9    4 o   42.250   0.4355 -2.037000 0.8711000 
1 1 1    2    9    5 o   16.380   0.6375 3.538000 1.275000 
1 1 1    2    9    6 o   8.1990   1.2440 -1.170000 2.489000 
1 1 1    2    9    7 o   50.920   0.4385 -1.686000 0.8771000 
1 1 1    2    9    8 o   30.490   0.4105 2.031000 0.8210000 
1 1 1    2    9    9 o   41.220   0.4021 -4.056000 0.8042000 
1 1 1    2    9   10 o   33.940   0.3970 1.276000 0.7940000 
1 1 1    2    9   11 o   31.700   0.4097 -0.7590000 0.8194000 
1 1 1    2    9   12 f   29.150   0.4333 0.6638000 0.8667000 
1 1 1    2    9   13 o   11.380   0.9474 -0.5432000 1.895000 
1 1 1    2    9   14 o   10.560   1.0850 -3.634000 2.170000 
1 1 1    2    9   15 o   12.720   0.8648 -0.1771000 1.730000 
1 1 1    2    9   16 o   54.060   0.4604 -2.358000 0.9208000 
1 1 1    2    9   17 o   31.050   0.4439 -0.6604000E-01 0.8878000 
1 1 1    2    9   18 o   27.320   0.5289 -1.735000 1.058000 
1 1 1    2    9   19 o   27.920   0.5976 -0.2407000 1.195000 
1 1 1    2    9   20 o   9.4940   1.4260 -1.664000 2.852000 
1 1 1    2    9   21 o   27.790   0.5610 1.752000 1.122000 
1 1 1    2    9   22 o   24.920   0.7541 -3.894000 1.508000 
1 1 1    2    9   23 o   34.640   0.5613 -2.342000 1.123000 
1 1 1    2    9   24 o   35.700   0.5710 -0.8363000 1.142000 
1 1 1    2    9   25 o   22.430   0.7990 0.1468000E-01 1.598000 
1 1 1    2    9   26 o   18.140   1.0040 0.9702000 2.007000 
1 1 1    2    9   27 o   9.4890   1.6770 -6.127000 3.355000 
1 1 1    2    9   28 o   19.060   0.9908 2.525000 1.982000 
1 1 1    2    9   29 o   6.6220   1.7950 -2.768000 3.590000 
1 1 1    2    9   30 o   12.660   1.5550 5.583000 3.111000 
1 1 1    2    9   31 o   15.330   1.2240 -0.2647000 2.448000 
1 1 1    2    9   32 o   12.270   1.4590 0.6566000 2.918000 
1 1 1    2    9   33 o   5.9740   1.7170 -1.492000 3.433000 
1 1 1    2   10    0 o   62.690   0.7192 -0.000000 0.000000 
1 1 1    2   10    1 f   42.300   0.4243 1.282000 0.8486000 
1 1 1    2   10    2 o   42.130   0.4237 -1.814000 0.8473000 
1 1 1    2   10    3 o   31.280   0.4342 -1.401000 0.8684000 
1 1 1    2   10    4 o   32.680   0.4293 -0.1562000 0.8587000 
1 1 1    2   10    5 o   54.460   0.4642 1.797000 0.9285000 
1 1 1    2   10    6 o   10.830   1.0840 1.931000 2.168000 
1 1 1    2   10    7 f   17.240   0.6556 -0.3178000 1.311000 
1 1 1    2   10    8 o   11.120   1.0650 -3.892000 2.130000 
1 1 1    2   10    9 o   21.760   0.5771 1.613000 1.154000 
1 1 1    2   10   10 f   52.680   0.4570 1.362000 0.9140000 
1 1 1    2   10   11 o   21.400   0.5568 4.006000 1.114000 
1 1 1    2   10   12 o   57.830   0.4792 3.085000 0.9584000 
1 1 1    2   10   13 o   36.250   0.4215 1.307000 0.8429000 
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1 1 1    2   10   15 o   28.940   0.4635 1.132000 0.9270000 
1 1 1    2   10   16 o   23.110   0.5575 1.352000 1.115000 
1 1 1    2   10   17 o   19.320   0.7678 2.023000 1.536000 
1 1 1    2   10   18 o   37.030   0.4973 0.2193000 0.9946000 
1 1 1    2   10   19 o   55.900   0.4941 1.845000 0.9882000 
1 1 1    2   10   20 o   15.770   0.9102 3.921000 1.820000 
1 1 1    2   10   21 o   19.930   0.7925 1.925000 1.585000 
1 1 1    2   10   22 o   19.160   0.8518 5.126000 1.704000 
1 1 1    2   10   23 o   23.270   0.7321 2.177000 1.464000 
1 1 1    2   10   24 o   37.600   0.6465 0.1744000 1.293000 
1 1 1    2   10   25 o   17.680   1.0880 -1.583000 2.177000 
1 1 1    2   10   26 o   22.490   0.8910 0.2259000 1.782000 
1 1 1    2   10   27 o   22.260   0.9171 0.5037000 1.834000 
1 1 1    2   10   28 o   6.0240   1.8180 1.170000 3.637000 
1 1 1    2   10   29 o   17.220   1.1670 -0.4864000 2.334000 
1 1 1    2   10   30 o   17.670   1.1280 1.520000 2.257000 
1 1 1    2   10   31 o   12.180   1.6300 6.443000 3.259000 
1 1 1    2   10   32 o   18.870   0.9982 1.376000 1.996000 
1 1 1    2   10   33 f   9.5640   1.8280 -7.065000 3.656000 
1 1 1    2   11    0 o   18.830   0.9311 -0.000000 0.000000 
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1 1 1    2   11    2 o   14.040   0.8756 -2.229000 1.751000 
1 1 1    2   11    3 o   32.490   0.4514 -1.551000 0.9027000 
1 1 1    2   11    4 o   35.910   0.4450 -6.003000 0.8900000 
1 1 1    2   11    5 f   26.530   0.5062 -3.854000 1.012000 
1 1 1    2   11    6 o   14.800   0.8628 3.258000 1.726000 
1 1 1    2   11    7 o   17.640   0.7032 1.410000 1.406000 
1 1 1    2   11    8 o   14.910   0.8134 -0.8255000 1.627000 
1 1 1    2   11    9 o   15.430   0.7918 0.8496000 1.584000 
1 1 1    2   11   10 o   22.260   0.6205 -1.990000 1.241000 
1 1 1    2   11   11 o   37.000   0.4389 -1.962000 0.8778000 
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1 1 1    2   11   16 o   11.680   1.3670 -1.350000 2.733000 
1 1 1    2   11   17 f   15.530   0.8987 1.643000 1.797000 
1 1 1    2   11   18 o   51.660   0.4898 -0.2937000E-02 0.9797000 
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1 1 1    2   11   20 o   37.680   0.5045 -0.2769000E-01 1.009000 
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1 1 1    2   11   23 o   44.740   0.6429 0.3006000 1.286000 
1 1 1    2   11   24 o   24.850   0.7833 -2.754000 1.567000 
1 1 1    2   11   25 o   15.000   1.4110 -2.618000 2.822000 
1 1 1    2   11   26 o   9.3170   1.9960 1.031000 3.992000 
1 1 1    2   11   27 o   17.680   1.4570 8.004000 2.914000 
1 1 1    2   11   28 o   6.9390   1.9590 0.9062000 3.918000 
1 1 1    2   11   29 o   12.840   1.6710 -2.962000 3.341000 
1 1 1    2   11   30 f   14.500   1.4380 -0.1615000 2.876000 
1 1 1    2   11   31 o   21.840   0.9543 -1.496000 1.909000 
1 1 1    2   11   32 o   9.4560   1.8230 3.827000 3.647000 
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1 1 1    2   12    2 o   28.690   0.5060 0.8810000 1.012000 
1 1 1    2   12    3 f   6.8150   1.5260 -2.846000 3.052000 
1 1 1    2   12    4 o   22.030   0.6111 2.917000 1.222000 
1 1 1    2   12    5 o   15.550   0.8348 0.2417000 1.670000 
1 1 1    2   12    6 o   18.960   0.7135 -3.512000 1.427000 
1 1 1    2   12    7 o   7.7360   1.6380 1.511000 3.277000 
1 1 1    2   12    8 o   18.780   0.7364 2.771000 1.473000 
1 1 1    2   12    9 o   28.750   0.5108 1.555000 1.022000 
1 1 1    2   12   10 o   15.710   0.8661 -3.146000 1.732000 
1 1 1    2   12   11 o   20.580   0.6957 6.187000 1.391000 
1 1 1    2   12   12 o   33.880   0.4796 3.382000 0.9592000 
1 1 1    2   12   13 o   13.740   0.9811 -0.7014000 1.962000 
1 1 1    2   12   14 o   30.270   0.5582 1.622000 1.116000 
1 1 1    2   12   15 o   27.870   0.5553 1.340000 1.111000 
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1 1 1    2   12   17 o   7.0620   1.6080 -4.342000 3.216000 
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1 1 1    2   12   19 o   14.960   1.1200 -2.547000 2.240000 
1 1 1    2   12   20 o   19.240   0.8743 0.4874000 1.749000 
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1 1 1    2   12   23 o   21.550   0.8770 -3.825000 1.754000 
1 1 1    2   12   24 o   29.850   0.7705 1.478000 1.541000 
1 1 1    2   12   25 o   14.570   1.4310 0.4542000 2.862000 
1 1 1    2   12   26 o   19.650   1.1550 3.514000 2.311000 
1 1 1    2   12   27 o   9.2680   2.0810 0.6324000 4.162000 
1 1 1    2   12   28 o   17.910   1.2270 0.3628000 2.454000 
1 1 1    2   12   29 o   28.030   0.7961 -2.266000 1.592000 
1 1 1    2   12   30 o   26.900   0.8211 0.5071000 1.642000 
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1 1 1    2   13    3 o   14.580   0.9761 1.668000 1.952000 
1 1 1    2   13    4 o   34.040   0.4984 -2.403000 0.9969000 
1 1 1    2   13    5 o   31.000   0.5192 1.123000 1.038000 
1 1 1    2   13    6 o   43.270   0.4771 0.6869000 0.9541000 
1 1 1    2   13    7 o   18.960   0.8324 -1.108000 1.665000 
1 1 1    2   13    8 o   31.340   0.5384 0.7162000 1.077000 
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1 1 1    2   13   10 o   30.740   0.5479 1.753000 1.096000 
1 1 1    2   13   11 o   8.8710   1.7250 1.606000 3.449000 
1 1 1    2   13   12 o   7.7980   1.6070 5.804000 3.213000 
1 1 1    2   13   13 o   38.140   0.5296 -1.491000 1.059000 
1 1 1    2   13   14 o   16.780   0.9229 -3.482000 1.846000 
1 1 1    2   13   15 o   17.930   1.0040 1.907000 2.007000 
1 1 1    2   13   16 o   16.410   0.9936 -3.392000 1.987000 
1 1 1    2   13   17 o   28.200   0.6289 2.051000 1.258000 
1 1 1    2   13   18 o   17.480   0.9723 1.336000 1.945000 
1 1 1    2   13   19 o   14.640   1.2930 1.531000 2.586000 
1 1 1    2   13   20 f   16.780   1.0880 -0.5770000 2.175000 
1 1 1    2   13   21 o   13.540   1.4310 3.713000 2.862000 
1 1 1    2   13   22 f   16.390   1.1750 2.241000 2.350000 
1 1 1    2   13   23 o   19.120   1.2000 -4.497000 2.401000 
1 1 1    2   13   24 o   12.050   1.7040 0.9192000 3.408000 
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1 1 1    2   13   26 o   25.520   0.8960 4.765000 1.792000 
1 1 1    2   13   27 o   17.880   1.2930 -0.9720000 2.586000 
1 1 1    2   13   28 o   29.970   0.7804 -0.5403000 1.561000 
1 1 1    2   13   29 o   23.750   0.9180 4.556000 1.836000 
1 1 1    2   13   30 o   10.360   1.9140 -0.3241000 3.829000 
1 1 1    2   14    0 o   12.190   1.8810 -0.000000 0.000000 
1 1 1    2   14    1 o   10.420   1.5310 1.566000 3.062000 
1 1 1    2   14    2 o   24.610   0.6581 0.3748000 1.316000 
1 1 1    2   14    3 o   8.2290   1.7160 -0.4130000 3.433000 
1 1 1    2   14    4 o   26.100   0.6334 -0.2600000 1.267000 
1 1 1    2   14    5 o   10.510   1.5050 4.900000 3.011000 
1 1 1    2   14    6 o   14.390   1.1060 -1.676000 2.213000 
1 1 1    2   14    7 o   42.490   0.5074 -1.466000 1.015000 
1 1 1    2   14    8 o   25.890   0.7159 0.8013000 1.432000 
1 1 1    2   14    9 o   21.260   0.7647 0.2257000 1.529000 
1 1 1    2   14   10 o   12.920   1.3620 -2.798000 2.723000 
1 1 1    2   14   11 o   16.210   1.1780 -2.335000 2.357000 
1 1 1    2   14   12 o   35.800   0.6300 -0.2959000 1.260000 
1 1 1    2   14   13 o   12.490   1.4860 3.541000 2.972000 
1 1 1    2   14   14 o   16.260   1.0270 -2.275000 2.054000 
1 1 1    2   14   15 o   23.960   0.7290 -1.048000 1.458000 
1 1 1    2   14   16 o   20.950   0.9311 4.430000 1.862000 
1 1 1    2   14   17 o   24.130   0.7639 1.001000 1.528000 
1 1 1    2   14   18 o   23.280   0.8003 -0.9546000 1.601000 
1 1 1    2   14   19 o   10.850   1.7250 1.372000 3.451000 
1 1 1    2   14   20 o   12.700   1.5660 3.085000 3.132000 
1 1 1    2   14   21 o   7.3180   1.9510 -0.1211000 3.903000 
1 1 1    2   14   22 o   16.570   1.3140 4.477000 2.628000 
1 1 1    2   14   23 o   34.920   0.6560 2.569000 1.312000 
1 1 1    2   14   24 o   29.090   0.7471 1.742000 1.494000 
1 1 1    2   14   25 o   22.170   0.9504 -0.5615000 1.901000 
1 1 1    2   14   26 o   10.750   1.8910 5.094000 3.782000 
1 1 1    2   14   27 o   17.500   1.2430 -2.480000 2.486000 
1 1 1    2   14   28 o   7.0410   2.0050 0.9047000 4.010000 
1 1 1    2   14   29 o   5.3240   1.7000 -1.951000 3.400000 
1 1 1    2   15    0 o   8.8170   2.5260 -0.000000 0.000000 
1 1 1    2   15    1 o   46.460   0.5241 -2.853000 1.048000 
1 1 1    2   15    2 f   37.420   0.5460 1.725000 1.092000 
1 1 1    2   15    3 o   38.690   0.5911 3.221000 1.182000 
1 1 1    2   15    4 o   39.310   0.5349 2.235000 1.070000 
1 1 1    2   15    5 o   30.440   0.6202 0.1865000 1.240000 
1 1 1    2   15    6 o   42.770   0.5257 -0.4123000 1.051000 
1 1 1    2   15    7 o   15.120   1.3520 -5.483000 2.703000 
1 1 1    2   15    8 f   19.990   0.8983 2.136000 1.797000 
1 1 1    2   15    9 o   23.270   0.7591 0.7835000 1.518000 
1 1 1    2   15   10 o   18.650   0.9493 0.1438000 1.899000 
1 1 1    2   15   11 o   23.020   0.8533 1.331000 1.707000 
1 1 1    2   15   12 o   30.930   0.6285 -1.848000 1.257000 
1 1 1    2   15   13 o   18.400   0.9839 -0.6539000 1.968000 
1 1 1    2   15   14 o   38.390   0.5730 -3.947000 1.146000 
1 1 1    2   15   15 o   8.4620   1.6380 6.245000 3.277000 
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1 1 1    2   15   17 o   40.900   0.6315 1.988000 1.263000 
1 1 1    2   15   18 o   30.550   0.6996 -3.032000 1.399000 
1 1 1    2   15   19 o   24.710   0.8443 2.264000 1.689000 
1 1 1    2   15   20 o   17.570   1.1880 1.674000 2.375000 
1 1 1    2   15   21 o   13.290   1.6420 3.027000 3.285000 
1 1 1    2   15   22 o   30.690   0.7353 1.295000 1.471000 
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1 1 1    2   15   24 f   9.1660   1.9120 -4.465000 3.824000 
1 1 1    2   15   25 o   7.2760   1.9790 1.141000 3.959000 
1 1 1    2   15   26 o   14.930   1.4070 1.616000 2.815000 
1 1 1    2   15   27 o   6.5150   1.8940 2.943000 3.789000 
1 1 1    2   15   28 o   10.420   1.7910 6.010000 3.582000 
1 1 1    2   16    0 o   31.790   0.9005 -0.000000 0.000000 
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1 1 1    2   16    2 o   45.280   0.5484 -1.071000 1.097000 
1 1 1    2   16    3 o   18.610   0.9754 -0.8812000E-01 1.951000 
1 1 1    2   16    4 o   13.860   1.5460 -5.155000 3.092000 
1 1 1    2   16    5 o   28.010   0.6891 -0.3121000E-01 1.378000 
1 1 1    2   16    6 o   33.990   0.6111 -1.400000 1.222000 
1 1 1    2   16    7 o   19.480   0.9518 0.4169000 1.904000 
1 1 1    2   16    8 o   29.950   0.7744 3.409000 1.549000 
1 1 1    2   16    9 o   8.1320   1.8050 -3.954000 3.610000 
1 1 1    2   16   10 o   32.280   0.6437 1.065000 1.287000 
1 1 1    2   16   11 o   30.220   0.6732 2.951000 1.346000 
1 1 1    2   16   12 o   9.5620   1.8140 -4.089000 3.628000 
1 1 1    2   16   13 o   16.070   1.2320 2.720000 2.463000 
1 1 1    2   16   14 o   26.600   0.7713 0.4157000 1.543000 
1 1 1    2   16   15 o   18.090   1.0940 -0.9650000 2.188000 
1 1 1    2   16   16 o   41.360   0.5936 0.4998000 1.187000 
1 1 1    2   16   17 o   22.450   0.9347 -1.161000 1.869000 
1 1 1    2   16   18 o   9.6440   2.0220 1.293000 4.044000 
1 1 1    2   16   19 o   19.440   1.1160 1.114000 2.233000 
1 1 1    2   16   20 o   12.370   1.7720 1.075000 3.544000 
1 1 1    2   16   21 o   19.900   1.1270 4.859000 2.254000 
1 1 1    2   16   22 o   11.780   1.8590 -3.146000 3.717000 
1 1 1    2   16   23 o   10.240   2.0160 0.5706000 4.032000 
1 1 1    2   16   24 o   10.820   1.9510 1.006000 3.902000 
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1 1 1    2   17    0 o   8.5970   3.0580 -0.000000 0.000000 
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1 1 1    2   17    2 o   16.990   1.3840 0.9811000 2.768000 
1 1 1    2   17    3 o   20.270   0.9731 -2.368000 1.946000 
1 1 1    2   17    4 o   41.440   0.5838 0.7885000 1.168000 
1 1 1    2   17    5 o   37.470   0.6099 0.7889000 1.220000 
1 1 1    2   17    6 o   13.110   1.5470 3.973000 3.094000 
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1 1 1    2   17   14 o   18.910   1.1160 1.864000 2.231000 
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1 1 1    2   17   17 o   10.670   2.0030 -0.6926000 4.006000 
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1 1 1    2   18    3 o   13.330   1.6280 0.9787000 3.257000 
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1 1 1    2   18    8 o   16.350   1.5970 4.815000 3.195000 
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1 1 1    2   18   17 o   9.4290   1.9630 4.691000 3.927000 
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1 1 1    2   25    1 o   14.850   4.5880      ?      ? 
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1 1 1    3    2   25 o   27.710   0.7276 1.169000 1.455000 
1 1 1    3    2   26 o   38.320   0.7384 0.8725000 1.477000 
1 1 1    3    2   27 o   55.660   0.9013 -0.1803000 1.803000 
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1 1 1    3    7   19 o   52.110   0.4745 0.9108000E-01 0.9489000 
1 1 1    3    7   20 o   18.160   0.7652 2.418000 1.530000 
1 1 1    3    7   21 o   11.320   1.1140 2.965000 2.229000 
1 1 1    3    7   22 o   41.550   0.5460 0.5733000E-01 1.092000 
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1 1 1    3    7   25 o   10.470   1.3960 0.3538000 2.793000 
1 1 1    3    7   26 o   24.390   0.6579 -1.200000 1.316000 
1 1 1    3    7   27 o   6.1260   1.6890 0.5005000 3.377000 
1 1 1    3    7   28 o   24.060   0.6815 -0.9259000 1.363000 
1 1 1    3    7   29 o   11.820   1.3970 -2.357000 2.794000 
1 1 1    3    7   30 o   21.800   0.7751 2.755000 1.550000 
1 1 1    3    7   31 o   15.140   1.0870 -2.744000 2.174000 
1 1 1    3    7   32 o   13.450   1.2330 2.780000 2.465000 
1 1 1    3    7   33 o   4.7700   1.5100 -0.8706000 3.020000 
1 1 1    3    7   34 o   5.5950   1.6490 -0.5203000 3.297000 
1 1 1    3    8    0 o   7.4270   1.7170 -0.000000 0.000000 
1 1 1    3    8    1 o   33.130   0.3790 3.972000 0.7580000 
1 1 1    3    8    2 o   36.590   0.3775 1.038000 0.7550000 
1 1 1    3    8    3 o   7.1440   1.2420 1.189000 2.484000 
1 1 1    3    8    4 o   83.820   0.6344 -0.4716000E-01 1.269000 
1 1 1    3    8    5 o   28.150   0.3957 0.3453000 0.7913000 
1 1 1    3    8    6 o   32.370   0.3811 2.720000 0.7621000 
1 1 1    3    8    7 o   49.820   0.4553 -0.9066000 0.9106000 
1 1 1    3    8    8 o   20.590   0.4759 -0.5781000 0.9518000 
1 1 1    3    8    9 f   59.640   0.4758 5.144000 0.9517000 
1 1 1    3    8   10 o   38.090   0.3816 0.7379000 0.7632000 
1 1 1    3    8   11 o   8.1430   1.1960 1.760000 2.391000 
1 1 1    3    8   12 o   43.400   0.4033 1.049000 0.8067000 
1 1 1    3    8   13 o   28.540   0.4140 -1.075000 0.8280000 
1 1 1    3    8   14 o   23.140   0.4998 2.318000 0.9997000 
1 1 1    3    8   15 o   31.710   0.3970 -0.3665000 0.7941000 
1 1 1    3    8   16 o   23.570   0.4992 5.489000 0.9985000 
1 1 1    3    8   17 o   26.420   0.5262 -4.374000 1.052000 
1 1 1    3    8   18 o   34.940   0.4403 0.3111000 0.8806000 
1 1 1    3    8   19 o   32.250   0.5045 0.5019000 1.009000 
1 1 1    3    8   20 o   14.160   0.9644 8.104000 1.929000 
1 1 1    3    8   21 o   15.540   0.9565 -0.4243000 1.913000 
1 1 1    3    8   22 o   13.950   1.0240 3.805000 2.049000 
1 1 1    3    8   23 o   28.850   0.5626 3.009000 1.125000 
1 1 1    3    8   24 o   36.810   0.5289 0.1892000 1.058000 
1 1 1    3    8   25 o   26.540   0.7163 1.249000 1.433000 
1 1 1    3    8   26 o   19.180   0.8725 1.262000 1.745000 
1 1 1    3    8   27 o   11.700   1.4950 3.660000 2.990000 
1 1 1    3    8   28 f   29.620   0.6338 0.2250000 1.268000 
1 1 1    3    8   29 o   16.400   1.0690 1.691000 2.139000 
1 1 1    3    8   30 o   12.220   1.4990 4.294000 2.998000 
1 1 1    3    8   31 o   13.980   1.2570 2.299000 2.513000 
1 1 1    3    8   32 o   13.570   1.2650 -0.1488000 2.530000 
1 1 1    3    8   33 f   8.9410   1.6970 2.400000 3.394000 
1 1 1    3    8   34 o   9.8060   1.6000 -0.9431000 3.200000 
1 1 1    3    9    0 o   50.830   0.6131 -0.000000 0.000000 
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1 1 1    3    9    2 o   30.380   0.4092 2.358000 0.8185000 
1 1 1    3    9    3 o   32.980   0.4011 -3.289000 0.8022000 
1 1 1    3    9    4 o   30.460   0.4148 2.620000 0.8296000 
1 1 1    3    9    5 o   46.930   0.4584 -3.658000 0.9167000 
1 1 1    3    9    6 f   34.120   0.4032 -0.3982000 0.8064000 
1 1 1    3    9    7 o   17.960   0.5864 -1.647000 1.173000 
1 1 1    3    9    8 o   37.940   0.3999 -2.680000 0.7998000 
1 1 1    3    9    9 o   42.760   0.4073 -1.955000 0.8147000 
1 1 1    3    9   10 o   28.610   0.4217 1.059000 0.8434000 
1 1 1    3    9   11 o   42.710   0.4482 1.068000 0.8965000 
1 1 1    3    9   12 o   25.910   0.4603 -2.407000 0.9206000 
1 1 1    3    9   13 o   37.280   0.4108 -2.870000 0.8216000 
1 1 1    3    9   14 o   25.340   0.4742 2.653000 0.9485000 
1 1 1    3    9   15 o   14.530   0.9046 -10.09000 1.809000 
1 1 1    3    9   16 o   13.780   0.9395 4.031000 1.879000 
1 1 1    3    9   17 o   10.960   1.1580 -6.592000 2.315000 
1 1 1    3    9   18 o   26.740   0.4906 1.507000 0.9812000 
1 1 1    3    9   19 o   38.230   0.4731 4.456000 0.9463000 
1 1 1    3    9   20 o   7.4140   1.6960 2.725000 3.393000 
1 1 1    3    9   21 o   32.310   0.5163 -0.2761000 1.033000 
1 1 1    3    9   22 o   63.670   0.6506 1.628000 1.301000 
1 1 1    3    9   23 f   20.620   0.7895 -0.3682000 1.579000 
1 1 1    3    9   24 o   19.920   0.8495 0.8939000 1.699000 
1 1 1    3    9   25 o   32.240   0.6120 -1.257000 1.224000 
1 1 1    3    9   26 o   13.660   1.3480 -1.515000 2.696000 
1 1 1    3    9   27 o   22.870   0.8264 0.5037000E-01 1.653000 
1 1 1    3    9   28 o   22.540   0.8447 -2.373000 1.689000 
1 1 1    3    9   29 f   8.4800   1.9270 0.1759000 3.855000 
1 1 1    3    9   30 o   26.390   0.8752 -2.392000 1.750000 
1 1 1    3    9   31 o   15.480   1.2360 -3.408000 2.472000 
1 1 1    3    9   32 o   15.110   1.1790 0.9732000 2.357000 
1 1 1    3    9   33 o   11.580   1.4740 2.341000 2.947000 
1 1 1    3   10    0 o   29.560   0.6378 -0.000000 0.000000 
1 1 1    3   10    1 f   45.130   0.4294 4.195000 0.8588000 
1 1 1    3   10    2 o   42.210   0.4232 0.2273000 0.8465000 
1 1 1    3   10    3 o   38.470   0.4272 10.77000 0.8543000 
1 1 1    3   10    4 o   18.450   0.6280 -2.479000 1.256000 
1 1 1    3   10    5 o   32.320   0.4341 1.493000 0.8681000 
1 1 1    3   10    6 o   41.050   0.4283 2.218000 0.8567000 
1 1 1    3   10    7 f   31.210   0.4375 -1.102000 0.8750000 
1 1 1    3   10    8 o   22.980   0.5582 1.944000 1.116000 
1 1 1    3   10    9 o   9.5630   1.1810 -0.8004000E-01 2.361000 
1 1 1    3   10   10 o   46.000   0.4304 1.030000 0.8607000 
1 1 1    3   10   11 o   38.700   0.4217 4.638000 0.8435000 
1 1 1    3   10   12 o   9.5580   1.2850 2.375000 2.570000 
1 1 1    3   10   13 o   19.970   0.6457 -2.333000 1.291000 
1 1 1    3   10   14 f   28.730   0.5021 -0.3937000 1.004000 
1 1 1    3   10   15 o   23.900   0.5210 -0.2874000 1.042000 
1 1 1    3   10   16 o   11.050   1.1140 0.9587000 2.228000 
1 1 1    3   10   17 o   38.560   0.4442 1.996000 0.8884000 
1 1 1    3   10   18 o   20.710   0.6562 -0.2242000 1.312000 
1 1 1    3   10   19 o   47.860   0.4702 -1.854000 0.9403000 
1 1 1    3   10   20 o   34.650   0.5240 2.335000 1.048000 
1 1 1    3   10   21 o   28.440   0.6031 -3.531000 1.206000 
1 1 1    3   10   22 o   34.310   0.5522 2.081000 1.104000 
1 1 1    3   10   23 o   32.770   0.5803 2.365000 1.161000 
1 1 1    3   10   24 o   29.630   0.7564 1.367000 1.513000 
1 1 1    3   10   25 o   14.820   1.2950 1.918000 2.591000 
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1 1 1    3   10   27 o   11.510   1.9330 1.106000 3.866000 
1 1 1    3   10   28 o   18.180   1.1090 1.565000 2.218000 
1 1 1    3   10   29 o   10.210   1.8850 1.096000 3.769000 
1 1 1    3   10   30 o   9.1600   1.9600 0.2841000 3.920000 
1 1 1    3   10   31 f   12.090   1.6390 4.162000 3.277000 
1 1 1    3   10   32 o   20.230   0.9282 1.820000 1.856000 
1 1 1    3   10   33 o   8.1740   1.9220 -1.738000 3.845000 
1 1 1    3   11    0 o   5.1510   2.0890 -0.000000 0.000000 
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1 1 1    3   11    2 o   67.710   0.5431 -0.8702000 1.086000 
1 1 1    3   11    3 o   27.240   0.4938 -1.543000 0.9876000 
1 1 1    3   11    4 o   33.210   0.4487 1.132000 0.8974000 
1 1 1    3   11    5 o   35.550   0.4435 1.037000 0.8870000 
1 1 1    3   11    6 o   26.090   0.5136 -1.568000 1.027000 
1 1 1    3   11    7 o   16.730   0.7344 0.8116000 1.469000 
1 1 1    3   11    8 o   34.970   0.4467 -1.660000 0.8935000 
1 1 1    3   11    9 o   37.830   0.4402 1.635000 0.8804000 
1 1 1    3   11   10 o   40.750   0.4430 -1.654000 0.8860000 
1 1 1    3   11   11 o   23.470   0.5545 -0.7748000 1.109000 
1 1 1    3   11   12 o   25.980   0.5204 4.072000 1.041000 
1 1 1    3   11   13 o   47.600   0.4546 -0.9024000 0.9093000 
1 1 1    3   11   14 o   41.520   0.4475 -3.411000 0.8951000 
1 1 1    3   11   15 o   23.790   0.5751 -0.1350000 1.150000 
1 1 1    3   11   16 f   35.460   0.4772 6.279000 0.9544000 
1 1 1    3   11   17 o   22.170   0.6561 -0.5755000 1.312000 
1 1 1    3   11   18 o   45.440   0.4811 -4.116000 0.9622000 
1 1 1    3   11   19 o   13.670   1.3650 7.260000 2.730000 
1 1 1    3   11   20 o   28.710   0.5778 0.8290000E-01 1.156000 
1 1 1    3   11   21 o   26.410   0.6345 -2.228000 1.269000 
1 1 1    3   11   22 o   20.390   0.8771 -0.4998000 1.754000 
1 1 1    3   11   23 o   24.900   0.9582 8.472000 1.916000 
1 1 1    3   11   24 o   23.950   0.8133 -3.395000 1.627000 
1 1 1    3   11   25 o   19.230   1.0780 1.722000 2.156000 
1 1 1    3   11   26 o   16.900   1.2410 -0.7087000E-01 2.483000 
1 1 1    3   11   27 o   28.000   0.7913 -0.7648000 1.583000 
1 1 1    3   11   28 f   10.050   1.9710 -2.401000 3.942000 
1 1 1    3   11   29 o   11.230   1.8360 3.175000 3.672000 
1 1 1    3   11   30 o   13.790   1.5600 3.515000 3.121000 
1 1 1    3   11   31 o   10.860   1.8200 3.499000 3.641000 
1 1 1    3   11   32 o   9.3170   1.9140 0.5874000 3.828000 
1 1 1    3   12    0 o   11.200   1.6290 -0.000000 0.000000 
1 1 1    3   12    1 o   10.480   1.2820 1.508000 2.564000 
1 1 1    3   12    2 o   23.850   0.5806 -2.506000 1.161000 
1 1 1    3   12    3 o   36.750   0.4597 -5.023000 0.9194000 
1 1 1    3   12    4 o   40.580   0.4517 -2.637000 0.9033000 
1 1 1    3   12    5 o   19.130   0.6959 0.8084000 1.392000 
1 1 1    3   12    6 o   15.550   0.8259 -0.3268000 1.652000 
1 1 1    3   12    7 o   18.910   0.7180 -1.210000 1.436000 
1 1 1    3   12    8 o   29.670   0.5543 -0.1907000 1.109000 
1 1 1    3   12    9 o   17.470   0.8423 2.462000 1.685000 
1 1 1    3   12   10 o   20.980   0.6691 4.584000 1.338000 
1 1 1    3   12   11 o   22.600   0.6669 0.8318000 1.334000 
1 1 1    3   12   12 o   12.750   1.0510 -1.271000 2.102000 
1 1 1    3   12   13 o   25.450   0.5724 -0.1437000 1.145000 
1 1 1    3   12   14 o   12.420   1.3940 6.926000 2.788000 
1 1 1    3   12   15 o   11.430   1.2750 -1.336000 2.549000 
1 1 1    3   12   16 o   76.780   0.6111 1.672000 1.222000 
1 1 1    3   12   17 o   31.970   0.5361 1.405000 1.072000 
1 1 1    3   12   18 o   17.600   0.9173 4.252000 1.835000 
1 1 1    3   12   19 o   6.6850   1.6840 3.224000 3.369000 
1 1 1    3   12   20 o   34.480   0.5578 1.183000 1.116000 
1 1 1    3   12   21 o   21.230   0.8204 2.931000 1.641000 
1 1 1    3   12   22 o   28.140   0.6682 0.2825000 1.336000 
1 1 1    3   12   23 o   7.9580   1.9710 0.1943000 3.943000 
1 1 1    3   12   24 o   26.120   0.8046 -1.934000 1.609000 
1 1 1    3   12   25 o   18.980   1.1270 -4.403000 2.254000 
1 1 1    3   12   26 o   20.870   1.0110 -2.376000 2.023000 
1 1 1    3   12   27 o   16.350   1.3820 -0.1263000 2.765000 
1 1 1    3   12   28 o   15.390   1.4350 -0.9129000 2.871000 
1 1 1    3   12   29 o   19.900   1.0910 -0.6653000 2.181000 
1 1 1    3   12   30 o   10.580   1.8930 2.900000 3.786000 
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1 1 1    3   13    0 o   14.060   1.4190 -0.000000 0.000000 
1 1 1    3   13    1 o   7.7030   1.6020 2.832000 3.204000 
1 1 1    3   13    2 o   6.8550   1.6660 -0.4554000 3.332000 
1 1 1    3   13    3 o   13.550   1.0990 -4.465000 2.198000 
1 1 1    3   13    4 o   29.010   0.5367 -1.630000 1.073000 
1 1 1    3   13    5 o   37.040   0.4834 -2.057000 0.9669000 
1 1 1    3   13    6 o   47.730   0.4773 1.459000 0.9546000 
1 1 1    3   13    7 o   67.310   0.5568 -0.2378000 1.114000 
1 1 1    3   13    8 o   44.510   0.4852 4.194000 0.9705000 
1 1 1    3   13    9 o   25.220   0.6164 -1.066000 1.233000 
1 1 1    3   13   10 o   25.850   0.6087 1.003000 1.217000 
1 1 1    3   13   11 o   44.110   0.4845 1.280000 0.9690000 
1 1 1    3   13   12 o   41.340   0.4833 3.959000 0.9666000 
1 1 1    3   13   13 o   69.190   0.5687 -0.1494000 1.137000 
1 1 1    3   13   14 o   14.730   1.1500 1.928000 2.299000 
1 1 1    3   13   15 o   39.000   0.5414 1.494000 1.083000 
1 1 1    3   13   16 o   5.4140   1.6330 0.2877000 3.265000 
1 1 1    3   13   17 o   34.080   0.5587 1.780000 1.117000 
1 1 1    3   13   18 o   15.240   1.0950 0.7139000E-01 2.190000 
1 1 1    3   13   19 o   41.670   0.5308 1.175000 1.062000 
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1 1 1    3   13   21 o   14.850   1.2590 -0.4770000 2.518000 
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1 1 1    3   13   23 o   44.030   0.5718 -0.6375000 1.144000 
1 1 1    3   13   24 o   14.350   1.5320 1.126000 3.064000 
1 1 1    3   13   25 o   10.100   2.0220 1.746000 4.044000 
1 1 1    3   13   26 o   5.7600   1.8030 2.949000 3.607000 
1 1 1    3   13   27 o   13.850   1.5770 1.623000 3.154000 
1 1 1    3   13   28 o   18.550   1.1890 0.2602000 2.377000 
1 1 1    3   13   29 o   16.450   1.3230 2.913000 2.647000 
1 1 1    3   13   30 o   7.0680   1.9470 0.3235000 3.893000 
1 1 1    3   14    0 o   38.560   0.7218 -0.000000 0.000000 
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1 1 1    3   14    2 o   28.440   0.5897 -2.790000 1.179000 
1 1 1    3   14    3 o   14.060   1.1540 -2.741000 2.308000 
1 1 1    3   14    4 o   23.300   0.7014 3.323000 1.403000 
1 1 1    3   14    5 o   26.800   0.6192 -1.264000 1.238000 
1 1 1    3   14    6 o   28.920   0.5946 -2.656000 1.189000 
1 1 1    3   14    7 o   11.600   1.5400 5.972000 3.080000 
1 1 1    3   14    8 o   24.950   0.6727 -0.7811000 1.345000 
1 1 1    3   14    9 o   21.100   0.8261 1.095000 1.652000 
1 1 1    3   14   10 o   27.670   0.6224 3.688000 1.245000 
1 1 1    3   14   11 o   52.900   0.5126 1.221000 1.025000 
1 1 1    3   14   12 o   79.720   0.6367 0.9425000E-01 1.273000 
1 1 1    3   14   13 o   8.9250   1.6120 4.911000 3.223000 
1 1 1    3   14   14 o   30.920   0.5839 2.045000 1.168000 
1 1 1    3   14   15 o   27.030   0.7099 -1.201000 1.420000 
1 1 1    3   14   16 o   28.000   0.6558 -1.312000 1.312000 
1 1 1    3   14   17 o   23.440   0.7894 -3.833000 1.579000 
1 1 1    3   14   18 o   20.210   0.9137 -0.1097000 1.827000 
1 1 1    3   14   19 o   16.540   1.1340 -0.2818000 2.269000 
1 1 1    3   14   20 o   17.420   1.1280 2.130000 2.257000 
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1 1 1    3   14   22 o   20.600   1.0150 0.6431000 2.029000 
1 1 1    3   14   23 o   13.700   1.5770 3.782000 3.155000 
1 1 1    3   14   24 o   17.780   1.1850 2.469000 2.369000 
1 1 1    3   14   25 o   11.320   1.8770 6.181000 3.755000 
1 1 1    3   14   26 o   10.480   1.9970 -0.8762000E-01 3.994000 
1 1 1    3   14   27 o   7.2450   1.7250 -5.677000 3.450000 
1 1 1    3   14   28 o   11.620   1.8130 -3.070000 3.626000 
1 1 1    3   14   29 o   6.3280   1.8710 -1.987000 3.742000 
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1 1 1    3   15    3 o   21.710   0.7983 0.3707000 1.597000 
1 1 1    3   15    4 o   32.840   0.5858 0.1275000 1.172000 
1 1 1    3   15    5 o   23.910   0.7420 -0.2076000E-01 1.484000 
1 1 1    3   15    6 o   11.650   1.8410 -4.855000 3.681000 
1 1 1    3   15    7 o   73.190   0.6073 -0.4015000 1.215000 
1 1 1    3   15    8 o   26.530   0.6927 -1.079000 1.385000 
1 1 1    3   15    9 o   30.930   0.6172 -0.8809000 1.234000 
1 1 1    3   15   10 o   31.780   0.6092 0.4137000 1.218000 
1 1 1    3   15   11 o   37.530   0.5572 -0.4871000 1.114000 
1 1 1    3   15   12 o   10.720   1.8520 3.946000 3.704000 
1 1 1    3   15   13 o   12.770   1.4200 -1.260000 2.841000 
1 1 1    3   15   14 o   15.420   1.4710 -5.043000 2.941000 
1 1 1    3   15   15 o   20.030   0.9581 -4.291000 1.916000 
1 1 1    3   15   16 o   14.650   1.4640 -0.6383000 2.927000 
1 1 1    3   15   17 o   18.140   1.2310 4.057000 2.461000 
1 1 1    3   15   18 o   15.340   1.3130 -1.526000 2.625000 
1 1 1    3   15   19 o   23.860   0.8704 2.788000 1.741000 
1 1 1    3   15   20 o   17.830   1.2070 -4.962000 2.414000 
1 1 1    3   15   21 o   11.450   1.8230 -2.921000 3.646000 
1 1 1    3   15   22 o   16.990   1.2770 -1.931000 2.554000 
1 1 1    3   15   23 o   16.500   1.3360 3.284000 2.672000 
1 1 1    3   15   24 o   15.910   1.3980 -5.056000 2.797000 
1 1 1    3   15   25 o   8.6260   1.8040 6.088000 3.609000 
1 1 1    3   15   26 o   9.1500   1.9640 -2.841000 3.929000 
1 1 1    3   15   27 o   9.5110   1.9810 4.243000 3.961000 
1 1 1    3   15   28 o   8.1830   1.9830 2.510000 3.965000 
1 1 1    3   16    0 o   38.600   0.8031 -0.000000 0.000000 
1 1 1    3   16    1 o   37.780   0.5716 1.940000 1.143000 
1 1 1    3   16    2 o   27.750   0.7025 1.834000 1.405000 
1 1 1    3   16    3 o   20.050   0.9246 1.152000 1.849000 
1 1 1    3   16    4 o   31.600   0.6333 0.4439000 1.267000 
1 1 1    3   16    5 o   21.530   0.9657 -3.461000 1.931000 
1 1 1    3   16    6 o   7.3810   1.8840 -1.423000 3.768000 
1 1 1    3   16    7 o   30.590   0.6509 0.6245000 1.302000 
1 1 1    3   16    8 o   41.400   0.5553 -1.285000 1.111000 
1 1 1    3   16    9 o   16.570   1.1420 -0.3937000E-01 2.284000 
1 1 1    3   16   10 o   20.200   1.0100 -3.727000 2.020000 
1 1 1    3   16   11 o   26.350   0.7469 0.4189000 1.494000 
1 1 1    3   16   12 o   11.650   1.6590 3.818000 3.319000 
1 1 1    3   16   13 o   16.090   1.2050 1.447000 2.410000 
1 1 1    3   16   14 o   26.660   0.7714 -2.017000 1.543000 
1 1 1    3   16   15 o   17.390   1.1450 -2.959000 2.289000 
1 1 1    3   16   16 o   25.150   0.9171 3.193000 1.834000 
1 1 1    3   16   17 o   7.9440   2.0200 -0.9301000 4.040000 
1 1 1    3   16   18 o   24.400   0.8938 -1.117000 1.788000 
1 1 1    3   16   19 o   8.8620   2.0120 3.074000 4.024000 
1 1 1    3   16   20 o   10.100   1.9450 -3.743000 3.890000 
1 1 1    3   16   21 o   18.330   1.1920 1.474000 2.385000 
1 1 1    3   16   22 o   7.9330   2.0530 0.7725000 4.105000 
1 1 1    3   16   23 o   8.9710   2.0010 -3.246000 4.001000 
1 1 1    3   16   24 o   18.720   1.1510 1.014000 2.301000 
1 1 1    3   16   25 o   9.8470   1.8040 -6.189000 3.608000 
1 1 1    3   16   26 o   7.6260   1.9330 -3.125000 3.866000 
1 1 1    3   16   27 o   15.890   1.2640 1.362000 2.528000 
1 1 1    3   17    0 o   57.260   0.7943 -0.000000 0.000000 
1 1 1    3   17    1 o   9.3440   1.5620 -8.493000 3.123000 
1 1 1    3   17    2 o   12.960   1.5400 -2.325000 3.080000 
1 1 1    3   17    3 o   34.680   0.6266 1.062000 1.253000 
1 1 1    3   17    4 o   21.510   0.9329 2.456000 1.866000 
1 1 1    3   17    5 o   19.960   0.9988 0.2473000 1.998000 
1 1 1    3   17    6 o   33.200   0.6610 2.236000 1.322000 
1 1 1    3   17    7 o   38.250   0.6604 -0.3095000 1.321000 
1 1 1    3   17    8 o   16.790   1.2020 -0.1322000 2.404000 
1 1 1    3   17    9 o   42.590   0.5929 -2.208000 1.186000 
1 1 1    3   17   10 o   6.8600   1.8590 -3.089000 3.718000 
1 1 1    3   17   11 o   16.320   1.2680 -1.350000 2.537000 
1 1 1    3   17   12 o   26.060   0.8136 3.649000 1.627000 
1 1 1    3   17   13 o   30.400   0.7876 3.605000 1.575000 
1 1 1    3   17   14 o   15.470   1.3840 -1.953000 2.769000 
1 1 1    3   17   15 o   14.890   1.4600 1.527000 2.919000 
1 1 1    3   17   16 o   18.120   1.2470 -4.866000 2.495000 
1 1 1    3   17   17 o   12.840   1.7390 7.362000 3.477000 
1 1 1    3   17   18 o   13.410   1.7200 6.627000 3.440000 
1 1 1    3   17   19 o   13.190   1.7180 -2.183000 3.436000 
1 1 1    3   17   20 o   7.7430   2.0400 -1.171000 4.081000 
1 1 1    3   17   21 o   7.1330   1.9830 -1.464000 3.967000 
1 1 1    3   17   22 o   9.4870   2.0360 -0.3166000 4.072000 
1 1 1    3   17   23 o   6.7690   1.9470 0.8040000 3.894000 
1 1 1    3   17   24 o   7.5890   1.9460 -2.988000 3.891000 
1 1 1    3   17   25 o   5.7110   1.7930 -0.8438000E-01 3.585000 
1 1 1    3   17   26 o   9.6330   1.9430 -1.456000 3.886000 
1 1 1    3   18    0 o   44.860   0.8437 -0.000000 0.000000 
1 1 1    3   18    1 o   42.350   0.6089 2.570000 1.218000 
1 1 1    3   18    2 o   30.500   0.7224 0.4390000 1.445000 
1 1 1    3   18    3 o   9.0260   1.8840 -4.680000 3.768000 
1 1 1    3   18    4 o   22.290   0.9827 2.199000 1.965000 
1 1 1    3   18    5 o   16.750   1.4380 -1.701000 2.876000 
1 1 1    3   18    6 o   24.140   0.9012 0.1952000 1.802000 
1 1 1    3   18    7 o   22.580   0.9564 -0.5893000 1.913000 
1 1 1    3   18    8 o   18.800   1.2250 -2.195000 2.451000 
1 1 1    3   18    9 o   19.330   1.2730 -0.4517000 2.547000 
1 1 1    3   18   10 o   21.470   1.0590 -4.465000 2.118000 
1 1 1    3   18   11 o   25.650   0.8867 1.616000 1.773000 
1 1 1    3   18   12 o   12.530   1.7930 -2.810000 3.585000 
1 1 1    3   18   13 o   22.420   1.0000 -0.3687000E-01 2.001000 
1 1 1    3   18   14 o   15.780   1.4710 3.671000 2.942000 
1 1 1    3   18   15 o   12.030   1.9140 -0.5375000 3.829000 
1 1 1    3   18   16 o   6.5320   1.9340 1.538000 3.867000 
1 1 1    3   18   17 o   8.4990   2.0290 3.055000 4.058000 
1 1 1    3   18   18 o   13.670   1.6930 -1.695000 3.385000 
1 1 1    3   18   19 o   12.590   1.7870 -1.593000 3.574000 
1 1 1    3   18   20 o   7.4160   2.0030 -2.168000 4.007000 
1 1 1    3   18   21 o   5.5600   1.7820 0.1399000 3.565000 
1 1 1    3   18   22 o   8.5910   1.8530 5.660000 3.706000 
1 1 1    3   18   23 o   6.9770   1.9670 0.4186000 3.934000 
1 1 1    3   18   24 o   4.7950   1.5980 0.9436000 3.197000 
1 1 1    3   18   25 o   6.6210   2.1320 -0.5501000 4.263000 
1 1 1    3   19    0 o   16.760   1.8700 -0.000000 0.000000 
1 1 1    3   19    1 o   31.230   0.8047 -1.347000 1.609000 
1 1 1    3   19    2 o   19.850   1.1250 -2.209000 2.251000 
1 1 1    3   19    3 f   17.110   1.3140 -3.056000 2.629000 
1 1 1    3   19    4 o   12.180   1.8970 1.184000 3.795000 
1 1 1    3   19    5 o   14.850   1.5640 -0.1366000 3.128000 
1 1 1    3   19    6 o   6.6320   1.8680 4.005000 3.737000 
1 1 1    3   19    7 o   14.640   1.5970 1.121000 3.194000 
1 1 1    3   19    8 o   8.3210   2.1260 1.099000 4.252000 
1 1 1    3   19    9 o   31.720   0.7902 -3.368000 1.580000 
1 1 1    3   19   10 o   32.370   0.7787 1.080000 1.557000 
1 1 1    3   19   11 o   13.680   1.7660 -1.748000 3.531000 
1 1 1    3   19   12 o   16.130   1.4720 -1.118000 2.944000 
1 1 1    3   19   13 o   17.990   1.3390 4.080000 2.679000 
1 1 1    3   19   14 o   10.810   1.9670 4.339000 3.935000 
1 1 1    3   19   15 f   7.0000   2.0100 1.316000 4.020000 
1 1 1    3   19   16 o   13.860   1.6540 -1.438000 3.307000 
1 1 1    3   19   17 o   6.5520   1.9080 -2.972000 3.817000 
1 1 1    3   19   18 o   8.2930   2.0670 -2.025000 4.135000 
1 1 1    3   19   19 o   7.6740   2.0440 1.515000 4.088000 
1 1 1    3   19   20 o   6.4700   1.9270 0.8900000 3.854000 
1 1 1    3   19   21 o   6.6920   1.9530 -1.077000 3.906000 
1 1 1    3   19   22 o   8.9540   1.9230 4.348000 3.845000 
1 1 1    3   19   23 o   5.5580   1.7600 -0.8197000 3.520000 
1 1 1    3   20    0 o   13.220   2.5600 -0.000000 0.000000 
1 1 1    3   20    1 o   5.7200   1.8330 1.273000 3.665000 
1 1 1    3   20    2 o   6.7890   1.9920 -1.807000 3.984000 
1 1 1    3   20    3 o   10.570   2.0290 4.267000 4.059000 
1 1 1    3   20    4 o   22.160   1.0920 -1.333000 2.185000 
1 1 1    3   20    5 o   14.550   1.7280 -2.896000 3.455000 
1 1 1    3   20    6 o   7.4280   2.0930 -1.365000 4.187000 
1 1 1    3   20    7 o   11.050   2.0400 -4.312000 4.079000 
1 1 1    3   20    8 o   8.6140   1.9650 -5.470000 3.931000 
1 1 1    3   20    9 o   7.9190   1.9950 4.658000 3.989000 
1 1 1    3   20   10 o   6.5980   1.9960 0.5730000 3.991000 
1 1 1    3   20   11 o   6.3710   1.9450 1.864000 3.890000 
1 1 1    3   20   12 o   19.570   1.2460 -1.347000 2.491000 
1 1 1    3   20   13 o   6.2970   1.9400 1.315000 3.880000 
1 1 1    3   20   14 f   14.170   1.6690 1.839000 3.339000 
1 1 1    3   20   15 o   9.8860   1.9980 -3.447000 3.996000 
1 1 1    3   20   16 o   7.9960   2.0410 2.010000 4.081000 
1 1 1    3   20   17 o   8.8730   1.7670 -7.634000 3.533000 
1 1 1    3   20   18 o   5.5470   1.7980 -0.6584000 3.596000 
1 1 1    3   20   19 o   5.8440   1.8290 -1.677000 3.658000 
1 1 1    3   20   20 o   6.8110   1.9510 1.575000 3.902000 
1 1 1    3   20   21 o   5.7710   1.8060 -0.9541000 3.611000 
1 1 1    3   21    0 o   6.9510   2.9200 -0.000000 0.000000 
1 1 1    3   21    1 o   10.020   2.1420 2.686000 4.285000 
1 1 1    3   21    2 o   7.1960   2.0810 1.408000 4.163000 
1 1 1    3   21    3 o   10.980   2.0940 -3.589000 4.189000 
1 1 1    3   21    4 o   11.420   2.0970 -2.739000 4.194000 
1 1 1    3   21    5 o   12.300   2.0230 -1.841000 4.045000 
1 1 1    3   21    6 o   17.010   1.5670 5.445000 3.133000 
1 1 1    3   21    7 o   14.440   1.7920 4.256000 3.584000 
1 1 1    3   21    8 o   6.3720   1.9650 1.502000 3.931000 
1 1 1    3   21    9 o   12.840   1.9860 3.389000 3.972000 
1 1 1    3   21   10 o   11.140   2.0960 -3.162000 4.193000 
1 1 1    3   21   11 o   7.3460   2.0670 2.147000 4.133000 
1 1 1    3   21   12 o   8.9250   1.9760 5.399000 3.953000 
1 1 1    3   21   13 o   8.6430   2.0990 -2.519000 4.197000 
1 1 1    3   21   14 o   8.1360   2.1210 -0.6149000 4.242000 
1 1 1    3   21   15 o   8.1280   2.0900 -1.489000 4.179000 
1 1 1    3   21   16 o   10.600   1.9250 -5.484000 3.850000 
1 1 1    3   21   17 o   6.6930   1.9600 1.542000 3.920000 
1 1 1    3   21   18 o   6.6850   1.9570 -0.8782000 3.914000 
1 1 1    3   21   19 o   6.7520   1.9400 1.621000 3.879000 
1 1 1    3   22    0 o   12.660   2.9070 -0.000000 0.000000 
1 1 1    3   22    1 o   12.450   2.0600 -1.891000 4.120000 
1 1 1    3   22    2 o   9.4010   2.2230 -1.937000 4.446000 
1 1 1    3   22    3 o   9.0390   2.2240 2.198000 4.448000 
1 1 1    3   22    4 o   9.8400   2.1420 4.494000 4.284000 
1 1 1    3   22    5 f   22.250   1.1870 -0.1615000 2.375000 
1 1 1    3   22    6 o   13.110   1.9590 -3.440000 3.919000 
1 1 1    3   22    7 o   12.480   1.9960 2.771000 3.992000 
1 1 1    3   22    8 o   11.240   2.1350 -0.6507000 4.270000 
1 1 1    3   22    9 f   7.8500   2.0390 -4.165000 4.078000 
1 1 1    3   22   10 o   10.180   2.1100 2.439000 4.219000 
1 1 1    3   22   11 o   7.7590   2.0920 1.628000 4.185000 
1 1 1    3   22   12 o   8.4630   2.1310 -0.9956000 4.262000 
1 1 1    3   22   13 o   7.9210   2.0860 0.3519000E-01 4.171000 
1 1 1    3   22   14 o   7.3580   2.0320 -1.004000 4.065000 
1 1 1    3   22   15 o   10.200   1.9860 -1.867000 3.971000 
1 1 1    3   22   16 o   6.7620   1.9160 1.715000 3.833000 
1 1 1    3   22   17 o   8.9640   2.0810 -1.930000 4.162000 
1 1 1    3   23    0 o   9.9150   3.1490 -0.000000 0.000000 
1 1 1    3   23    1 o   10.520   2.1630 2.950000 4.326000 
1 1 1    3   23    2 o   9.3840   2.0580 5.647000 4.115000 
1 1 1    3   23    3 o   7.4840   2.0910 2.529000 4.182000 
1 1 1    3   23    4 o   9.8950   2.1860 -1.594000 4.372000 
1 1 1    3   23    5 o   6.6440   1.9720 2.788000 3.944000 
1 1 1    3   23    6 o   7.1580   2.0840 0.8728000E-01 4.167000 
1 1 1    3   23    7 o   7.4780   2.0330 -3.240000 4.066000 
1 1 1    3   23    8 o   5.7500   1.8490 0.6211000 3.699000 
1 1 1    3   23    9 o   11.350   2.0740 0.6468000E-01 4.149000 
1 1 1    3   23   10 o   7.8380   1.8830 5.674000 3.766000 
1 1 1    3   23   11 o   7.6830   2.0500 -1.436000 4.101000 
1 1 1    3   23   12 o   7.2060   1.9560 -2.738000 3.911000 
1 1 1    3   23   13 o   8.8810   2.0140 2.010000 4.027000 
1 1 1    3   23   14 o   8.4050   2.0740 -0.7064000 4.149000 
1 1 1    3   24    0 o   6.9820   2.9530 -0.000000 0.000000 
1 1 1    3   24    1 o   6.0080   1.9200 -2.242000 3.839000 
1 1 1    3   24    2 o   6.6890   2.0370 1.554000 4.073000 
1 1 1    3   24    3 o   6.0100   1.9170 -1.591000 3.834000 
1 1 1    3   24    4 o   9.9580   2.0800 5.056000 4.159000 
1 1 1    3   24    5 o   9.1980   2.2170 0.2367000 4.434000 
1 1 1    3   24    6 o   10.410   2.1490 -1.452000 4.298000 
1 1 1    3   24    7 o   7.3190   2.0610 0.9815000 4.122000 
1 1 1    3   24    8 o   6.3730   1.9010 2.001000 3.802000 
1 1 1    3   24    9 o   7.0910   1.9850 -1.776000 3.969000 
1 1 1    3   24   10 o   10.160   2.4760 -1.045000 4.952000 
1 1 1    3   25    0 o   10.480   3.8420 -0.000000 0.000000 
1 1 1    4    0    4 o   9.8580   0.2599 -0.000000 0.000000 
1 1 1    4    0    5 f   65.090   1.3640 -0.000000 0.000000 
1 1 1    4    0    6 o   7.3590   0.9138 -0.000000 0.000000 
1 1 1    4    0    7 o  108.000   2.2540 -0.000000 0.000000 
1 1 1    4    0    8 o   20.030   0.5880 -0.000000 0.000000 
1 1 1    4    0    9 o   25.200   0.4274 -0.000000 0.000000 
1 1 1    4    0   10 o   46.060   0.6965 -0.000000 0.000000 
1 1 1    4    0   11 o   62.970   0.9400 -0.000000 0.000000 
1 1 1    4    0   12 o  125.300   1.8570 -0.000000 0.000000 
1 1 1    4    0   13 o   17.040   0.4369 -0.000000 0.000000 
1 1 1    4    0   14 o   19.660   0.4535 -0.000000 0.000000 
1 1 1    4    0   15 o   8.6910   0.7432 -0.000000 0.000000 
1 1 1    4    0   16 o   18.910   0.4634 -0.000000 0.000000 
1 1 1    4    0   17 o   5.1340   1.3820 -0.000000 0.000000 
1 1 1    4    0   18 o   43.860   0.6854 -0.000000 0.000000 
1 1 1    4    0   19 o   6.1430   1.4440 -0.000000 0.000000 
1 1 1    4    0   20 o   22.880   0.5479 -0.000000 0.000000 
1 1 1    4    0   21 o   39.230   0.6571 -0.000000 0.000000 
1 1 1    4    0   22 o   9.4140   1.2410 -0.000000 0.000000 
1 1 1    4    0   23 o   23.670   0.6213 -0.000000 0.000000 
1 1 1    4    0   24 o   13.710   0.9473 -0.000000 0.000000 
1 1 1    4    0   25 o   29.260   0.6497 -0.000000 0.000000 
1 1 1    4    0   26 o   23.570   0.7029 -0.000000 0.000000 
1 1 1    4    0   27 o   56.960   0.9008 -0.000000 0.000000 
1 1 1    4    0   28 o   4.7310   1.9990 -0.000000 0.000000 
1 1 1    4    0   29 o   43.820   0.7806 -0.000000 0.000000 
1 1 1    4    0   30 o   18.960   1.0450 -0.000000 0.000000 
1 1 1    4    0   31 o   5.3940   2.2440 -0.000000 0.000000 
1 1 1    4    0   32 f   13.630   1.4810 -0.000000 0.000000 
1 1 1    4    0   33 o   29.790   0.7897 -0.000000 0.000000 
1 1 1    4    0   34 o   10.900   1.8420 -0.000000 0.000000 
1 1 1    4    0   35 o   9.9130   1.9550 -0.000000 0.000000 
1 1 1    4    0   36 o   5.0080   2.1860 -0.000000 0.000000 
1 1 1    4    1    1 o   24.450   0.5538      ?      ? 
1 1 1    4    1    2 o  165.300   1.9870      ?      ? 
1 1 1    4    1    3 f  250.100   2.3840 -7.210000 4.768000 
1 1 1    4    1    4 o   53.550   0.5228 -7.780000 1.046000 
1 1 1    4    1    5 o   47.960   0.4619 1.465000 0.9238000 
1 1 1    4    1    6 o   6.6030   0.5797 4.761000 1.159000 
1 1 1    4    1    7 o   83.810   0.8016 1.622000 1.603000 
1 1 1    4    1    8 o   58.970   0.5662 2.696000 1.132000 
1 1 1    4    1    9 o   49.990   0.4863 -0.6119000 0.9725000 
1 1 1    4    1   10 o   41.240   0.4106 -2.716000 0.8211000 
1 1 1    4    1   11 o  124.400   1.1920 -2.311000 2.384000 
1 1 1    4    1   12 o   81.000   0.8516 2.051000 1.703000 
1 1 1    4    1   13 o  118.100   1.2380 5.544000 2.476000 
1 1 1    4    1   14 o   35.790   0.4075 4.678000 0.8151000 
1 1 1    4    1   15 f   16.840   0.4710 0.2143000 0.9421000 
1 1 1    4    1   16 o   21.870   0.4863 2.491000 0.9725000 
1 1 1    4    1   17 o   37.330   0.6062 -3.121000 1.212000 
1 1 1    4    1   18 o   25.160   0.5246 2.530000 1.049000 
1 1 1    4    1   19 o   53.460   0.8198 4.440000 1.640000 
1 1 1    4    1   20 o   12.630   0.8338 0.6982000 1.668000 
1 1 1    4    1   21 o   44.540   0.7162 0.4820000 1.432000 
1 1 1    4    1   22 o   18.380   0.6766 -3.840000 1.353000 
1 1 1    4    1   23 o   12.710   0.7151 -3.968000 1.430000 
1 1 1    4    1   24 o   45.000   0.5229 4.171000 1.046000 
1 1 1    4    1   25 o   26.510   0.4730 -1.735000 0.9461000 
1 1 1    4    1   26 o   75.040   0.8049 -1.260000 1.610000 
1 1 1    4    1   27 o   25.610   0.5338 -0.2378000 1.068000 
1 1 1    4    1   28 o   32.460   0.5233 1.544000 1.047000 
1 1 1    4    1   29 o   26.990   0.5765 -2.415000 1.153000 
1 1 1    4    1   30 o   33.220   0.5545 -2.845000 1.109000 
1 1 1    4    1   31 o   25.240   0.6405 2.780000 1.281000 
1 1 1    4    1   32 f   6.9140   1.6880 -0.5606000 3.376000 
1 1 1    4    1   33 o   6.0750   1.6590 -0.6228000E-01 3.318000 
1 1 1    4    1   34 o   11.640   1.2500 0.3348000 2.501000 
1 1 1    4    1   35 o   8.7380   1.4510 4.866000 2.903000 
1 1 1    4    1   36 o   6.9080   1.9900 -0.6087000 3.979000 
1 1 1    4    2    0 o  149.300   1.5550 -0.000000 0.000000 
1 1 1    4    2    1 o   76.260   0.5647 5.526000 1.129000 
1 1 1    4    2    2 o   48.770   0.3930 -8.340000 0.7860000 
1 1 1    4    2    3 o   33.070   0.3396 -0.1304000 0.6793000 
1 1 1    4    2    4 o  104.500   0.8938 -14.26000 1.788000 
1 1 1    4    2    5 o   74.120   0.6353 1.940000 1.271000 
1 1 1    4    2    6 o   54.700   0.4750 -4.318000 0.9499000 
1 1 1    4    2    7 o   71.860   0.6178 -5.311000 1.236000 
1 1 1    4    2    8 o   84.240   0.8081 -1.709000 1.616000 
1 1 1    4    2    9 o   63.970   0.5536 -8.561000 1.107000 
1 1 1    4    2   10 o   27.070   0.3205 -1.092000 0.6411000 
1 1 1    4    2   11 o   96.000   0.9201 -2.037000 1.840000 
1 1 1    4    2   12 o   71.800   0.6923 -0.2641000 1.385000 
1 1 1    4    2   13 o   42.610   0.4704 5.209000 0.9408000 
1 1 1    4    2   14 o   58.340   0.5671 0.6677000 1.134000 
1 1 1    4    2   15 o   51.720   0.5073 3.373000 1.015000 
1 1 1    4    2   16 o   8.9200   0.6346 -0.6216000E-01 1.269000 
1 1 1    4    2   17 o   27.050   0.3529 0.3536000 0.7058000 
1 1 1    4    2   18 o   14.540   0.5061 3.840000 1.012000 
1 1 1    4    2   19 o   37.540   0.4145 1.193000 0.8291000 
1 1 1    4    2   20 o   13.590   0.5864 0.8269000 1.173000 
1 1 1    4    2   21 o   34.620   0.6431      ?      ? 
1 1 1    4    2   22 o   27.600   0.6413      ?      ? 
1 1 1    4    2   23 o   31.500   0.5649 -1.090000 1.130000 
1 1 1    4    2   24 o   42.480   1.0180      ?      ? 
1 1 1    4    2   25 o   14.000   0.9719 1.709000 1.944000 
1 1 1    4    2   26 o   45.850   0.6742 -0.7439000 1.348000 
1 1 1    4    2   27 o   54.030   0.7554 -0.2374000 1.511000 
1 1 1    4    2   28 o   20.790   0.8033 -0.5830000 1.607000 
1 1 1    4    2   29 o   28.770   0.8076      ?      ? 
1 1 1    4    2   30 f   12.930   1.0010 -0.5963000 2.002000 
1 1 1    4    2   31 o   7.5600   1.4310 -5.564000 2.863000 
1 1 1    4    2   32 o   27.920   0.5546 -2.942000 1.109000 
1 1 1    4    2   33 f   19.230   0.7135 -1.667000 1.427000 
1 1 1    4    2   34 o   7.7760   1.5110 2.056000 3.021000 
1 1 1    4    2   35 f   8.0090   1.5010 2.681000 3.003000 
1 1 1    4    3    0 o  153.000   1.5940 -0.000000 0.000000 
1 1 1    4    3    1 o  133.600   0.9853 -10.13000 1.971000 
1 1 1    4    3    2 o   86.970   0.6451 -8.309000 1.290000 
1 1 1    4    3    3 o   87.300   0.6482 10.67000 1.296000 
1 1 1    4    3    4 o   47.290   0.3648 -5.037000 0.7296000 
1 1 1    4    3    5 o  135.100   1.0800 3.858000 2.159000 
1 1 1    4    3    6 o  119.100   0.9498 -2.086000 1.900000 
1 1 1    4    3    7 o   77.360   0.6251 4.313000 1.250000 
1 1 1    4    3    8 o   51.440   0.4571 -6.230000 0.9142000 
1 1 1    4    3    9 o   60.180   0.5250 -0.7451000 1.050000 
1 1 1    4    3   10 o   40.810   0.3795 1.187000 0.7589000 
1 1 1    4    3   11 o   52.550   0.4653 -0.5035000 0.9307000 
1 1 1    4    3   12 o   22.380   0.3805 2.826000 0.7609000 
1 1 1    4    3   13 o   70.720   0.6831 0.6300000 1.366000 
1 1 1    4    3   14 o   61.940   0.6081 -4.733000 1.216000 
1 1 1    4    3   15 o   42.750   0.4427 -0.3651000 0.8854000 
1 1 1    4    3   16 o   27.890   0.3642 0.4091000 0.7284000 
1 1 1    4    3   17 o   16.140   0.4573 -4.459000 0.9147000 
1 1 1    4    3   18 o   41.870   0.4451 -0.7721000 0.8902000 
1 1 1    4    3   19 o   27.570   0.3989 -6.522000 0.7978000 
1 1 1    4    3   20 o   28.740   0.4131 4.680000 0.8262000 
1 1 1    4    3   21 o   21.870   0.4632 -4.959000 0.9264000 
1 1 1    4    3   22 o   44.270   0.4845 -1.853000 0.9690000 
1 1 1    4    3   23 o   16.520   0.6756 -0.4050000 1.351000 
1 1 1    4    3   24 o   34.810   0.4638 -3.948000 0.9276000 
1 1 1    4    3   25 o   12.530   0.9259 -0.1536000 1.852000 
1 1 1    4    3   26 o   14.820   1.3040      ?      ? 
1 1 1    4    3   27 o   35.040   0.5122 0.1516000 1.024000 
1 1 1    4    3   28 o   7.2650   1.8530 -0.9920000 3.706000 
1 1 1    4    3   29 o   20.810   0.9261 -2.777000 1.852000 
1 1 1    4    3   30 o   5.3840   1.7130 -1.414000 3.426000 
1 1 1    4    3   31 o   21.300   0.9653 0.5514000 1.931000 
1 1 1    4    3   32 o   26.270   0.8076 0.5020000 1.615000 
1 1 1    4    3   33 o   15.080   1.3090 0.2984000 2.618000 
1 1 1    4    3   34 o   6.3860   1.4740 5.687000 2.948000 
1 1 1    4    3   35 o   7.3070   1.5260 2.272000 3.053000 
1 1 1    4    4    0 o   59.250   0.6361 -0.000000 0.000000 
1 1 1    4    4    1 f   65.240   0.4930 10.35000 0.9861000 
1 1 1    4    4    2 o  116.100   0.8588 6.322000 1.718000 
1 1 1    4    4    3 f   56.050   0.4293 3.021000 0.8586000 
1 1 1    4    4    4 o   38.200   0.3232 -8.302000 0.6465000 
1 1 1    4    4    5 o   16.170   0.3532 1.091000 0.7063000 
1 1 1    4    4    6 o   21.000   0.3064 -4.229000 0.6129000 
1 1 1    4    4    7 o   23.880   0.3027 -4.853000 0.6054000 
1 1 1    4    4    8 o   87.670   0.7005 -9.537000 1.401000 
1 1 1    4    4    9 o   59.740   0.4919 -2.457000 0.9837000 
1 1 1    4    4   10 o  106.600   0.8530 0.1652000 1.706000 
1 1 1    4    4   11 o   32.250   0.3335 0.7064000 0.6669000 
1 1 1    4    4   12 o   47.870   0.4117 0.8870000 0.8234000 
1 1 1    4    4   13 o   26.440   0.3380 -7.749000 0.6760000 
1 1 1    4    4   14 o   6.6080   0.9853 0.6555000 1.971000 
1 1 1    4    4   15 o   39.990   0.4330 -0.6774000 0.8659000 
1 1 1    4    4   16 o   25.010   0.3940 -2.516000 0.7880000 
1 1 1    4    4   17 o   23.860   0.4342 -2.773000 0.8684000 
1 1 1    4    4   18 o   16.740   0.5080 -0.8966000 1.016000 
1 1 1    4    4   19 o   8.0510   1.0910 1.782000 2.181000 
1 1 1    4    4   20 o   8.2970   1.1850 2.161000 2.371000 
1 1 1    4    4   21 o   30.820   0.4405 -5.246000 0.8809000 
1 1 1    4    4   22 o   22.730   0.5016 -2.314000 1.003000 
1 1 1    4    4   23 o   18.750   0.6007 1.216000 1.201000 
1 1 1    4    4   24 f   12.880   0.9706 3.590000 1.941000 
1 1 1    4    4   25 o   23.600   0.5670 -1.826000 1.134000 
1 1 1    4    4   26 o   24.740   0.5771 -0.9663000E-02 1.154000 
1 1 1    4    4   27 o   10.170   1.5280 0.5148000 3.056000 
1 1 1    4    4   28 o   21.200   0.8209 -1.915000 1.642000 
1 1 1    4    4   29 o   14.610   1.0750 0.6113000 2.150000 
1 1 1    4    4   30 o   15.870   1.0090 -1.013000 2.018000 
1 1 1    4    4   31 o   9.8200   1.6350 -0.9066000 3.269000 
1 1 1    4    4   32 o   15.530   1.1690 2.284000 2.338000 
1 1 1    4    4   33 o   20.950   1.0070 -0.7281000 2.015000 
1 1 1    4    4   34 o   8.2760   1.8980 2.230000 3.796000 
1 1 1    4    4   35 o   7.4960   1.7480 -2.344000 3.496000 
1 1 1    4    5    0 o  113.700   1.1910 -0.000000 0.000000 
1 1 1    4    5    1 o  127.600   0.9442 7.756000 1.888000 
1 1 1    4    5    2 o  121.600   0.8995 -5.327000 1.799000 
1 1 1    4    5    3 f   78.620   0.5895 0.3850000 1.179000 
1 1 1    4    5    4 o  110.500   0.8188 -1.515000 1.638000 
1 1 1    4    5    5 o   74.350   0.5606 7.433000 1.121000 
1 1 1    4    5    6 o   29.170   0.3180 2.144000 0.6360000 
1 1 1    4    5    7 o  106.600   0.7913 7.699000 1.583000 
1 1 1    4    5    8 o   48.700   0.3931 5.080000 0.7861000 
1 1 1    4    5    9 o   97.530   0.7258 3.180000 1.452000 
1 1 1    4    5   10 o   94.850   0.7628 -1.108000 1.526000 
1 1 1    4    5   11 o   44.840   0.4032 1.534000 0.8064000 
1 1 1    4    5   12 o   83.800   0.6752 -4.599000 1.350000 
1 1 1    4    5   13 o   37.040   0.3645 -1.325000 0.7291000 
1 1 1    4    5   14 o   35.060   0.3660 8.693000 0.7321000 
1 1 1    4    5   15 o   52.150   0.4465 0.8785000 0.8930000 
1 1 1    4    5   16 o   51.750   0.4446 -3.140000 0.8891000 
1 1 1    4    5   17 o   54.500   0.4976 2.282000 0.9951000 
1 1 1    4    5   18 o   74.520   0.6516 -2.504000 1.303000 
1 1 1    4    5   19 o   32.720   0.4045 3.563000 0.8090000 
1 1 1    4    5   20 o   10.140   1.1200 3.189000 2.240000 
1 1 1    4    5   21 o   43.480   0.4467 -0.7118000 0.8934000 
1 1 1    4    5   22 f   20.040   0.5384 0.1956000 1.077000 
1 1 1    4    5   23 o   21.620   0.5746 -3.903000 1.149000 
1 1 1    4    5   24 o   23.930   0.5738 -1.841000 1.148000 
1 1 1    4    5   25 o   18.780   0.7102 -2.851000 1.420000 
1 1 1    4    5   26 o   28.730   0.5038 0.7830000 1.008000 
1 1 1    4    5   27 f   8.7710   1.4640 2.564000 2.929000 
1 1 1    4    5   28 o   21.700   0.6629 2.389000 1.326000 
1 1 1    4    5   29 o   14.540   0.9756 -0.6363000 1.951000 
1 1 1    4    5   30 o   35.630   0.5210 0.3398000 1.042000 
1 1 1    4    5   31 o   22.050   0.7071 1.122000 1.414000 
1 1 1    4    5   32 o   16.270   0.9382 0.7256000E-01 1.876000 
1 1 1    4    5   33 o   12.000   1.2470 -1.688000 2.495000 
1 1 1    4    5   34 o   8.1760   1.6340 -1.305000 3.268000 
1 1 1    4    5   35 o   5.5950   1.5760 -1.214000 3.153000 
1 1 1    4    6    0 o  131.500   1.3760 -0.000000 0.000000 
1 1 1    4    6    1 o   47.000   0.3902 -7.317000 0.7804000 
1 1 1    4    6    2 o   50.060   0.4049 -0.1611000 0.8098000 
1 1 1    4    6    3 o   71.020   0.5403 4.337000 1.081000 
1 1 1    4    6    4 o   34.870   0.3398 -0.3501000 0.6795000 
1 1 1    4    6    5 o   29.710   0.3667 -1.038000 0.7334000 
1 1 1    4    6    6 f   41.600   0.3653 0.9552000 0.7305000 
1 1 1    4    6    7 o   47.820   0.3951 -0.8906000 0.7902000 
1 1 1    4    6    8 o  102.100   0.7605 5.289000 1.521000 
1 1 1    4    6    9 o   12.010   0.7372 -7.119000 1.474000 
1 1 1    4    6   10 o   59.260   0.4633 2.323000 0.9266000 
1 1 1    4    6   11 o   51.830   0.4178 -1.455000 0.8355000 
1 1 1    4    6   12 o   14.520   0.6038 5.989000 1.208000 
1 1 1    4    6   13 o   73.290   0.6041 5.956000 1.208000 
1 1 1    4    6   14 o   26.500   0.4595 -1.410000 0.9190000 
1 1 1    4    6   15 o   50.610   0.4456 1.908000 0.8913000 
1 1 1    4    6   16 o   32.430   0.4052 5.829000 0.8105000 
1 1 1    4    6   17 o   50.920   0.4511 0.4723000 0.9023000 
1 1 1    4    6   18 o   36.540   0.4272 1.564000 0.8545000 
1 1 1    4    6   19 o   23.600   0.5344 -0.4899000 1.069000 
1 1 1    4    6   20 o   20.240   0.5556 -1.843000 1.111000 
1 1 1    4    6   21 o   43.330   0.4615 -0.9957000 0.9230000 
1 1 1    4    6   22 o   34.540   0.4502 -0.2043000 0.9004000 
1 1 1    4    6   23 o   46.250   0.4797 0.8123000 0.9595000 
1 1 1    4    6   24 o   15.190   0.8917 -0.4344000 1.783000 
1 1 1    4    6   25 o   28.660   0.5172 0.1711000E-01 1.034000 
1 1 1    4    6   26 o   32.770   0.5086 1.606000 1.017000 
1 1 1    4    6   27 o   44.400   0.5062 -1.148000 1.012000 
1 1 1    4    6   28 o   22.100   0.6854 -2.490000 1.371000 
1 1 1    4    6   29 o   17.890   0.8374 -1.543000 1.675000 
1 1 1    4    6   30 o   11.890   1.3220 -1.472000 2.645000 
1 1 1    4    6   31 o   12.610   1.2240 0.4031000 2.449000 
1 1 1    4    6   32 o   11.310   1.3930 -0.7294000E-01 2.786000 
1 1 1    4    6   33 o   15.120   1.0150 3.798000 2.031000 
1 1 1    4    6   34 o   5.8430   1.6430 0.1596000 3.285000 
1 1 1    4    6   35 o   17.570   2.3770      ?      ? 
1 1 1    4    7    0 o   42.720   0.5356 -0.000000 0.000000 
1 1 1    4    7    1 o   39.440   0.3667 -2.696000 0.7334000 
1 1 1    4    7    2 o   54.480   0.4385 -7.056000 0.8770000 
1 1 1    4    7    3 o   43.600   0.3831 -2.794000 0.7662000 
1 1 1    4    7    4 o   64.420   0.5000 1.650000 1.000000 
1 1 1    4    7    5 o   26.980   0.3716 -0.4954000 0.7432000 
1 1 1    4    7    6 o   61.370   0.4815 -4.246000 0.9629000 
1 1 1    4    7    7 o   54.920   0.4432 -2.147000 0.8864000 
1 1 1    4    7    8 o   29.420   0.3723 -0.3300000E-01 0.7447000 
1 1 1    4    7    9 o   37.680   0.3706 2.196000 0.7412000 
1 1 1    4    7   10 o   60.130   0.4743 -4.787000 0.9486000 
1 1 1    4    7   11 o   43.580   0.3861 2.344000 0.7722000 
1 1 1    4    7   12 o   58.190   0.4633 -3.024000 0.9265000 
1 1 1    4    7   13 o   46.340   0.4019 2.773000 0.8038000 
1 1 1    4    7   14 o   27.010   0.4245 4.679000 0.8489000 
1 1 1    4    7   15 o   37.310   0.4026 1.061000 0.8051000 
1 1 1    4    7   16 o   25.600   0.4702 0.9222000 0.9404000 
1 1 1    4    7   17 o   9.3690   1.0750 1.273000 2.150000 
1 1 1    4    7   18 o   12.790   0.8054 -0.4469000 1.611000 
1 1 1    4    7   19 o   31.250   0.5082 4.108000 1.016000 
1 1 1    4    7   20 o   16.600   0.8079 2.148000 1.616000 
1 1 1    4    7   21 o   24.600   0.5487 4.747000 1.097000 
1 1 1    4    7   22 o   21.910   0.6013 1.383000 1.203000 
1 1 1    4    7   23 o   20.690   0.6517 1.415000 1.303000 
1 1 1    4    7   24 o   10.220   1.5220 0.1699000 3.043000 
1 1 1    4    7   25 f   21.140   0.6860 -0.7190000 1.372000 
1 1 1    4    7   26 o   20.200   0.7390 0.7451000E-01 1.478000 
1 1 1    4    7   27 o   10.670   1.4740 -2.879000 2.948000 
1 1 1    4    7   28 o   21.680   0.7491 2.747000 1.498000 
1 1 1    4    7   29 o   12.750   1.2910 2.374000 2.582000 
1 1 1    4    7   30 o   18.180   1.0740 -1.053000 2.148000 
1 1 1    4    7   31 o   8.7810   1.7220 1.404000 3.444000 
1 1 1    4    7   32 o   18.790   0.8635 -1.530000 1.727000 
1 1 1    4    7   33 o   7.4340   1.6980 -2.921000 3.395000 
1 1 1    4    7   34 o   8.3210   1.4870 -6.214000 2.975000 
1 1 1    4    8    0 o   63.670   0.7068 -0.000000 0.000000 
1 1 1    4    8    1 o   17.160   0.5543 5.409000 1.109000 
1 1 1    4    8    2 o   85.350   0.6455 5.542000 1.291000 
1 1 1    4    8    3 o  103.400   0.7722 -0.2283000 1.544000 
1 1 1    4    8    4 o   45.850   0.4035 -0.1459000 0.8070000 
1 1 1    4    8    5 o   31.320   0.3803 2.071000 0.7607000 
1 1 1    4    8    6 o   47.740   0.4127 -1.767000 0.8253000 
1 1 1    4    8    7 o   61.050   0.4840 -3.642000 0.9679000 
1 1 1    4    8    8 o   11.600   0.7932 -1.292000 1.586000 
1 1 1    4    8    9 f   18.210   0.5351 2.580000 1.070000 
1 1 1    4    8   10 o   22.360   0.4452 0.5762000 0.8904000 
1 1 1    4    8   11 o   21.690   0.5033 -2.324000 1.007000 
1 1 1    4    8   12 o   27.170   0.4238 5.476000 0.8475000 
1 1 1    4    8   13 o   32.510   0.4303 -4.939000 0.8606000 
1 1 1    4    8   14 o   59.800   0.4808 3.118000 0.9616000 
1 1 1    4    8   15 o   23.130   0.5150 -3.975000 1.030000 
1 1 1    4    8   16 o   4.8500   1.3540 2.432000 2.708000 
1 1 1    4    8   17 f   8.7180   1.2780 -3.636000 2.557000 
1 1 1    4    8   18 o   17.930   0.8317 -4.035000 1.663000 
1 1 1    4    8   19 o   38.850   0.4473 0.3196000 0.8945000 
1 1 1    4    8   20 o   31.860   0.4755 2.801000 0.9510000 
1 1 1    4    8   21 o   46.550   0.4741 -1.004000 0.9482000 
1 1 1    4    8   22 o   26.720   0.5752 -0.6689000E-02 1.150000 
1 1 1    4    8   23 o   23.900   0.7104 0.2788000 1.421000 
1 1 1    4    8   24 o   34.050   0.5423 -1.653000 1.085000 
1 1 1    4    8   25 o   48.260   0.5395 -1.723000 1.079000 
1 1 1    4    8   26 o   13.000   1.2890 1.451000 2.578000 
1 1 1    4    8   27 o   12.590   1.3670 0.3369000 2.734000 
1 1 1    4    8   28 o   7.7290   1.8370 0.1681000 3.674000 
1 1 1    4    8   29 o   19.280   0.9943 0.3113000 1.989000 
1 1 1    4    8   30 o   23.220   0.7784 -0.2541000 1.557000 
1 1 1    4    8   31 o   8.4900   1.7820 -2.680000 3.563000 
1 1 1    4    8   32 o   11.000   1.5410 -2.215000 3.081000 
1 1 1    4    8   33 o   8.0080   1.7570 1.180000 3.514000 
1 1 1    4    8   34 o   7.4500   1.7530 0.4683000 3.506000 
1 1 1    4    9    0 o   5.7230   1.9620 -0.000000 0.000000 
1 1 1    4    9    1 o   37.270   0.4540 4.481000 0.9080000 
1 1 1    4    9    2 o   14.980   0.7045 5.352000 1.409000 
1 1 1    4    9    3 o   67.560   0.5306 0.3761000 1.061000 
1 1 1    4    9    4 o   79.920   0.6116 -1.158000 1.223000 
1 1 1    4    9    5 o   42.060   0.4474 -4.218000 0.8948000 
1 1 1    4    9    6 o   13.490   0.7779 2.016000 1.556000 
1 1 1    4    9    7 o   52.690   0.4471 1.381000 0.8941000 
1 1 1    4    9    8 o   44.420   0.4125 1.918000 0.8250000 
1 1 1    4    9    9 o   62.140   0.4967 -1.139000 0.9933000 
1 1 1    4    9   10 o   20.950   0.5070 1.230000 1.014000 
1 1 1    4    9   11 o   20.770   0.5218 0.6237000 1.044000 
1 1 1    4    9   12 o   33.810   0.4442 -1.949000 0.8884000 
1 1 1    4    9   13 o   40.290   0.4114 0.5668000 0.8227000 
1 1 1    4    9   14 o   43.740   0.4160 -1.725000 0.8320000 
1 1 1    4    9   15 o   7.9740   1.4050 -1.725000 2.810000 
1 1 1    4    9   16 o   36.230   0.4181 -2.991000 0.8362000 
1 1 1    4    9   17 o   17.090   0.7370 2.304000 1.474000 
1 1 1    4    9   18 o   34.600   0.5387 -0.4821000 1.077000 
1 1 1    4    9   19 o   24.710   0.5799 -3.302000 1.160000 
1 1 1    4    9   20 f   44.060   0.4828 1.532000 0.9657000 
1 1 1    4    9   21 o   16.530   0.9529 3.913000 1.906000 
1 1 1    4    9   22 o   17.780   0.8854 0.1288000 1.771000 
1 1 1    4    9   23 f   35.680   0.5556 1.846000 1.111000 
1 1 1    4    9   24 o   35.420   0.5720 -1.825000 1.144000 
1 1 1    4    9   25 o   25.410   0.7604 -0.1475000 1.521000 
1 1 1    4    9   26 o   30.340   0.6546 -0.1943000 1.309000 
1 1 1    4    9   27 f   22.650   0.8285 0.5061000 1.657000 
1 1 1    4    9   28 f   17.130   1.1000 -2.992000 2.201000 
1 1 1    4    9   29 o   12.990   1.6130 6.526000 3.226000 
1 1 1    4    9   30 o   16.850   1.1210 0.1842000 2.243000 
1 1 1    4    9   31 f   21.850   0.8661 -1.470000 1.732000 
1 1 1    4    9   32 o   16.440   1.0720 -0.1943000 2.144000 
1 1 1    4    9   33 o   4.7470   1.5420 1.530000 3.084000 
1 1 1    4   10    0 o   14.830   1.0620 -0.000000 0.000000 
1 1 1    4   10    1 o   60.190   0.4929 0.1483000 0.9858000 
1 1 1    4   10    2 o   39.700   0.4182 3.231000 0.8364000 
1 1 1    4   10    3 o   53.590   0.4597 0.9788000 0.9194000 
1 1 1    4   10    4 o   59.030   0.4875 3.449000 0.9751000 
1 1 1    4   10    5 f   47.620   0.4377 1.474000 0.8755000 
1 1 1    4   10    6 o   46.050   0.4698 5.854000 0.9396000 
1 1 1    4   10    7 o   37.820   0.4198 -0.5307000E-01 0.8396000 
1 1 1    4   10    8 o   61.090   0.4968 0.9943000E-01 0.9937000 
1 1 1    4   10    9 o   15.600   0.7097 1.183000 1.419000 
1 1 1    4   10   10 o   33.180   0.4302 -0.9703000 0.8605000 
1 1 1    4   10   11 o   11.940   1.0340 -0.5675000 2.068000 
1 1 1    4   10   12 o   33.360   0.4260 -1.377000 0.8519000 
1 1 1    4   10   13 o   38.850   0.4232 0.2243000 0.8465000 
1 1 1    4   10   14 o   45.730   0.4345 -1.318000 0.8690000 
1 1 1    4   10   15 o   17.310   0.6881 0.9877000 1.376000 
1 1 1    4   10   16 o   6.0590   1.5400 0.9888000 3.079000 
1 1 1    4   10   17 o   42.560   0.4463 1.300000 0.8925000 
1 1 1    4   10   18 o   28.350   0.5654 -1.693000 1.131000 
1 1 1    4   10   19 o   35.580   0.5179 3.683000 1.036000 
1 1 1    4   10   20 o   43.540   0.5060 -0.6424000 1.012000 
1 1 1    4   10   21 o   14.300   1.2440 3.017000 2.489000 
1 1 1    4   10   22 o   20.430   0.9282 -1.723000 1.856000 
1 1 1    4   10   23 o   26.370   0.6756 -2.932000 1.351000 
1 1 1    4   10   24 o   52.670   0.5492 -0.2268000 1.098000 
1 1 1    4   10   25 o   31.190   0.6717 1.704000 1.343000 
1 1 1    4   10   26 o   20.640   0.9754 -2.760000 1.951000 
1 1 1    4   10   27 o   20.870   0.9678 -2.035000 1.936000 
1 1 1    4   10   28 o   14.110   1.4600 -3.198000 2.920000 
1 1 1    4   10   29 o   15.770   1.2650 0.2903000 2.530000 
1 1 1    4   10   30 o   12.950   1.5840 4.851000 3.167000 
1 1 1    4   10   31 o   18.110   1.0840 3.589000 2.168000 
1 1 1    4   10   32 o   12.240   1.5300 -0.7671000 3.060000 
1 1 1    4   10   33 o   11.790   1.6470 -4.544000 3.295000 
1 1 1    4   11    0 o   29.620   0.6723 -0.000000 0.000000 
1 1 1    4   11    1 o   33.740   0.4476 -3.638000 0.8952000 
1 1 1    4   11    2 o   6.2590   1.5420 0.5919000E-02 3.084000 
1 1 1    4   11    3 o   51.490   0.4605 -0.6500000 0.9210000 
1 1 1    4   11    4 o   13.820   0.8836 2.073000 1.767000 
1 1 1    4   11    5 o   34.850   0.4461 -5.996000 0.8921000 
1 1 1    4   11    6 o   9.9110   1.2450 -2.054000 2.489000 
1 1 1    4   11    7 o   23.570   0.5503 -1.214000 1.101000 
1 1 1    4   11    8 o   6.4150   1.5310 -1.391000 3.061000 
1 1 1    4   11    9 o   20.950   0.6103 -3.305000 1.221000 
1 1 1    4   11   10 f   25.610   0.5175 0.2292000 1.035000 
1 1 1    4   11   11 o   5.8290   1.4840 3.321000 2.968000 
1 1 1    4   11   12 o   21.410   0.6003 3.411000 1.201000 
1 1 1    4   11   13 o   37.680   0.4493 -2.452000 0.8986000 
1 1 1    4   11   14 o   14.910   1.0070 2.709000 2.015000 
1 1 1    4   11   15 f   31.520   0.4761 1.095000 0.9521000 
1 1 1    4   11   16 o   35.120   0.4760 2.652000 0.9521000 
1 1 1    4   11   17 o   12.570   1.3300 -4.828000 2.660000 
1 1 1    4   11   18 o   15.890   1.1360 6.148000 2.272000 
1 1 1    4   11   19 o   9.5680   1.5890 5.173000 3.178000 
1 1 1    4   11   20 o   23.770   0.6691 -1.949000 1.338000 
1 1 1    4   11   21 o   12.940   1.4180 -3.595000 2.836000 
1 1 1    4   11   22 o   19.940   1.0250 0.1414000 2.050000 
1 1 1    4   11   23 o   41.970   0.5646 -0.2355000 1.129000 
1 1 1    4   11   24 o   6.2460   1.8590 -0.4118000 3.718000 
1 1 1    4   11   25 o   15.260   1.2690 0.8037000 2.538000 
1 1 1    4   11   26 o   20.030   1.0750 -4.782000 2.151000 
1 1 1    4   11   27 o   13.030   1.6520 -2.398000 3.304000 
1 1 1    4   11   28 o   7.0330   1.8780 3.453000 3.756000 
1 1 1    4   11   29 o   6.4240   1.8960 0.4689000 3.791000 
1 1 1    4   11   30 o   20.940   0.9952 0.4103000 1.990000 
1 1 1    4   11   31 o   21.570   0.9590 -1.053000 1.918000 
1 1 1    4   11   32 o   9.1980   1.8820 2.615000 3.765000 
1 1 1    4   12    0 o   60.890   0.7234 -0.000000 0.000000 
1 1 1    4   12    1 o   37.490   0.4557 1.132000 0.9115000 
1 1 1    4   12    2 o   28.470   0.5087 3.767000 1.017000 
1 1 1    4   12    3 o   46.830   0.4557 0.8861000 0.9114000 
1 1 1    4   12    4 o   8.1820   1.5250 -0.7332000 3.050000 
1 1 1    4   12    5 o   23.820   0.5797 3.618000 1.159000 
1 1 1    4   12    6 o   22.710   0.6104 -5.265000 1.221000 
1 1 1    4   12    7 o   6.3060   1.5670 3.797000 3.135000 
1 1 1    4   12    8 o   50.770   0.4748 -1.396000 0.9496000 
1 1 1    4   12    9 o   59.060   0.5073 3.960000 1.015000 
1 1 1    4   12   10 o   27.150   0.5918 2.017000 1.184000 
1 1 1    4   12   11 o   63.290   0.5272 3.796000 1.054000 
1 1 1    4   12   12 o   30.240   0.5487 -0.5741000E-02 1.097000 
1 1 1    4   12   13 o   30.750   0.5482 -0.8814000 1.096000 
1 1 1    4   12   14 o   53.340   0.4859 -3.038000 0.9719000 
1 1 1    4   12   15 o   27.950   0.5640 0.8662000 1.128000 
1 1 1    4   12   16 o   16.720   1.3560 7.395000 2.711000 
1 1 1    4   12   17 o   10.420   1.5710 4.668000 3.142000 
1 1 1    4   12   18 o   29.670   0.5838 1.005000 1.168000 
1 1 1    4   12   19 o   16.750   1.0250 -1.236000 2.051000 
1 1 1    4   12   20 o   22.190   0.8478 2.605000 1.696000 
1 1 1    4   12   21 o   18.350   0.9587 3.903000 1.917000 
1 1 1    4   12   22 o   18.330   1.0690 -1.184000 2.137000 
1 1 1    4   12   23 o   17.600   1.1540 5.294000 2.307000 
1 1 1    4   12   24 o   19.080   1.2320 0.6845000 2.463000 
1 1 1    4   12   25 o   6.4050   1.8210 -2.409000 3.641000 
1 1 1    4   12   26 o   23.280   0.9104 -1.043000 1.821000 
1 1 1    4   12   27 o   13.870   1.6590 2.750000 3.319000 
1 1 1    4   12   28 o   8.7830   1.9630 -4.190000 3.925000 
1 1 1    4   12   29 o   17.190   1.2700 4.056000 2.540000 
1 1 1    4   12   30 o   15.990   1.3120 3.320000 2.624000 
1 1 1    4   12   31 o   6.2720   1.8700 -0.1058000 3.740000 
1 1 1    4   13    0 o   16.270   1.2220 -0.000000 0.000000 
1 1 1    4   13    1 o   25.680   0.5935 0.5417000 1.187000 
1 1 1    4   13    2 o   28.510   0.5408 -0.6024000 1.082000 
1 1 1    4   13    3 o   10.500   1.3710 1.360000 2.742000 
1 1 1    4   13    4 o   12.160   1.1760 2.565000 2.352000 
1 1 1    4   13    5 o   25.460   0.5826 -0.7698000 1.165000 
1 1 1    4   13    6 o   36.460   0.4879 -0.3261000 0.9759000 
1 1 1    4   13    7 o   20.970   0.7717 0.4578000 1.543000 
1 1 1    4   13    8 o   31.110   0.5382 0.9821000 1.076000 
1 1 1    4   13    9 o   15.100   0.9997 3.193000 1.999000 
1 1 1    4   13   10 o   31.460   0.5307 1.893000 1.061000 
1 1 1    4   13   11 o   28.590   0.6487 -1.348000 1.297000 
1 1 1    4   13   12 o   27.390   0.6225 0.9058000 1.245000 
1 1 1    4   13   13 o   44.080   0.5237 -0.2800000 1.047000 
1 1 1    4   13   14 o   50.140   0.4973 -2.453000 0.9946000 
1 1 1    4   13   15 o   51.030   0.4999 0.4579000 0.9999000 
1 1 1    4   13   16 o   6.2910   1.7210 0.8211000 3.441000 
1 1 1    4   13   17 o   32.430   0.5751 2.010000 1.150000 
1 1 1    4   13   18 o   21.800   0.7899 2.106000 1.580000 
1 1 1    4   13   19 f   37.020   0.5577 -0.5136000 1.115000 
1 1 1    4   13   20 o   22.920   0.8738 -1.028000 1.748000 
1 1 1    4   13   21 o   26.090   0.7426 2.281000 1.485000 
1 1 1    4   13   22 o   16.850   1.1960 -6.047000 2.392000 
1 1 1    4   13   23 o   8.0840   1.8580 4.862000 3.715000 
1 1 1    4   13   24 o   17.640   1.2350 0.4028000 2.470000 
1 1 1    4   13   25 o   10.200   1.9810 -2.133000 3.961000 
1 1 1    4   13   26 o   10.950   1.8990 -4.175000 3.798000 
1 1 1    4   13   27 o   17.980   1.2030 3.840000 2.407000 
1 1 1    4   13   28 o   18.860   1.1150 -0.8810000E-01 2.231000 
1 1 1    4   13   29 o   16.800   1.2820 1.875000 2.563000 
1 1 1    4   13   30 o   6.9600   1.9410 0.7030000 3.881000 
1 1 1    4   14    0 o   47.920   0.7067 -0.000000 0.000000 
1 1 1    4   14    1 o   19.350   0.8111 0.3239000 1.622000 
1 1 1    4   14    2 o   31.640   0.5571 1.226000 1.114000 
1 1 1    4   14    3 o   42.690   0.4953 -0.4915000 0.9906000 
1 1 1    4   14    4 o   33.850   0.5394 -3.355000 1.079000 
1 1 1    4   14    5 o   40.090   0.5070 2.475000 1.014000 
1 1 1    4   14    6 o   14.160   1.1150 0.6565000 2.229000 
1 1 1    4   14    7 o   39.090   0.5620 -1.212000 1.124000 
1 1 1    4   14    8 o   22.590   0.7496 4.430000 1.499000 
1 1 1    4   14    9 o   48.460   0.5071 0.9420000 1.014000 
1 1 1    4   14   10 o   29.230   0.7455 -1.205000 1.491000 
1 1 1    4   14   11 o   19.820   0.8912 1.226000 1.782000 
1 1 1    4   14   12 o   37.470   0.5768 -2.154000 1.154000 
1 1 1    4   14   13 o   28.600   0.6144 1.466000 1.229000 
1 1 1    4   14   14 o   19.600   0.8776 -3.801000 1.755000 
1 1 1    4   14   15 o   39.460   0.5386 0.1971000 1.077000 
1 1 1    4   14   16 o   9.8600   1.6820 4.152000 3.363000 
1 1 1    4   14   17 f   14.530   1.2400 -1.382000 2.481000 
1 1 1    4   14   18 o   13.230   1.4440 3.906000 2.888000 
1 1 1    4   14   19 o   19.090   1.1510 6.693000 2.302000 
1 1 1    4   14   20 o   23.660   0.8591 5.632000 1.718000 
1 1 1    4   14   21 o   11.240   1.7800 -0.5644000 3.559000 
1 1 1    4   14   22 o   32.070   0.6919 -0.1421000 1.384000 
1 1 1    4   14   23 o   20.300   1.0260 0.1074000 2.052000 
1 1 1    4   14   24 o   30.190   0.7336 0.5283000 1.467000 
1 1 1    4   14   25 o   24.880   0.9322 -1.469000 1.864000 
1 1 1    4   14   26 o   8.6920   2.0280 -2.077000 4.056000 
1 1 1    4   14   27 o   13.440   1.6610 -3.248000 3.322000 
1 1 1    4   14   28 o   9.7320   1.9470 3.477000 3.893000 
1 1 1    4   14   29 f   6.2240   1.8080 3.192000 3.615000 
1 1 1    4   15    0 o   19.500   1.2550 -0.000000 0.000000 
1 1 1    4   15    1 o   47.230   0.5216 -1.106000 1.043000 
1 1 1    4   15    2 o   12.140   1.4200 -2.722000 2.840000 
1 1 1    4   15    3 o   28.090   0.6446 1.359000 1.289000 
1 1 1    4   15    4 o   19.600   0.8819 -0.8258000 1.764000 
1 1 1    4   15    5 o   13.580   1.2560 -0.7568000 2.512000 
1 1 1    4   15    6 o   49.130   0.5260 -0.3550000 1.052000 
1 1 1    4   15    7 o   42.020   0.5782 3.416000 1.156000 
1 1 1    4   15    8 o   13.360   1.3380 1.557000 2.676000 
1 1 1    4   15    9 o   27.670   0.7219 2.428000 1.444000 
1 1 1    4   15   10 o   11.290   1.5800 -4.876000 3.160000 
1 1 1    4   15   11 o   22.680   0.9364 -0.1004000 1.873000 
1 1 1    4   15   12 o   47.860   0.5280 -0.3792000 1.056000 
1 1 1    4   15   13 f   16.910   1.0820 3.587000 2.164000 
1 1 1    4   15   14 o   34.630   0.5987 -1.463000 1.197000 
1 1 1    4   15   15 o   6.2920   1.8100 1.442000 3.619000 
1 1 1    4   15   16 o   43.760   0.5610 1.210000 1.122000 
1 1 1    4   15   17 o   13.680   1.4600 -3.179000 2.919000 
1 1 1    4   15   18 o   19.120   1.0360 -0.8183000 2.072000 
1 1 1    4   15   19 o   20.550   0.9966 1.921000 1.993000 
1 1 1    4   15   20 o   11.100   1.8420 3.904000 3.683000 
1 1 1    4   15   21 o   7.5680   2.0040 0.2317000 4.008000 
1 1 1    4   15   22 o   27.140   0.8131 -1.610000 1.626000 
1 1 1    4   15   23 o   25.930   0.8538 0.9691000 1.708000 
1 1 1    4   15   24 o   19.640   1.0810 0.7597000 2.161000 
1 1 1    4   15   25 o   8.7870   1.8630 5.266000 3.726000 
1 1 1    4   15   26 o   11.160   1.9570 1.432000 3.915000 
1 1 1    4   15   27 o   12.450   1.7870 0.9625000 3.575000 
1 1 1    4   15   28 o   6.1620   1.8540 1.098000 3.708000 
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1 1 1    4   16    3 o   8.3290   1.8800 1.564000 3.760000 
1 1 1    4   16    4 o   21.520   0.8702 -3.725000 1.740000 
1 1 1    4   16    5 o   49.040   0.5393 -1.105000 1.079000 
1 1 1    4   16    6 o   6.3050   1.8120 -0.3544000 3.623000 
1 1 1    4   16    7 o   22.210   0.8494 -1.024000 1.699000 
1 1 1    4   16    8 o   20.950   0.8980 -0.6928000 1.796000 
1 1 1    4   16    9 o   13.460   1.4420 -3.457000 2.883000 
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1 1 1    4   16   11 o   18.500   1.0300 0.6845000 2.061000 
1 1 1    4   16   12 o   8.7460   1.7000 6.103000 3.400000 
1 1 1    4   16   13 o   22.550   0.9740 -2.963000 1.948000 
1 1 1    4   16   14 o   20.890   0.9556 0.4916000 1.911000 
1 1 1    4   16   15 o   9.4280   1.9060 -2.050000 3.813000 
1 1 1    4   16   16 o   14.930   1.3760 -1.672000 2.752000 
1 1 1    4   16   17 o   9.4020   1.9990 -0.8403000 3.998000 
1 1 1    4   16   18 o   17.050   1.2760 -0.7457000 2.552000 
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1 1 1    4   16   20 o   5.3810   1.7410 0.5086000E-01 3.482000 
1 1 1    4   16   21 o   12.720   1.7550 -2.262000 3.510000 
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1 1 1    4   16   23 o   17.750   1.2460 -4.597000 2.491000 
1 1 1    4   16   24 o   9.2910   1.9430 3.851000 3.887000 
1 1 1    4   16   25 o   8.7870   2.0230 -1.835000 4.047000 
1 1 1    4   16   26 o   7.2500   1.9230 2.557000 3.845000 
1 1 1    4   16   27 o   9.1940   2.0040 3.378000 4.007000 
1 1 1    4   17    0 o   16.530   1.9000 -0.000000 0.000000 
1 1 1    4   17    1 o   20.730   0.9555 3.481000 1.911000 
1 1 1    4   17    2 o   17.250   1.1290 2.746000 2.258000 
1 1 1    4   17    3 o   35.660   0.6277 2.354000 1.255000 
1 1 1    4   17    4 o   38.880   0.5909 2.001000 1.182000 
1 1 1    4   17    5 o   23.080   0.9192 0.6752000 1.838000 
1 1 1    4   17    6 o   44.820   0.5692 -1.235000 1.138000 
1 1 1    4   17    7 o   12.890   1.6040 -6.490000 3.208000 
1 1 1    4   17    8 o   8.9960   1.9390 2.707000 3.877000 
1 1 1    4   17    9 o   43.240   0.5875 -1.411000 1.175000 
1 1 1    4   17   10 o   8.5640   2.0010 0.6787000 4.001000 
1 1 1    4   17   11 o   14.290   1.5020 3.884000 3.004000 
1 1 1    4   17   12 o   17.630   1.3940 2.367000 2.789000 
1 1 1    4   17   13 o   20.800   1.1370 -5.096000 2.274000 
1 1 1    4   17   14 o   10.500   1.9300 0.1050000 3.859000 
1 1 1    4   17   15 o   9.3000   2.0200 -1.570000 4.040000 
1 1 1    4   17   16 o   12.700   1.7470 5.260000 3.493000 
1 1 1    4   17   17 o   11.480   1.9070 0.5700000 3.815000 
1 1 1    4   17   18 o   7.6090   1.9690 3.394000 3.938000 
1 1 1    4   17   19 o   6.6300   1.8820 -3.361000 3.765000 
1 1 1    4   17   20 o   5.7720   1.7830 -2.690000 3.567000 
1 1 1    4   17   21 o   7.2250   1.9710 -1.991000 3.942000 
1 1 1    4   17   22 o   7.9170   2.0180 -2.316000 4.036000 
1 1 1    4   17   23 o   11.340   1.7580 7.320000 3.516000 
1 1 1    4   17   24 o   10.420   1.8300 -5.553000 3.660000 
1 1 1    4   17   25 o   6.3990   1.8600 2.287000 3.719000 
1 1 1    4   17   26 o   5.8780   1.7350 -3.091000 3.470000 
1 1 1    4   18    0 o   38.990   0.8824 -0.000000 0.000000 
1 1 1    4   18    1 o   11.810   1.8020 -0.5674000 3.604000 
1 1 1    4   18    2 o   13.050   1.6540 1.151000 3.308000 
1 1 1    4   18    3 o   15.950   1.3380 0.5233000 2.675000 
1 1 1    4   18    4 o   26.010   0.8400 3.643000 1.680000 
1 1 1    4   18    5 o   49.010   0.5924 2.121000 1.185000 
1 1 1    4   18    6 o   13.430   1.6200 -0.7952000 3.239000 
1 1 1    4   18    7 o   14.920   1.4600 -0.5963000 2.920000 
1 1 1    4   18    8 o   18.350   1.1940 1.166000 2.388000 
1 1 1    4   18    9 o   54.910   0.5932 1.557000 1.186000 
1 1 1    4   18   10 o   20.360   1.0950 3.809000 2.191000 
1 1 1    4   18   11 o   13.690   1.6960 7.384000 3.392000 
1 1 1    4   18   12 o   18.100   1.2320 1.802000 2.464000 
1 1 1    4   18   13 o   19.360   1.1500 -3.106000 2.301000 
1 1 1    4   18   14 o   10.920   2.0040 -0.8706000 4.007000 
1 1 1    4   18   15 f   13.720   1.6890 1.000000 3.378000 
1 1 1    4   18   16 o   12.090   1.6730 10.65000 3.345000 
1 1 1    4   18   17 o   9.8530   1.6070 9.693000 3.214000 
1 1 1    4   18   18 o   15.400   1.4850 -2.000000 2.970000 
1 1 1    4   18   19 o   10.940   1.9370 -3.406000 3.873000 
1 1 1    4   18   20 o   7.2620   2.0040 -1.527000 4.008000 
1 1 1    4   18   21 o   11.440   1.9200 -1.003000 3.841000 
1 1 1    4   18   22 o   7.9890   1.8670 -5.275000 3.734000 
1 1 1    4   18   23 o   8.0610   1.8910 4.563000 3.783000 
1 1 1    4   18   24 o   6.2880   1.8430 -1.937000 3.687000 
1 1 1    4   18   25 o   10.080   2.2350 6.777000 4.471000 
1 1 1    4   19    0 o   15.130   2.0850 -0.000000 0.000000 
1 1 1    4   19    1 o   22.860   0.9826 0.3525000 1.965000 
1 1 1    4   19    2 f   18.110   1.2540 -1.388000 2.508000 
1 1 1    4   19    3 o   19.840   1.1640 2.456000 2.328000 
1 1 1    4   19    4 o   20.830   1.0980 0.9846000 2.197000 
1 1 1    4   19    5 o   7.9810   1.9520 4.239000 3.904000 
1 1 1    4   19    6 o   13.120   1.7670 0.8107000 3.533000 
1 1 1    4   19    7 o   16.320   1.4300 1.434000 2.859000 
1 1 1    4   19    8 o   19.680   1.1960 -2.274000 2.392000 
1 1 1    4   19    9 o   14.700   1.6360 -1.581000 3.272000 
1 1 1    4   19   10 o   12.160   1.9280 -3.559000 3.856000 
1 1 1    4   19   11 o   17.040   1.4150 -3.463000 2.829000 
1 1 1    4   19   12 o   10.310   2.1180 0.4883000 4.237000 
1 1 1    4   19   13 o   18.870   1.2600 -3.116000 2.519000 
1 1 1    4   19   14 o   19.100   1.2200 0.9777000 2.440000 
1 1 1    4   19   15 o   8.8070   1.9890 -4.462000 3.977000 
1 1 1    4   19   16 o   9.3520   2.0800 -2.700000 4.159000 
1 1 1    4   19   17 o   9.0900   2.1010 1.304000 4.202000 
1 1 1    4   19   18 o   14.230   1.6120 0.6650000 3.223000 
1 1 1    4   19   19 f   11.140   1.9760 1.191000 3.953000 
1 1 1    4   19   20 o   7.7980   2.0020 2.650000 4.004000 
1 1 1    4   19   21 o   7.4430   1.9360 3.605000 3.871000 
1 1 1    4   19   22 o   8.4950   2.0470 0.6193000 4.094000 
1 1 1    4   19   23 o   6.1190   1.8610 0.1621000 3.723000 
1 1 1    4   20    0 o   8.6510   3.0440 -0.000000 0.000000 
1 1 1    4   20    1 o   8.8650   2.0930 3.260000 4.186000 
1 1 1    4   20    2 o   11.140   2.0680 1.125000 4.137000 
1 1 1    4   20    3 f   12.340   2.0500 -4.059000 4.100000 
1 1 1    4   20    4 o   14.990   1.6890 -2.765000 3.379000 
1 1 1    4   20    5 o   9.2600   2.1800 -0.4421000 4.361000 
1 1 1    4   20    6 o   19.650   1.2590 -2.446000 2.518000 
1 1 1    4   20    7 o   18.120   1.3940 4.153000 2.788000 
1 1 1    4   20    8 o   12.150   2.0100 -0.6494000 4.021000 
1 1 1    4   20    9 o   14.790   1.7780 7.508000 3.555000 
1 1 1    4   20   10 o   10.570   1.9900 5.792000 3.980000 
1 1 1    4   20   11 f   16.570   1.5220 3.128000 3.044000 
1 1 1    4   20   12 f   7.4980   2.0110 -3.748000 4.022000 
1 1 1    4   20   13 o   12.580   1.8950 -4.140000 3.789000 
1 1 1    4   20   14 o   10.850   2.0420 -1.704000 4.085000 
1 1 1    4   20   15 o   9.4760   2.0400 2.694000 4.079000 
1 1 1    4   20   16 o   4.9700   1.6580 0.4758000 3.316000 
1 1 1    4   20   17 o   9.7290   2.1090 0.7385000 4.218000 
1 1 1    4   20   18 o   6.3850   1.9210 1.895000 3.842000 
1 1 1    4   20   19 o   7.5150   2.0480 0.8282000 4.096000 
1 1 1    4   20   20 o   6.7090   1.9390 -1.476000 3.878000 
1 1 1    4   20   21 o   8.2110   1.9780 3.214000 3.956000 
1 1 1    4   21    0 o   9.1980   3.1030 -0.000000 0.000000 
1 1 1    4   21    1 f   7.5810   2.1060 1.743000 4.212000 
1 1 1    4   21    2 o   8.8160   2.0640 4.869000 4.128000 
1 1 1    4   21    3 o   7.8860   2.1560 0.6268000 4.313000 
1 1 1    4   21    4 o   8.1680   2.1510 -2.322000 4.302000 
1 1 1    4   21    5 o   10.100   2.1570 2.949000 4.314000 
1 1 1    4   21    6 o   18.860   1.3410 -0.7316000 2.682000 
1 1 1    4   21    7 o  10.0000   2.1380 -3.468000 4.276000 
1 1 1    4   21    8 o   7.4390   2.1030 1.604000 4.205000 
1 1 1    4   21    9 o   10.020   2.1780 2.959000 4.355000 
1 1 1    4   21   10 o   15.250   1.6840 2.494000 3.369000 
1 1 1    4   21   11 o   5.9580   1.8960 -0.3164000 3.791000 
1 1 1    4   21   12 o   6.3640   1.9500 -0.9733000 3.900000 
1 1 1    4   21   13 o   6.2430   1.9220 1.446000 3.843000 
1 1 1    4   21   14 o   7.7900   2.0350 -3.173000 4.069000 
1 1 1    4   21   15 o   6.7660   1.9290 3.096000 3.859000 
1 1 1    4   21   16 o   5.7630   1.8060 -2.322000 3.613000 
1 1 1    4   21   17 o   9.4100   2.0820 -1.675000 4.165000 
1 1 1    4   21   18 o   6.6850   1.9610 -0.2148000 3.922000 
1 1 1    4   21   19 o   6.3320   1.8930 1.364000 3.786000 
1 1 1    4   22    0 o   15.050   2.5010 -0.000000 0.000000 
1 1 1    4   22    1 f   6.0980   1.9440 0.6684000 3.889000 
1 1 1    4   22    2 o   7.8760   2.1750 0.7303000 4.350000 
1 1 1    4   22    3 o   10.930   1.8970 8.334000 3.794000 
1 1 1    4   22    4 o   8.0030   2.2040 -0.1907000 4.408000 
1 1 1    4   22    5 o   11.420   2.1520 3.107000 4.304000 
1 1 1    4   22    6 o   8.7690   2.2100 -1.845000 4.419000 
1 1 1    4   22    7 o   9.1320   2.2200 0.4908000E-01 4.440000 
1 1 1    4   22    8 o   16.400   1.5570 -1.558000 3.113000 
1 1 1    4   22    9 o   9.3660   2.1500 3.208000 4.300000 
1 1 1    4   22   10 o   7.7580   2.1150 1.111000 4.229000 
1 1 1    4   22   11 o   9.3580   2.1110 -2.670000 4.223000 
1 1 1    4   22   12 o   8.5300   1.9940 -4.805000 3.988000 
1 1 1    4   22   13 o   6.3890   1.9230 1.394000 3.847000 
1 1 1    4   22   14 o   7.7710   2.0450 1.942000 4.091000 
1 1 1    4   22   15 o   9.1830   1.9900 3.408000 3.981000 
1 1 1    4   22   16 o   7.0180   1.9460 -2.081000 3.892000 
1 1 1    4   22   17 o   8.7250   2.1090 0.2055000 4.219000 
1 1 1    4   23    0 o   6.3370   2.9030 -0.000000 0.000000 
1 1 1    4   23    1 o   16.520   1.5770 -2.001000 3.154000 
1 1 1    4   23    2 o   10.880   2.1790 -1.118000 4.357000 
1 1 1    4   23    3 o   7.2140   2.0960 0.8492000 4.193000 
1 1 1    4   23    4 o   8.3140   2.1820 -0.9778000 4.364000 
1 1 1    4   23    5 o   10.170   2.1930 0.3721000 4.385000 
1 1 1    4   23    6 o   7.8430   1.9850 5.040000 3.970000 
1 1 1    4   23    7 o   7.5350   2.1010 -1.512000 4.202000 
1 1 1    4   23    8 o   8.8610   2.1240 3.135000 4.249000 
1 1 1    4   23    9 o   9.3200   2.1290 2.629000 4.258000 
1 1 1    4   23   10 o   6.3770   1.9440 -0.9265000 3.887000 
1 1 1    4   23   11 o   8.3960   2.0870 1.775000 4.175000 
1 1 1    4   23   12 o   7.2450   1.9900 1.179000 3.980000 
1 1 1    4   23   13 o   9.7790   1.9250 4.002000 3.849000 
1 1 1    4   23   14 o   8.3500   2.1150 4.326000 4.230000 
1 1 1    4   24    0 f   10.250   3.1480 -0.000000 0.000000 
1 1 1    4   24    1 o   7.0580   2.0980 -0.5072000 4.196000 
1 1 1    4   24    2 o   8.2340   2.1920 2.149000 4.383000 
1 1 1    4   24    3 o   8.2400   2.2110 0.6165000 4.422000 
1 1 1    4   24    4 f   8.5800   2.2160 1.046000 4.432000 
1 1 1    4   24    5 o   7.9740   2.1500 -1.932000 4.300000 
1 1 1    4   24    6 o  10.0000   2.1640 -1.788000 4.328000 
1 1 1    4   24    7 o   11.690   1.9940 0.3588000 3.988000 
1 1 1    4   24    8 o   8.4720   1.8490 6.156000 3.698000 
1 1 1    4   24    9 o   8.1160   2.0660 -0.1106000 4.131000 
1 1 1    4   24   10 o   9.1350   2.3580 4.203000 4.716000 
1 1 1    5    0    2 o   47.050   0.6990 -0.000000 0.000000 
1 1 1    5    0    3 o   34.140   0.5140 -0.000000 0.000000 
1 1 1    5    0    4 o   4.9390   0.3064 -0.000000 0.000000 
1 1 1    5    0    6 o   44.040   0.9396 -0.000000 0.000000 
1 1 1    5    0    7 o   83.370   1.2780 -0.000000 0.000000 
1 1 1    5    0    8 o  119.100   2.4880 -0.000000 0.000000 
1 1 1    5    0    9 o  145.600   2.1800 -0.000000 0.000000 
1 1 1    5    0   10 o   20.830   0.3953 -0.000000 0.000000 
1 1 1    5    0   11 o   99.750   1.4830 -0.000000 0.000000 
1 1 1    5    0   12 o  144.600   2.1470 -0.000000 0.000000 
1 1 1    5    0   13 o   45.420   0.6940 -0.000000 0.000000 
1 1 1    5    0   14 f   50.770   0.7693 -0.000000 0.000000 
1 1 1    5    0   15 o   8.5600   0.7301 -0.000000 0.000000 
1 1 1    5    0   16 o   48.330   0.7363 -0.000000 0.000000 
1 1 1    5    0   17 o   26.190   0.4957 -0.000000 0.000000 
1 1 1    5    0   18 o   4.0510   1.4780 -0.000000 0.000000 
1 1 1    5    0   19 o   20.880   0.5398 -0.000000 0.000000 
1 1 1    5    0   20 o   22.150   0.5520 -0.000000 0.000000 
1 1 1    5    0   21 o   33.320   0.6014 -0.000000 0.000000 
1 1 1    5    0   22 o   31.340   0.6017 -0.000000 0.000000 
1 1 1    5    0   23 o   6.4290   1.7400 -0.000000 0.000000 
1 1 1    5    0   24 o   42.250   0.7059 -0.000000 0.000000 
1 1 1    5    0   25 f   5.5980   1.9270 -0.000000 0.000000 
1 1 1    5    0   26 o   35.220   0.6787 -0.000000 0.000000 
1 1 1    5    0   27 f   79.580   1.2030 -0.000000 0.000000 
1 1 1    5    0   28 o   4.0560   1.8470 -0.000000 0.000000 
1 1 1    5    0   29 o   8.4860   2.0580 -0.000000 0.000000 
1 1 1    5    0   30 o   33.560   0.7736 -0.000000 0.000000 
1 1 1    5    0   32 o   6.2340   2.3140 -0.000000 0.000000 
1 1 1    5    0   33 o   14.850   1.3170 -0.000000 0.000000 
1 1 1    5    0   34 o   14.690   1.3400 -0.000000 0.000000 
1 1 1    5    0   35 o   5.0330   2.1310 -0.000000 0.000000 
1 1 1    5    0   36 o   6.6130   2.4230 -0.000000 0.000000 
1 1 1    5    1    2 o   83.510   1.2320      ?      ? 
1 1 1    5    1    3 o  140.400   1.3320 3.172000 2.664000 
1 1 1    5    1    4 o  112.000   1.0680 -2.357000 2.137000 
1 1 1    5    1    5 o  130.400   1.2430 -0.1355000 2.486000 
1 1 1    5    1    6 o   36.850   0.3263 -0.3159000 0.6527000 
1 1 1    5    1    7 o   88.700   0.7601 -4.623000 1.520000 
1 1 1    5    1    8 o   93.660   0.8036 -2.893000 1.607000 
1 1 1    5    1    9 o   55.210   0.5304 6.574000 1.061000 
1 1 1    5    1   10 o   39.250   0.3904 1.417000 0.7808000 
1 1 1    5    1   11 o   95.830   0.9209 -1.423000 1.842000 
1 1 1    5    1   12 o  123.900   1.1890 -1.422000 2.378000 
1 1 1    5    1   13 f  104.600   1.0020 1.490000 2.003000 
1 1 1    5    1   14 f   29.230   0.5168      ?      ? 
1 1 1    5    1   15 o   76.210   0.9797 -2.032000 1.959000 
1 1 1    5    1   16 o   32.130   0.5401 1.628000 1.080000 
1 1 1    5    1   17 o   22.440   0.5124 -2.288000 1.025000 
1 1 1    5    1   18 o   43.350   0.6848 -3.990000 1.370000 
1 1 1    5    1   19 o   47.420   0.7419 2.572000 1.484000 
1 1 1    5    1   20 o   19.030   0.6169 1.889000 1.234000 
1 1 1    5    1   21 o   18.420   0.6347 -2.083000 1.269000 
1 1 1    5    1   22 o   38.190   0.5803 -1.820000 1.161000 
1 1 1    5    1   23 o   17.230   0.5249 -1.836000 1.050000 
1 1 1    5    1   24 o   30.160   0.4452 -2.157000 0.8903000 
1 1 1    5    1   25 o   25.920   0.4680 -0.3403000 0.9359000 
1 1 1    5    1   26 o   36.930   0.4934 1.964000 0.9869000 
1 1 1    5    1   27 o   15.370   0.7651 0.1402000 1.530000 
1 1 1    5    1   28 o   51.800   0.6040 0.2825000 1.208000 
1 1 1    5    1   29 o   35.140   0.5340 1.072000 1.068000 
1 1 1    5    1   30 o   7.1040   1.5210 3.808000 3.041000 
1 1 1    5    1   31 o   6.8940   1.6500 -1.820000 3.301000 
1 1 1    5    1   32 o   21.720   0.7045 0.4939000 1.409000 
1 1 1    5    1   33 o   7.1160   1.4790 -5.301000 2.958000 
1 1 1    5    1   34 o   12.820   1.1810 -5.504000 2.363000 
1 1 1    5    1   35 o   9.0150   1.4080 -2.403000 2.815000 
1 1 1    5    1   36 o   7.5640   2.7130      ?      ? 
1 1 1    5    2    0 o   63.440   0.6667 -0.000000 0.000000 
1 1 1    5    2    1 o  161.200   1.2800 -4.779000 2.560000 
1 1 1    5    2    2 o   56.420   0.4874 -7.466000 0.9748000 
1 1 1    5    2    3 o   18.440   0.2420 -3.804000 0.4840000 
1 1 1    5    2    4 o  127.400   1.0850 2.157000 2.170000 
1 1 1    5    2    5 o   89.010   0.7610 3.105000 1.522000 
1 1 1    5    2    6 f   76.770   0.6583 -2.632000 1.317000 
1 1 1    5    2    7 o   26.160   0.2783 5.581000 0.5567000 
1 1 1    5    2    8 o  102.200   0.8730 -5.532000 1.746000 
1 1 1    5    2    9 o   13.730   0.3352 -2.647000 0.6704000 
1 1 1    5    2   10 o   21.150   0.3158 3.290000 0.6316000 
1 1 1    5    2   11 o   53.040   0.5159 3.367000 1.032000 
1 1 1    5    2   12 o   86.670   0.8326 -1.855000 1.665000 
1 1 1    5    2   13 o   62.240   0.6035 -0.4087000 1.207000 
1 1 1    5    2   14 o   68.870   0.6607 4.864000 1.321000 
1 1 1    5    2   15 o   31.390   0.3545 1.289000 0.7089000 
1 1 1    5    2   16 o   21.330   0.3658 1.111000 0.7316000 
1 1 1    5    2   17 f   36.470   0.3971 -4.058000 0.7942000 
1 1 1    5    2   18 o   8.7930   0.8424 3.603000 1.685000 
1 1 1    5    2   19 o   21.340   0.4000 0.3664000 0.7999000 
1 1 1    5    2   20 o   19.810   0.4376 0.6479000 0.8752000 
1 1 1    5    2   21 o   42.220   0.4582 -3.095000 0.9164000 
1 1 1    5    2   22 o   21.170   0.5165 -1.849000 1.033000 
1 1 1    5    2   23 o   47.960   0.6767 -2.514000 1.353000 
1 1 1    5    2   24 o   35.000   0.5792 -0.2671000E-01 1.158000 
1 1 1    5    2   25 o   12.420   1.0530 -2.000000 2.107000 
1 1 1    5    2   26 o   23.660   0.6639 -2.136000 1.328000 
1 1 1    5    2   27 o   50.980   0.7311 -2.141000 1.462000 
1 1 1    5    2   28 o   28.490   0.6710 -3.454000 1.342000 
1 1 1    5    2   29 o   30.890   0.5624 0.4635000 1.125000 
1 1 1    5    2   30 o   12.050   1.1140 1.315000 2.227000 
1 1 1    5    2   31 o   17.950   0.7530 -1.422000 1.506000 
1 1 1    5    2   32 o   16.750   0.8099 -1.680000 1.620000 
1 1 1    5    2   33 o   17.000   0.7798 -1.185000 1.560000 
1 1 1    5    2   34 o   8.9100   1.4250 -1.939000 2.850000 
1 1 1    5    2   35 o   5.9800   1.5710 -1.976000 3.141000 
1 1 1    5    3    0 o  169.300   1.7640 -0.000000 0.000000 
1 1 1    5    3    1 f  103.700   0.7664 6.038000 1.533000 
1 1 1    5    3    2 o   16.840   0.2780 7.891000 0.5560000 
1 1 1    5    3    3 o   73.600   0.5484 -1.567000 1.097000 
1 1 1    5    3    4 o  151.000   1.2010 -1.280000 2.402000 
1 1 1    5    3    5 o   16.630   0.3077 0.5074000 0.6154000 
1 1 1    5    3    6 o   55.330   0.4857 3.156000 0.9714000 
1 1 1    5    3    7 f   61.830   0.5377 0.1045000 1.075000 
1 1 1    5    3    8 o   48.150   0.4317 6.997000 0.8634000 
1 1 1    5    3    9 o   44.400   0.4043 -1.030000 0.8086000 
1 1 1    5    3   10 o   51.650   0.4587 -2.391000 0.9174000 
1 1 1    5    3   11 o   93.410   0.8000 1.656000 1.600000 
1 1 1    5    3   12 o   61.930   0.5403 -1.359000 1.081000 
1 1 1    5    3   13 o   26.560   0.3188 4.546000 0.6376000 
1 1 1    5    3   14 o   20.620   0.3668 -0.9053000 0.7336000 
1 1 1    5    3   15 o   34.780   0.4908      ?      ? 
1 1 1    5    3   16 o   23.430   0.3670 2.514000 0.7339000 
1 1 1    5    3   17 o   16.280   0.4606 2.744000 0.9213000 
1 1 1    5    3   18 o   61.850   0.6109 -3.740000 1.222000 
1 1 1    5    3   19 o   32.690   0.4028 -5.106000 0.8056000 
1 1 1    5    3   20 o   34.870   0.4558 -3.160000 0.9115000 
1 1 1    5    3   21 o   32.880   0.4633 -3.781000 0.9267000 
1 1 1    5    3   22 o   46.440   0.4978 1.799000 0.9957000 
1 1 1    5    3   23 o   46.720   0.5052 0.7364000 1.010000 
1 1 1    5    3   24 o   21.980   0.8344      ?      ? 
1 1 1    5    3   25 o   10.190   1.1640 1.470000 2.327000 
1 1 1    5    3   26 o   53.910   0.5728 -1.071000 1.146000 
1 1 1    5    3   27 o   24.340   0.6449 0.5799000 1.290000 
1 1 1    5    3   28 o   22.720   0.8234 -0.3951000 1.647000 
1 1 1    5    3   29 o   22.340   1.3940      ?      ? 
1 1 1    5    3   30 o   13.180   2.3930      ?      ? 
1 1 1    5    3   31 o   7.4170   1.8940 0.7430000 3.788000 
1 1 1    5    3   32 o   8.0830   1.7670 3.905000 3.535000 
1 1 1    5    3   33 o   15.070   1.2930 -0.7712000 2.587000 
1 1 1    5    3   34 o   9.1930   1.6280 1.820000 3.256000 
1 1 1    5    3   35 o   9.9240   1.3710 2.725000 2.741000 
1 1 1    5    4    0 o   22.990   0.3864 -0.000000 0.000000 
1 1 1    5    4    1 o   29.530   0.2846 -1.449000 0.5692000 
1 1 1    5    4    2 o  117.400   0.8693 -12.83000 1.739000 
1 1 1    5    4    3 o   78.770   0.5882 -4.972000 1.176000 
1 1 1    5    4    4 o   11.590   0.4495 -0.4416000E-01 0.8990000 
1 1 1    5    4    5 o   53.540   0.4129 -3.231000 0.8259000 
1 1 1    5    4    6 f  105.400   0.7810 2.161000 1.562000 
1 1 1    5    4    7 o   57.620   0.4792 3.985000 0.9583000 
1 1 1    5    4    8 o   42.940   0.4064 6.302000 0.8128000 
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1 1 1    5    4   14 o   14.560   0.4882 2.696000 0.9763000 
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1 1 1    5    4   28 o   15.360   1.0070 0.4272000 2.015000 
1 1 1    5    4   29 o   33.360   0.5705 0.7626000E-01 1.141000 
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1 1 1    5    5    5 o   30.190   0.3195 6.656000 0.6389000 
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1 1 1    5    5   11 o   27.580   0.3816 1.057000 0.7631000 
1 1 1    5    5   12 o   47.860   0.4226 4.462000 0.8452000 
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1 1 1    5    5   15 o   34.050   0.3570 2.493000 0.7141000 
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1 1 1    5    5   17 o   40.770   0.3894 5.500000 0.7789000 
1 1 1    5    5   18 o   14.490   0.6945 -1.854000 1.389000 
1 1 1    5    5   19 o   19.440   0.4957 2.685000 0.9913000 
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1 1 1    5    5   23 o   50.270   0.4877 -1.959000 0.9754000 
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1 1 1    5    5   26 o   10.540   1.2300 3.829000 2.460000 
1 1 1    5    5   27 o   28.690   0.5210 0.8362000 1.042000 
1 1 1    5    5   28 o   22.330   0.6525 0.4501000 1.305000 
1 1 1    5    5   29 o   25.090   0.6172 1.885000 1.234000 
1 1 1    5    5   30 o   13.440   1.1100 -2.442000 2.220000 
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1 1 1    5    5   34 o   7.7910   1.5300 4.422000 3.059000 
1 1 1    5    5   35 o   9.1770   1.5090 1.289000 3.019000 
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1 1 1    5    6    1 o  100.800   0.7501 1.877000 1.500000 
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1 1 1    5    6    3 o   70.410   0.5370 7.284000 1.074000 
1 1 1    5    6    4 o  108.400   0.8061 8.445000 1.612000 
1 1 1    5    6    5 o   96.580   0.7209 -1.513000 1.442000 
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1 1 1    5    6    7 o   39.780   0.3569 -0.5051000 0.7137000 
1 1 1    5    6    8 o   62.010   0.4807 -0.8595000 0.9613000 
1 1 1    5    6    9 o   80.960   0.6103 -3.883000 1.221000 
1 1 1    5    6   10 o   20.290   0.4546 5.216000 0.9092000 
1 1 1    5    6   11 o  100.700   0.8105 1.271000 1.621000 
1 1 1    5    6   12 o   42.390   0.3993 -1.796000 0.7985000 
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1 1 1    5    6   14 o   79.700   0.6472 -2.457000 1.294000 
1 1 1    5    6   15 o   38.390   0.4095 3.687000 0.8190000 
1 1 1    5    6   16 o   46.690   0.4269 3.007000 0.8538000 
1 1 1    5    6   17 o   12.640   0.6978 1.971000 1.396000 
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1 1 1    5    6   19 o   40.720   0.4399 0.3978000E-01 0.8798000 
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1 1 1    5    6   22 o   11.070   1.0870 4.413000 2.174000 
1 1 1    5    6   23 o   12.290   0.9828 2.674000 1.966000 
1 1 1    5    6   24 o   48.920   0.4995 -0.5260000 0.9991000 
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1 1 1    5    6   28 o   11.350   1.4920 -4.554000 2.984000 
1 1 1    5    6   29 o   11.850   1.5030 5.527000 3.005000 
1 1 1    5    6   30 o   16.290   0.9479 -0.1108000 1.896000 
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1 1 1    5    6   32 o   9.9180   1.5650 -0.2883000 3.131000 
1 1 1    5    6   33 o   11.280   1.4510 2.990000 2.902000 
1 1 1    5    6   34 f   6.7850   1.6550 -2.501000 3.311000 
1 1 1    5    7    0 o   41.680   0.5320 -0.000000 0.000000 
1 1 1    5    7    1 o   93.100   0.6972 -6.037000 1.394000 
1 1 1    5    7    2 o   18.520   0.4880 1.151000 0.9759000 
1 1 1    5    7    3 o   17.480   0.4880 2.976000 0.9760000 
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1 1 1    5    7    7 o   72.890   0.5572 0.3951000E-01 1.114000 
1 1 1    5    7    8 o   34.380   0.3655 0.1306000 0.7311000 
1 1 1    5    7    9 o   76.800   0.5843 4.352000 1.169000 
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1 1 1    5    7   11 o   21.660   0.4386 2.957000 0.8771000 
1 1 1    5    7   12 o   22.070   0.4332 -2.419000 0.8665000 
1 1 1    5    7   13 o   42.580   0.3910 6.372000 0.7820000 
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1 1 1    5    7   26 o   14.820   1.0090 2.596000 2.018000 
1 1 1    5    7   27 o   19.570   0.7930 1.639000 1.586000 
1 1 1    5    7   28 o   14.820   1.0710 2.843000 2.142000 
1 1 1    5    7   29 o   12.020   1.4270 6.241000 2.854000 
1 1 1    5    7   30 o   17.810   1.0670 2.205000 2.135000 
1 1 1    5    7   31 o   12.750   1.2840 -1.126000 2.567000 
1 1 1    5    7   32 o   16.560   0.9845 -2.549000 1.969000 
1 1 1    5    7   33 o   7.6430   1.7370 -1.076000 3.473000 
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1 1 1    5    8    3 o  101.500   0.7582 4.026000 1.516000 
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1 1 1    5    8    9 o   70.830   0.5467 1.342000 1.093000 
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1 1 1    5    8   25 o   18.660   0.9772 3.977000 1.954000 
1 1 1    5    8   26 o   10.760   1.5580 1.753000 3.116000 
1 1 1    5    8   27 o   27.820   0.6612 1.960000 1.322000 
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1 1 1    5   10   30 o   11.790   1.7280 1.638000 3.456000 
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1 1 1    5   11    0 o   34.520   0.6170 -0.000000 0.000000 
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1 1 1    5   11    4 o   25.170   0.5274 -0.2220000 1.055000 
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1 1 1    5   11    9 o   18.380   0.7384 5.534000 1.477000 
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1 1 1    5   11   16 o   46.820   0.4640 2.588000 0.9281000 
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1 1 1    5   11   30 f   26.140   0.8133 0.2820000 1.627000 
1 1 1    5   11   31 o   6.9560   1.9260 -0.5174000 3.852000 
1 1 1    5   11   32 f   12.530   1.6020 6.559000 3.203000 
1 1 1    5   12    0 o   17.130   1.0580 -0.000000 0.000000 
1 1 1    5   12    1 o   21.910   0.6089 -2.932000 1.218000 
1 1 1    5   12    2 o   30.410   0.4885 0.4605000 0.9770000 
1 1 1    5   12    3 o   15.860   0.8783 -6.142000 1.757000 
1 1 1    5   12    4 o   16.750   0.7828 -0.5938000 1.566000 
1 1 1    5   12    5 o   24.630   0.5716 -3.273000 1.143000 
1 1 1    5   12    6 o   14.520   0.9563 3.363000 1.913000 
1 1 1    5   12    7 o   46.110   0.4646 3.549000 0.9292000 
1 1 1    5   12    8 o   26.050   0.6081 1.409000 1.216000 
1 1 1    5   12    9 o   46.460   0.4641 1.068000 0.9282000 
1 1 1    5   12   10 o   48.130   0.4675 1.701000 0.9350000 
1 1 1    5   12   11 o   39.430   0.5026 -0.4102000 1.005000 
1 1 1    5   12   12 o   59.140   0.5083 -0.3285000 1.017000 
1 1 1    5   12   13 o   43.780   0.5013 -3.572000 1.003000 
1 1 1    5   12   14 o   16.290   1.0400 5.506000 2.080000 
1 1 1    5   12   15 o   32.060   0.5191 2.147000 1.038000 
1 1 1    5   12   16 o   43.670   0.4799 -0.4103000 0.9597000 
1 1 1    5   12   17 o   26.970   0.6074 0.6786000 1.215000 
1 1 1    5   12   18 o   16.690   0.9652 3.378000 1.930000 
1 1 1    5   12   19 o   21.960   0.7586 2.011000 1.517000 
1 1 1    5   12   20 o   25.090   0.6953 -1.020000 1.391000 
1 1 1    5   12   21 o   29.920   0.6250 2.420000 1.250000 
1 1 1    5   12   22 o   24.650   0.8115 2.916000 1.623000 
1 1 1    5   12   23 o   9.5910   1.8660 -2.787000 3.733000 
1 1 1    5   12   24 o   41.950   0.7001 -0.9137000 1.400000 
1 1 1    5   12   25 o   14.410   1.4630 -1.290000 2.925000 
1 1 1    5   12   26 o   18.980   1.1100 -0.7799000 2.221000 
1 1 1    5   12   27 o   15.280   1.4240 4.119000 2.847000 
1 1 1    5   12   28 o   10.600   1.9850 0.8398000E-01 3.970000 
1 1 1    5   12   29 o   11.240   1.8910 -0.6029000 3.782000 
1 1 1    5   12   30 o   9.8140   1.9420 3.224000 3.883000 
1 1 1    5   12   31 o   8.5660   1.9330 3.237000 3.866000 
1 1 1    5   13    0 o   16.420   1.2120 -0.000000 0.000000 
1 1 1    5   13    1 o   7.3590   1.6610 -0.9745000 3.322000 
1 1 1    5   13    2 o   21.990   0.6551 2.820000 1.310000 
1 1 1    5   13    3 o   6.0040   1.5510 -2.933000 3.101000 
1 1 1    5   13    4 o   45.610   0.4728 3.047000 0.9456000 
1 1 1    5   13    5 o   43.210   0.4708 -0.7329000 0.9416000 
1 1 1    5   13    6 o   31.130   0.5245 -4.049000 1.049000 
1 1 1    5   13    7 o   45.100   0.4821 -4.007000 0.9642000 
1 1 1    5   13    8 o   45.830   0.4878 -1.189000 0.9755000 
1 1 1    5   13    9 f   30.560   0.5379 -0.1841000 1.076000 
1 1 1    5   13   10 o   27.910   0.6156 -2.050000 1.231000 
1 1 1    5   13   11 o   49.150   0.4873 3.568000 0.9747000 
1 1 1    5   13   12 o   38.640   0.4928 -0.1802000 0.9856000 
1 1 1    5   13   13 o   48.160   0.4919 -1.048000 0.9838000 
1 1 1    5   13   14 o   14.370   1.1700 -3.901000 2.340000 
1 1 1    5   13   15 o   26.720   0.7166 0.8654000 1.433000 
1 1 1    5   13   16 o   8.2450   1.8170 -0.3495000 3.634000 
1 1 1    5   13   17 o   25.960   0.7237 0.8928000 1.447000 
1 1 1    5   13   18 o   34.020   0.5647 0.6555000 1.129000 
1 1 1    5   13   19 o   23.350   0.8492 -3.358000 1.698000 
1 1 1    5   13   20 o   44.980   0.5334 0.5374000 1.067000 
1 1 1    5   13   21 o   26.070   0.7486 -2.194000 1.497000 
1 1 1    5   13   22 o   20.620   0.9401 2.191000 1.880000 
1 1 1    5   13   23 o   12.970   1.6880 2.003000 3.376000 
1 1 1    5   13   24 o   12.260   1.7530 -7.129000 3.506000 
1 1 1    5   13   25 o   6.7870   1.9580 -0.3722000 3.915000 
1 1 1    5   13   26 o   5.8060   1.8140 -0.8913000 3.628000 
1 1 1    5   13   27 o   10.720   1.8630 -4.327000 3.725000 
1 1 1    5   13   28 o   17.760   1.1630 0.3026000 2.326000 
1 1 1    5   13   29 o   9.1860   2.0370 0.3254000 4.074000 
1 1 1    5   13   30 o   8.0990   2.0030 1.006000 4.005000 
1 1 1    5   14    0 o   49.990   0.7099 -0.000000 0.000000 
1 1 1    5   14    1 o   19.940   0.7947 1.394000 1.589000 
1 1 1    5   14    2 o   33.320   0.5363 0.6356000 1.073000 
1 1 1    5   14    3 o   22.530   0.7162 -0.1160000 1.432000 
1 1 1    5   14    4 o   11.670   1.3510 -0.5521000 2.702000 
1 1 1    5   14    5 o   37.510   0.5139 -2.299000 1.028000 
1 1 1    5   14    6 o   22.950   0.7060 -1.500000 1.412000 
1 1 1    5   14    7 o   36.960   0.5239 -2.978000 1.048000 
1 1 1    5   14    8 o   39.570   0.5146 -0.2748000 1.029000 
1 1 1    5   14    9 o   48.090   0.5074 -3.405000 1.015000 
1 1 1    5   14   10 o   46.170   0.5050 0.4218000 1.010000 
1 1 1    5   14   11 o   16.960   0.9583 -1.938000 1.917000 
1 1 1    5   14   12 o   21.600   0.7712 -1.581000 1.542000 
1 1 1    5   14   13 o   20.900   0.7929 -2.381000 1.586000 
1 1 1    5   14   14 o   5.5590   1.6590 0.6820000 3.318000 
1 1 1    5   14   15 o   9.2930   1.9390 -1.890000 3.877000 
1 1 1    5   14   16 o   7.9920   1.7470 -4.690000 3.493000 
1 1 1    5   14   17 o   13.500   1.4010 -3.175000 2.802000 
1 1 1    5   14   18 o   15.300   1.3600 -2.958000 2.719000 
1 1 1    5   14   19 o   36.420   0.6334 0.4099000 1.267000 
1 1 1    5   14   20 o   18.690   1.0500 2.059000 2.099000 
1 1 1    5   14   21 o   9.5330   1.8650 -3.718000 3.730000 
1 1 1    5   14   22 o   18.400   1.1280 0.1036000 2.255000 
1 1 1    5   14   23 o   13.700   1.5540 -1.681000 3.107000 
1 1 1    5   14   24 o   10.430   2.0060 -1.512000 4.013000 
1 1 1    5   14   25 o   18.050   1.2560 -0.9983000 2.511000 
1 1 1    5   14   26 o   8.3420   2.0630 2.181000 4.126000 
1 1 1    5   14   27 o   9.8430   1.8980 -4.100000 3.797000 
1 1 1    5   14   28 o   13.030   1.6380 1.344000 3.276000 
1 1 1    5   14   29 o   8.8960   1.7720 6.227000 3.544000 
1 1 1    5   15    0 o   33.870   0.8099 -0.000000 0.000000 
1 1 1    5   15    1 o   42.120   0.5772 1.818000 1.154000 
1 1 1    5   15    2 o   30.930   0.6139 4.681000 1.228000 
1 1 1    5   15    3 o   44.240   0.5211 -0.5440000 1.042000 
1 1 1    5   15    4 o   11.700   1.4390 0.7530000 2.878000 
1 1 1    5   15    5 o   49.420   0.5183 -3.246000 1.037000 
1 1 1    5   15    6 o   33.670   0.5779 0.3292000 1.156000 
1 1 1    5   15    7 o   17.450   0.9913 -2.910000 1.983000 
1 1 1    5   15    8 o   41.070   0.5405 0.3201000 1.081000 
1 1 1    5   15    9 o   40.970   0.5430 1.063000 1.086000 
1 1 1    5   15   10 o   13.470   1.3410 2.246000 2.682000 
1 1 1    5   15   11 o   52.520   0.5350 -2.310000 1.070000 
1 1 1    5   15   12 o   16.520   1.1760 0.2680000E-01 2.352000 
1 1 1    5   15   13 o   34.270   0.5911 0.2314000 1.182000 
1 1 1    5   15   14 o   21.510   0.8831 -4.964000 1.766000 
1 1 1    5   15   15 o   13.540   1.4690 5.643000 2.938000 
1 1 1    5   15   16 o   30.580   0.7340 2.436000 1.468000 
1 1 1    5   15   17 o   15.150   1.2930 1.789000 2.586000 
1 1 1    5   15   18 o   10.590   1.7690 -4.773000 3.539000 
1 1 1    5   15   19 o   15.280   1.4260 5.252000 2.852000 
1 1 1    5   15   20 o   19.370   1.0860 -1.001000 2.172000 
1 1 1    5   15   21 o   12.420   1.7310 7.267000 3.463000 
1 1 1    5   15   22 o   10.430   1.8300 6.903000 3.661000 
1 1 1    5   15   23 o   12.520   1.8630 0.4669000 3.725000 
1 1 1    5   15   24 o   10.860   1.8660 -4.231000 3.732000 
1 1 1    5   15   25 o   9.1610   2.0990 -0.2424000 4.198000 
1 1 1    5   15   26 o   14.680   1.5330 -0.2813000E-01 3.066000 
1 1 1    5   15   27 o   7.3340   2.0200 0.7962000 4.040000 
1 1 1    5   15   28 o   9.3310   1.9990 -3.307000 3.998000 
1 1 1    5   16    0 o   12.570   2.0520 -0.000000 0.000000 
1 1 1    5   16    1 o   31.190   0.6280 -1.327000 1.256000 
1 1 1    5   16    2 o   49.210   0.5393 -1.579000 1.079000 
1 1 1    5   16    3 o   8.7520   1.8560 2.321000 3.712000 
1 1 1    5   16    4 o   24.050   0.7930 0.9851000 1.586000 
1 1 1    5   16    5 o   13.600   1.5770 4.399000 3.155000 
1 1 1    5   16    6 o   14.660   1.2670 -1.152000 2.534000 
1 1 1    5   16    7 o   14.780   1.2590 1.385000 2.518000 
1 1 1    5   16    8 o   34.830   0.6086 -0.6519000 1.217000 
1 1 1    5   16    9 o   8.7630   1.9820 0.4459000 3.965000 
1 1 1    5   16   10 o   20.460   0.9366 1.855000 1.873000 
1 1 1    5   16   11 o   40.060   0.5792 1.971000 1.158000 
1 1 1    5   16   12 o   24.760   0.8002 0.7513000 1.600000 
1 1 1    5   16   13 o   32.970   0.6467 -1.772000 1.293000 
1 1 1    5   16   14 o   28.630   0.7216 2.094000 1.443000 
1 1 1    5   16   15 o   16.880   1.2210 4.549000 2.441000 
1 1 1    5   16   16 o   9.0790   1.9620 -2.151000 3.924000 
1 1 1    5   16   17 o   15.140   1.4010 -1.608000 2.801000 
1 1 1    5   16   18 o   15.080   1.4480 -0.4140000 2.897000 
1 1 1    5   16   19 o   6.2380   1.8660 -2.048000 3.731000 
1 1 1    5   16   20 o   7.9530   1.9990 2.436000 3.998000 
1 1 1    5   16   21 o   7.3240   1.9770 -2.507000 3.953000 
1 1 1    5   16   22 o   8.6300   2.0790 0.6512000E-02 4.158000 
1 1 1    5   16   23 o   14.180   1.5540 -1.477000 3.108000 
1 1 1    5   16   24 o   11.610   1.8650 0.2939000 3.731000 
1 1 1    5   16   25 o   15.370   1.4420 3.612000 2.883000 
1 1 1    5   16   26 o   8.6220   2.0970 0.4287000 4.194000 
1 1 1    5   16   27 o   15.610   1.3900 2.977000 2.780000 
1 1 1    5   17    0 o   6.8540   2.6610 -0.000000 0.000000 
1 1 1    5   17    1 o   22.480   0.8526 0.5976000 1.705000 
1 1 1    5   17    2 o   15.340   1.2530 0.1728000 2.505000 
1 1 1    5   17    3 o   29.160   0.7044 -2.496000 1.409000 
1 1 1    5   17    4 o   18.260   1.0840 -3.423000 2.167000 
1 1 1    5   17    5 o   9.8670   1.7780 4.945000 3.556000 
1 1 1    5   17    6 o   24.600   0.9215 4.530000 1.843000 
1 1 1    5   17    7 o   18.220   1.0930 -2.407000 2.186000 
1 1 1    5   17    8 o   16.460   1.2210 -0.3357000 2.442000 
1 1 1    5   17    9 o   24.960   0.8535 -5.053000 1.707000 
1 1 1    5   17   10 f   7.8750   2.0710 -0.5213000 4.142000 
1 1 1    5   17   11 o   15.280   1.6270 -6.700000 3.253000 
1 1 1    5   17   12 o   39.950   0.6056 -2.115000 1.211000 
1 1 1    5   17   13 o   18.710   1.2450 -2.799000 2.489000 
1 1 1    5   17   14 o   14.820   1.4290 0.5462000 2.858000 
1 1 1    5   17   15 o   13.840   1.5780 -0.3462000 3.155000 
1 1 1    5   17   16 o   10.170   2.0040 -1.300000 4.008000 
1 1 1    5   17   17 o   9.0650   2.0830 0.9389000 4.166000 
1 1 1    5   17   18 o   6.3230   1.9110 -0.9059000 3.821000 
1 1 1    5   17   19 o   8.0460   2.0770 0.5972000 4.154000 
1 1 1    5   17   20 o   8.4920   2.0510 -2.118000 4.102000 
1 1 1    5   17   21 o   9.7740   2.0430 -0.6050000 4.086000 
1 1 1    5   17   22 o   11.710   1.8610 -2.832000 3.721000 
1 1 1    5   17   23 o   12.270   1.7800 0.5650000 3.560000 
1 1 1    5   17   24 o   8.6350   2.0340 0.2200000 4.067000 
1 1 1    5   17   25 o   8.8650   1.9650 -2.839000 3.930000 
1 1 1    5   17   26 o   10.480   1.8470 -3.231000 3.694000 
1 1 1    5   18    0 f   14.090   2.3910 -0.000000 0.000000 
1 1 1    5   18    1 o   17.910   1.1800 0.3514000 2.361000 
1 1 1    5   18    2 o   12.430   1.7160 3.213000 3.432000 
1 1 1    5   18    3 o   35.770   0.6631 -0.8916000 1.326000 
1 1 1    5   18    4 o   40.880   0.6246 -0.2672000 1.249000 
1 1 1    5   18    5 o   8.1370   2.1680 -1.861000 4.335000 
1 1 1    5   18    6 o   18.650   1.1790 3.393000 2.359000 
1 1 1    5   18    7 o   10.450   1.9430 -2.239000 3.886000 
1 1 1    5   18    8 o   20.720   1.0550 -1.782000 2.109000 
1 1 1    5   18    9 o   10.150   2.0960 2.473000 4.191000 
1 1 1    5   18   10 o   17.660   1.2520 1.107000 2.504000 
1 1 1    5   18   11 o   36.290   0.6795 -0.1216000 1.359000 
1 1 1    5   18   12 o   14.310   1.6040 4.693000 3.207000 
1 1 1    5   18   13 o   10.970   1.8660 -5.659000 3.732000 
1 1 1    5   18   14 o   5.2710   1.7210 1.131000 3.441000 
1 1 1    5   18   15 o   17.610   1.2920 1.180000 2.584000 
1 1 1    5   18   16 o   25.900   0.8905 1.729000 1.781000 
1 1 1    5   18   17 o   10.650   1.9500 4.160000 3.901000 
1 1 1    5   18   18 o   10.120   2.0290 -2.624000 4.057000 
1 1 1    5   18   19 o   10.830   1.9570 3.550000 3.915000 
1 1 1    5   18   20 o   8.5130   2.0570 -2.046000 4.113000 
1 1 1    5   18   21 o   10.840   1.9890 0.4780000 3.978000 
1 1 1    5   18   22 o   7.7370   2.0530 -2.206000 4.106000 
1 1 1    5   18   23 o   6.5290   1.8910 2.109000 3.781000 
1 1 1    5   18   24 o   8.4850   1.9640 -2.522000 3.928000 
1 1 1    5   18   25 f   13.090   2.9130 1.080000 5.825000 
1 1 1    5   19    0 o   9.4210   2.9510 -0.000000 0.000000 
1 1 1    5   19    1 o   10.280   1.9620 -4.344000 3.924000 
1 1 1    5   19    2 o   21.550   1.0580 1.387000 2.115000 
1 1 1    5   19    3 o   15.000   1.5190 0.6187000 3.037000 
1 1 1    5   19    4 o   11.010   1.9570 4.050000 3.914000 
1 1 1    5   19    5 o   11.780   2.0640 -0.8606000 4.127000 
1 1 1    5   19    6 o   10.220   2.0670 0.4809000 4.133000 
1 1 1    5   19    7 o   12.080   1.9170 1.487000 3.834000 
1 1 1    5   19    8 f   27.050   0.8932 -0.9508000 1.786000 
1 1 1    5   19    9 o   6.2040   1.8450 3.531000 3.689000 
1 1 1    5   19   10 o   17.070   1.4160 3.426000 2.832000 
1 1 1    5   19   11 o   9.7360   2.0600 -4.198000 4.121000 
1 1 1    5   19   12 o   11.820   1.9920 1.545000 3.985000 
1 1 1    5   19   13 o   7.4730   2.0800 0.1329000E-01 4.160000 
1 1 1    5   19   14 o   12.690   1.8550 0.5407000 3.710000 
1 1 1    5   19   15 o   18.820   1.2260 1.612000 2.452000 
1 1 1    5   19   16 o   11.420   1.9080 4.995000 3.817000 
1 1 1    5   19   17 o   6.2420   1.9020 1.474000 3.803000 
1 1 1    5   19   18 o   8.0270   2.0590 2.035000 4.118000 
1 1 1    5   19   19 o   9.2070   2.0220 3.152000 4.044000 
1 1 1    5   19   20 o   6.6660   1.9450 1.202000 3.890000 
1 1 1    5   19   21 o   12.030   1.8260 -0.9330000 3.652000 
1 1 1    5   19   22 o   9.1130   2.0470 -0.1713000 4.094000 
1 1 1    5   19   23 o   6.2180   1.8210 2.758000 3.641000 
1 1 1    5   20    0 o   25.310   1.3480 -0.000000 0.000000 
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1 1 1    5   20    3 o   20.710   1.1880 3.020000 2.377000 
1 1 1    5   20    4 o   12.650   1.9560 -1.387000 3.911000 
1 1 1    5   20    5 o   13.850   1.7930 -0.9693000 3.586000 
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1 1 1    5   20    7 o   28.520   0.8852 -1.258000 1.770000 
1 1 1    5   20    8 o   15.470   1.6250 -1.123000 3.250000 
1 1 1    5   20    9 o   14.420   1.7490 0.1107000 3.498000 
1 1 1    5   20   10 o   11.880   2.0240 1.575000 4.048000 
1 1 1    5   20   11 o   11.780   1.9860 4.237000 3.972000 
1 1 1    5   20   12 o   6.9890   2.0500 0.6704000E-03 4.100000 
1 1 1    5   20   13 o   8.0880   2.0890 -2.565000 4.179000 
1 1 1    5   20   14 o   8.2770   2.0060 -4.106000 4.011000 
1 1 1    5   20   15 o   9.1360   2.0370 3.231000 4.073000 
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1 1 1    5   20   17 o   11.220   1.9900 -0.7356000 3.981000 
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1 1 1    5   20   19 o   9.5190   2.0430 2.313000 4.085000 
1 1 1    5   20   20 o   8.4120   2.0210 2.424000 4.041000 
1 1 1    5   20   21 o   6.6390   1.8220 4.058000 3.645000 
1 1 1    5   21    0 o   8.9780   3.0960 -0.000000 0.000000 
1 1 1    5   21    1 f   9.3100   2.1090 3.691000 4.218000 
1 1 1    5   21    2 o   16.760   1.5340 4.120000 3.068000 
1 1 1    5   21    3 o   14.010   1.8120 1.294000 3.624000 
1 1 1    5   21    4 o   11.340   2.0880 3.702000 4.176000 
1 1 1    5   21    5 o   8.0040   1.9960 5.060000 3.993000 
1 1 1    5   21    6 o   18.720   1.3540 -1.395000 2.708000 
1 1 1    5   21    7 o   8.9070   1.9780 6.041000 3.955000 
1 1 1    5   21    8 o   17.600   1.4330 0.1842000E-01 2.865000 
1 1 1    5   21    9 o   18.830   1.3560 0.9044000 2.711000 
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1 1 1    5   21   11 o   6.0100   1.8970 1.196000 3.795000 
1 1 1    5   21   12 o   10.240   2.1380 0.7452000E-01 4.277000 
1 1 1    5   21   13 o   7.4360   2.0760 0.9798000 4.152000 
1 1 1    5   21   14 o   5.2780   1.7440 0.4414000 3.488000 
1 1 1    5   21   15 o   7.4800   1.9380 4.400000 3.875000 
1 1 1    5   21   16 o   6.0690   1.7940 3.995000 3.589000 
1 1 1    5   21   17 o   9.4910   1.9800 -4.572000 3.961000 
1 1 1    5   21   18 o   6.8020   1.9760 -0.5134000 3.952000 
1 1 1    5   21   19 o   6.5590   1.9030 2.163000 3.807000 
1 1 1    5   22    0 o   12.780   2.9020 -0.000000 0.000000 
1 1 1    5   22    1 o   9.8250   2.2420 0.9497000 4.484000 
1 1 1    5   22    2 o   9.0640   2.2300 1.289000 4.460000 
1 1 1    5   22    3 o   9.7640   2.1930 2.843000 4.386000 
1 1 1    5   22    4 o   9.3530   2.2460 -0.7812000 4.493000 
1 1 1    5   22    5 f   8.6300   2.2420 -1.225000 4.485000 
1 1 1    5   22    6 o   8.1680   2.1990 0.7490000 4.398000 
1 1 1    5   22    7 o   7.7040   2.0320 -4.321000 4.064000 
1 1 1    5   22    8 o   11.310   2.1240 1.046000 4.247000 
1 1 1    5   22    9 o   9.3890   2.0670 4.876000 4.133000 
1 1 1    5   22   10 o   11.640   2.0350 0.8884000 4.070000 
1 1 1    5   22   11 o   11.010   2.0490 -2.280000 4.098000 
1 1 1    5   22   12 o   8.6800   2.0610 3.473000 4.123000 
1 1 1    5   22   13 o   6.0410   1.8590 -2.139000 3.717000 
1 1 1    5   22   14 o   6.4130   1.9330 0.6402000E-01 3.866000 
1 1 1    5   22   15 o   8.7040   1.9360 -4.132000 3.872000 
1 1 1    5   22   16 o   9.8270   1.9890 -1.663000 3.979000 
1 1 1    5   22   17 o   6.6070   2.1210 -0.8204000 4.243000 
1 1 1    5   23    0 o   9.5260   3.1480 -0.000000 0.000000 
1 1 1    5   23    1 o   8.3700   2.2100 -1.084000 4.419000 
1 1 1    5   23    2 o   10.460   2.2080 1.024000 4.416000 
1 1 1    5   23    3 o   14.030   1.8140 -3.879000 3.627000 
1 1 1    5   23    4 o   12.040   1.9740 -5.900000 3.949000 
1 1 1    5   23    5 f   7.6090   2.0890 2.592000 4.178000 
1 1 1    5   23    6 o   9.9750   2.1300 3.350000 4.260000 
1 1 1    5   23    7 o   6.7640   2.0180 1.449000 4.036000 
1 1 1    5   23    8 o   6.4830   1.9730 1.560000 3.947000 
1 1 1    5   23    9 f   6.9140   1.9820 3.079000 3.963000 
1 1 1    5   23   10 o   7.9490   2.0410 -3.472000 4.083000 
1 1 1    5   23   11 o   9.4110   2.0840 1.885000 4.168000 
1 1 1    5   23   12 o   8.5530   1.9580 3.894000 3.916000 
1 1 1    5   23   13 o   5.7400   1.7840 -1.645000 3.567000 
1 1 1    5   23   14 o   7.1820   2.2280 0.9129000 4.455000 
1 1 1    5   24    0 o   12.970   3.2010 -0.000000 0.000000 
1 1 1    5   24    1 o   7.7070   2.1340 -2.197000 4.268000 
1 1 1    5   24    2 o   8.9940   2.1700 -3.509000 4.340000 
1 1 1    5   24    3 o   6.2740   1.9660 1.418000 3.933000 
1 1 1    5   24    4 o  10.0000   2.2150 1.557000 4.430000 
1 1 1    5   24    5 o   7.6480   2.1260 -1.764000 4.252000 
1 1 1    5   24    6 o   8.4520   2.1740 0.5975000 4.349000 
1 1 1    5   24    7 o   9.1240   2.1290 -1.296000 4.257000 
1 1 1    5   24    8 o   8.4340   2.0240 3.433000 4.047000 
1 1 1    5   24    9 f   6.9040   1.9710 1.612000 3.942000 
1 1 1    5   24   10 o   7.0990   2.2430 0.7783000 4.487000 
1 1 1    6    0    2 o  177.300   2.1330 -0.000000 0.000000 
1 1 1    6    0    3 o   76.140   0.9195 -0.000000 0.000000 
1 1 1    6    0    4 o   42.370   0.5185 -0.000000 0.000000 
1 1 1    6    0    5 o   72.110   1.0800 -0.000000 0.000000 
1 1 1    6    0    7 o   16.720   0.6128 -0.000000 0.000000 
1 1 1    6    0    8 o   67.840   1.4260 -0.000000 0.000000 
1 1 1    6    0   10 o  164.100   2.4610 -0.000000 0.000000 
1 1 1    6    0   11 f   72.780   1.0920 -0.000000 0.000000 
1 1 1    6    0   12 o   46.990   0.7169 -0.000000 0.000000 
1 1 1    6    0   13 o  109.900   1.6360 -0.000000 0.000000 
1 1 1    6    0   14 o   6.2570   0.9184 -0.000000 0.000000 
1 1 1    6    0   15 o   10.070   0.5906 -0.000000 0.000000 
1 1 1    6    0   16 o   7.7350   0.8142 -0.000000 0.000000 
1 1 1    6    0   17 o   25.000   0.4822 -0.000000 0.000000 
1 1 1    6    0   18 o   54.470   0.8298 -0.000000 0.000000 
1 1 1    6    0   19 o   17.660   0.5591 -0.000000 0.000000 
1 1 1    6    0   20 o   11.860   0.8025 -0.000000 0.000000 
1 1 1    6    0   21 o   27.430   0.5638 -0.000000 0.000000 
1 1 1    6    0   22 o   10.970   0.9822 -0.000000 0.000000 
1 1 1    6    0   23 o   52.080   0.8151 -0.000000 0.000000 
1 1 1    6    0   24 o   30.140   0.6140 -0.000000 0.000000 
1 1 1    6    0   25 o   20.210   0.7253 -0.000000 0.000000 
1 1 1    6    0   26 o   11.640   1.1970 -0.000000 0.000000 
1 1 1    6    0   27 o   16.460   0.9820 -0.000000 0.000000 
1 1 1    6    0   28 o   16.930   1.0110 -0.000000 0.000000 
1 1 1    6    0   29 o   26.520   0.7863 -0.000000 0.000000 
1 1 1    6    0   30 o   35.900   0.7716 -0.000000 0.000000 
1 1 1    6    0   31 o   6.4890   2.3130 -0.000000 0.000000 
1 1 1    6    0   32 o   22.180   0.9439 -0.000000 0.000000 
1 1 1    6    0   33 o   13.050   1.5020 -0.000000 0.000000 
1 1 1    6    0   34 o   12.420   1.5410 -0.000000 0.000000 
1 1 1    6    0   35 o   4.8570   2.1140 -0.000000 0.000000 
1 1 1    6    0   36 o   5.3210   2.4390 -0.000000 0.000000 
1 1 1    6    1    2 o   54.010   0.8017      ?      ? 
1 1 1    6    1    3 o   70.720   0.7398 4.526000 1.480000 
1 1 1    6    1    4 o  101.700   0.9642 5.139000 1.928000 
1 1 1    6    1    5 o  110.300   1.0540 -1.283000 2.108000 
1 1 1    6    1    6 o   48.560   0.4698 0.6251000 0.9397000 
1 1 1    6    1    7 o   31.500   0.2890 -0.1235000 0.5781000 
1 1 1    6    1    8 o   37.730   0.4141 7.520000 0.8282000 
1 1 1    6    1    9 o   72.830   0.7110 -6.601000 1.422000 
1 1 1    6    1   10 o   76.590   0.7384 2.140000 1.477000 
1 1 1    6    1   11 f  105.800   1.0150 2.791000 2.030000 
1 1 1    6    1   12 o   53.290   0.5216 -0.7988000 1.043000 
1 1 1    6    1   13 o   60.300   0.5832 2.916000 1.166000 
1 1 1    6    1   15 o   21.870   0.4743      ?      ? 
1 1 1    6    1   16 o   5.0040   1.0550 -1.959000 2.110000 
1 1 1    6    1   17 o   21.880   0.6540      ?      ? 
1 1 1    6    1   18 f   17.900   0.5848 -1.099000 1.170000 
1 1 1    6    1   19 o   60.260   0.9151 1.559000 1.830000 
1 1 1    6    1   20 o   16.690   0.7158 -3.998000 1.432000 
1 1 1    6    1   21 o   29.780   0.8923      ?      ? 
1 1 1    6    1   22 o   28.070   0.5468 0.7238000 1.094000 
1 1 1    6    1   23 o   21.080   0.4633 -1.591000 0.9267000 
1 1 1    6    1   24 o   15.540   0.5880 -1.860000 1.176000 
1 1 1    6    1   25 o   35.350   0.4725 -0.2289000 0.9449000 
1 1 1    6    1   26 o   66.150   0.7180 -2.830000 1.436000 
1 1 1    6    1   27 o   17.820   0.6524 -1.080000 1.305000 
1 1 1    6    1   28 o   18.370   0.7004 -2.195000 1.401000 
1 1 1    6    1   29 o   46.540   0.5746 -2.221000 1.149000 
1 1 1    6    1   30 o   4.8830   1.4910 -1.119000 2.982000 
1 1 1    6    1   31 o   9.7140   1.3630 3.365000 2.726000 
1 1 1    6    1   32 o   16.720   0.8028 1.922000 1.606000 
1 1 1    6    1   33 o   11.160   1.2200 2.881000 2.440000 
1 1 1    6    1   34 o   10.750   1.1600 -0.9136000 2.320000 
1 1 1    6    1   35 o   6.2050   1.4310 2.983000 2.863000 
1 1 1    6    1   36 o   6.8810   2.6660      ?      ? 
1 1 1    6    2    0 o   14.380   0.4250 -0.000000 0.000000 
1 1 1    6    2    1 o   68.670   0.5891 -1.588000 1.178000 
1 1 1    6    2    2 o   83.200   0.7104 -2.199000 1.421000 
1 1 1    6    2    3 o   25.860   0.3235 -6.110000 0.6469000 
1 1 1    6    2    4 o   56.150   0.4853 -3.447000 0.9707000 
1 1 1    6    2    5 o   13.380   0.3029 -3.481000 0.6058000 
1 1 1    6    2    6 o   44.070   0.4400 3.769000 0.8800000 
1 1 1    6    2    7 o   59.220   0.5138 -8.421000 1.028000 
1 1 1    6    2    8 o  111.600   0.9535 3.236000 1.907000 
1 1 1    6    2    9 o   82.170   0.7052 5.007000 1.410000 
1 1 1    6    2   10 o  120.000   1.0250 1.744000 2.049000 
1 1 1    6    2   11 o  125.800   1.0750 3.778000 2.149000 
1 1 1    6    2   12 o   55.660   0.5445 -0.6244000 1.089000 
1 1 1    6    2   13 o   39.430   0.5143      ?      ? 
1 1 1    6    2   14 o   56.220   0.5498 -0.4316000 1.100000 
1 1 1    6    2   15 o   60.060   0.7397      ?      ? 
1 1 1    6    2   16 o   36.540   0.3909 -0.9725000 0.7819000 
1 1 1    6    2   17 o   51.190   0.5094 -0.3623000 1.019000 
1 1 1    6    2   18 o   7.7130   0.9125 -0.6006000 1.825000 
1 1 1    6    2   19 o   21.940   0.3912 1.311000 0.7824000 
1 1 1    6    2   20 o   32.740   0.4936      ?      ? 
1 1 1    6    2   21 o   7.1210   1.1190 1.449000 2.239000 
1 1 1    6    2   22 o   29.980   0.4583 2.814000 0.9166000 
1 1 1    6    2   23 o   14.220   0.8143 -0.9281000 1.629000 
1 1 1    6    2   24 o   26.480   0.5720 -0.3489000 1.144000 
1 1 1    6    2   25 o   29.240   0.5833 -0.4374000 1.167000 
1 1 1    6    2   26 o   30.080   0.6014 -0.5135000 1.203000 
1 1 1    6    2   27 o   49.760   0.7106 1.350000 1.421000 
1 1 1    6    2   28 o   27.360   0.6755 -0.5536000 1.351000 
1 1 1    6    2   29 f   22.990   0.6615 -1.919000 1.323000 
1 1 1    6    2   30 o   10.640   1.2360 0.1612000 2.472000 
1 1 1    6    2   31 o   16.720   0.8007 -0.4716000 1.601000 
1 1 1    6    2   32 o   21.090   0.6550 -2.330000 1.310000 
1 1 1    6    2   33 o   18.860   0.7147 -2.416000 1.429000 
1 1 1    6    2   34 o   5.7460   1.5500 -0.6013000 3.101000 
1 1 1    6    2   35 o   6.6120   1.5950 -1.496000 3.191000 
1 1 1    6    3    0 o  118.600   1.2380 -0.000000 0.000000 
1 1 1    6    3    1 o   19.630   0.2683 4.510000 0.5365000 
1 1 1    6    3    2 o   87.880   0.6515 -6.535000 1.303000 
1 1 1    6    3    3 o  125.300   1.0030 6.756000 2.006000 
1 1 1    6    3    4 f   67.660   0.5845 3.277000 1.169000 
1 1 1    6    3    5 o   94.760   0.8108 5.882000 1.622000 
1 1 1    6    3    6 o   50.700   0.4490 -4.119000 0.8980000 
1 1 1    6    3    7 o   84.100   0.7217 -4.955000 1.443000 
1 1 1    6    3    8 o   71.790   0.6197 1.736000 1.239000 
1 1 1    6    3    9 o  162.000   1.3800 2.635000 2.760000 
1 1 1    6    3   10 o   10.380   0.6186 -3.384000 1.237000 
1 1 1    6    3   11 o   65.150   0.5664 -5.671000 1.133000 
1 1 1    6    3   12 o   68.210   0.5919 -0.2605000 1.184000 
1 1 1    6    3   13 o   74.900   0.6463 4.274000 1.293000 
1 1 1    6    3   14 o   51.620   0.5191 -5.974000 1.038000 
1 1 1    6    3   15 o   46.820   0.4788 -5.414000 0.9576000 
1 1 1    6    3   16 o   35.210   0.3944 -0.4785000 0.7888000 
1 1 1    6    3   17 o   47.040   0.4770 3.538000 0.9539000 
1 1 1    6    3   18 o   41.320   0.4416 -0.5293000 0.8831000 
1 1 1    6    3   19 o   9.4650   0.8799 -3.168000 1.760000 
1 1 1    6    3   20 o   31.010   0.4069 2.837000 0.8138000 
1 1 1    6    3   21 o   66.370   0.6549 -1.249000 1.310000 
1 1 1    6    3   22 o   43.830   0.6020      ?      ? 
1 1 1    6    3   23 o   34.770   0.4950 -1.110000 0.9900000 
1 1 1    6    3   24 o   49.070   0.5272 -0.5664000 1.054000 
1 1 1    6    3   25 o   23.050   0.5527 2.445000 1.105000 
1 1 1    6    3   26 o   11.280   1.1130 0.7021000 2.226000 
1 1 1    6    3   27 o   43.180   0.5734 -1.528000 1.147000 
1 1 1    6    3   28 o   22.060   0.8340 0.3369000 1.668000 
1 1 1    6    3   29 o   31.110   0.7108 -2.115000 1.422000 
1 1 1    6    3   30 o   14.780   1.2650 -0.6803000 2.530000 
1 1 1    6    3   31 o   7.4540   1.8770 0.9708000 3.754000 
1 1 1    6    3   32 o   16.000   1.2070 -4.909000 2.415000 
1 1 1    6    3   33 o   14.130   1.3390 0.1785000 2.677000 
1 1 1    6    3   34 o   6.9930   2.4920      ?      ? 
1 1 1    6    3   35 o   14.120   0.9371 1.180000 1.874000 
1 1 1    6    4    0 o   53.460   0.5810 -0.000000 0.000000 
1 1 1    6    4    1 o   50.320   0.3913 5.450000 0.7825000 
1 1 1    6    4    2 o   40.840   0.3353 8.728000 0.6706000 
1 1 1    6    4    3 o   99.510   0.7375 -3.211000 1.475000 
1 1 1    6    4    4 o   60.090   0.4563 -0.4764000 0.9125000 
1 1 1    6    4    5 o   61.270   0.4670 -9.178000 0.9341000 
1 1 1    6    4    6 o   61.150   0.5003 -4.420000 1.001000 
1 1 1    6    4    7 o   96.320   0.7730 0.9050000 1.546000 
1 1 1    6    4    8 o   36.550   0.3442 -2.454000 0.6884000 
1 1 1    6    4    9 o   42.090   0.3765 4.519000 0.7531000 
1 1 1    6    4   10 o   16.150   0.4490 -3.177000 0.8980000 
1 1 1    6    4   11 o   19.590   0.4462 1.804000 0.8925000 
1 1 1    6    4   12 o   16.830   0.4315 -0.4079000 0.8630000 
1 1 1    6    4   13 o   23.950   0.3563 -2.357000 0.7125000 
1 1 1    6    4   14 o   32.410   0.4018 -1.502000 0.8036000 
1 1 1    6    4   15 o   48.990   0.4462 1.520000 0.8924000 
1 1 1    6    4   16 o   13.610   0.5768 2.126000 1.154000 
1 1 1    6    4   17 o   18.460   0.4576 -0.6413000 0.9152000 
1 1 1    6    4   18 o   15.650   0.6424 0.8429000 1.285000 
1 1 1    6    4   19 o   23.770   0.5569      ?      ? 
1 1 1    6    4   20 o   14.570   0.6422 1.433000 1.284000 
1 1 1    6    4   21 o   31.310   0.4428 -1.722000 0.8857000 
1 1 1    6    4   22 f   41.040   0.4768 -2.825000 0.9536000 
1 1 1    6    4   23 o   17.120   0.6856 -4.571000 1.371000 
1 1 1    6    4   24 o   28.180   0.5334 -1.628000 1.067000 
1 1 1    6    4   25 o   17.990   0.6729 -1.227000 1.346000 
1 1 1    6    4   26 o   7.6030   1.4710 -4.478000 2.942000 
1 1 1    6    4   27 o   6.3840   1.6260 -1.867000 3.252000 
1 1 1    6    4   28 o   24.550   0.7329 4.193000 1.466000 
1 1 1    6    4   29 o   15.100   1.0150 -1.060000 2.029000 
1 1 1    6    4   30 o   21.070   0.7638 -0.9362000 1.528000 
1 1 1    6    4   31 o   10.590   1.5480 0.1956000 3.096000 
1 1 1    6    4   32 o   17.940   0.9859 0.7780000E-01 1.972000 
1 1 1    6    4   33 o   20.420   0.9917 0.7401000 1.983000 
1 1 1    6    4   34 o   12.520   1.5750 1.982000 3.150000 
1 1 1    6    4   35 f   5.7620   1.7620 -0.1096000 3.523000 
1 1 1    6    5    0 o   93.680   0.9854 -0.000000 0.000000 
1 1 1    6    5    1 o   34.810   0.3186 -0.3397000E-01 0.6372000 
1 1 1    6    5    2 o  138.800   1.0250 1.526000 2.050000 
1 1 1    6    5    3 o  108.100   0.8014 -0.1863000 1.603000 
1 1 1    6    5    4 o   30.700   0.3221 -9.397000 0.6441000 
1 1 1    6    5    5 o   50.600   0.4022 -7.427000 0.8044000 
1 1 1    6    5    6 o  126.200   0.9330 -3.237000 1.866000 
1 1 1    6    5    7 o   27.490   0.3200 -2.285000 0.6401000 
1 1 1    6    5    8 o   43.590   0.3937 -2.153000 0.7874000 
1 1 1    6    5    9 o   88.160   0.7085 -6.075000 1.417000 
1 1 1    6    5   10 o   82.850   0.6747 6.768000 1.349000 
1 1 1    6    5   11 o  119.800   0.9582 -0.7151000 1.916000 
1 1 1    6    5   12 o   55.050   0.4643 -4.186000 0.9285000 
1 1 1    6    5   13 o   85.200   0.6900 2.939000 1.380000 
1 1 1    6    5   14 o   48.530   0.4236 -0.4135000 0.8473000 
1 1 1    6    5   15 o   14.470   0.5360 4.466000 1.072000 
1 1 1    6    5   16 o   7.8090   0.9973 1.427000 1.995000 
1 1 1    6    5   17 o   10.670   0.7403 3.446000 1.481000 
1 1 1    6    5   18 o   46.940   0.4486 -1.853000 0.8972000 
1 1 1    6    5   19 o   22.930   0.4958 -4.911000 0.9917000 
1 1 1    6    5   20 o   42.750   0.4900 -4.197000 0.9800000 
1 1 1    6    5   21 o   65.940   0.6564 2.537000 1.313000 
1 1 1    6    5   22 o   17.570   0.6542 -0.4278000 1.308000 
1 1 1    6    5   23 o   34.600   0.5248 -1.803000 1.050000 
1 1 1    6    5   24 o   29.260   0.5196 3.401000 1.039000 
1 1 1    6    5   25 o   9.3810   1.4770 3.064000 2.955000 
1 1 1    6    5   26 o   32.460   0.5751 0.1031000 1.150000 
1 1 1    6    5   27 o   11.510   1.5980      ?      ? 
1 1 1    6    5   28 o   18.690   0.8583 3.184000 1.717000 
1 1 1    6    5   29 o   15.080   1.0490 -2.805000 2.098000 
1 1 1    6    5   30 o   28.780   0.5725 -0.6017000 1.145000 
1 1 1    6    5   31 o   6.5640   1.6930 0.4265000 3.386000 
1 1 1    6    5   32 f   7.1140   1.7200 -1.082000 3.439000 
1 1 1    6    5   33 o   9.6690   1.4990 -2.876000 2.998000 
1 1 1    6    5   34 o   9.8630   1.4630 -3.438000 2.927000 
1 1 1    6    5   35 o   5.0280   1.5140 0.5710000 3.028000 
1 1 1    6    6    0 o   73.280   0.7853 -0.000000 0.000000 
1 1 1    6    6    1 o  147.800   1.0920 -1.794000 2.185000 
1 1 1    6    6    2 o   64.750   0.4975 -2.183000 0.9951000 
1 1 1    6    6    3 o  118.400   0.8777 -0.3803000 1.755000 
1 1 1    6    6    4 o   69.010   0.5261 0.3744000 1.052000 
1 1 1    6    6    5 o   35.500   0.3462 -7.435000 0.6924000 
1 1 1    6    6    6 o   43.240   0.3734 2.846000 0.7468000 
1 1 1    6    6    7 o   77.720   0.5875 8.873000 1.175000 
1 1 1    6    6    8 o   22.190   0.3836 0.9488000 0.7673000 
1 1 1    6    6    9 o   90.850   0.6795 2.040000 1.359000 
1 1 1    6    6   10 o   28.350   0.3485 2.776000 0.6970000 
1 1 1    6    6   11 o   21.090   0.4316 -1.736000 0.8632000 
1 1 1    6    6   12 o   20.860   0.4290 1.594000 0.8580000 
1 1 1    6    6   13 o   15.480   0.5587 4.031000 1.117000 
1 1 1    6    6   14 o   35.420   0.4011 -0.1539000 0.8022000 
1 1 1    6    6   15 o   45.630   0.4204 5.168000 0.8408000 
1 1 1    6    6   16 o   14.930   0.6885 -4.008000 1.377000 
1 1 1    6    6   17 o   18.780   0.5032 -2.394000 1.006000 
1 1 1    6    6   18 o   25.380   0.4249 3.417000 0.8497000 
1 1 1    6    6   19 o   23.580   0.5088 3.084000 1.018000 
1 1 1    6    6   20 o   37.470   0.4913 1.375000 0.9826000 
1 1 1    6    6   21 o   13.840   0.7827 2.840000 1.565000 
1 1 1    6    6   22 o   15.450   0.7305 1.438000 1.461000 
1 1 1    6    6   23 o   30.930   0.4713 2.054000 0.9425000 
1 1 1    6    6   24 o   48.590   0.5543 -0.6683000 1.109000 
1 1 1    6    6   25 o   18.540   0.7712 -0.3941000E-01 1.542000 
1 1 1    6    6   26 o   30.120   0.5224 2.030000 1.045000 
1 1 1    6    6   27 o   30.720   0.5421 2.017000 1.084000 
1 1 1    6    6   28 f   38.950   0.5160 -3.014000 1.032000 
1 1 1    6    6   29 o   32.890   0.5430 -1.021000 1.086000 
1 1 1    6    6   30 o   20.730   0.7580 -0.6738000 1.516000 
1 1 1    6    6   31 o   8.1860   1.5270 5.184000 3.054000 
1 1 1    6    6   32 o   20.050   0.7828 0.5549000 1.566000 
1 1 1    6    6   33 o   19.600   0.7903 -3.288000 1.581000 
1 1 1    6    6   34 o   9.0250   1.5870 -2.277000 3.175000 
1 1 1    6    7    0 o   40.000   0.5266 -0.000000 0.000000 
1 1 1    6    7    1 o  136.300   1.0080 0.1704000E-01 2.017000 
1 1 1    6    7    2 o   54.270   0.4369 5.119000 0.8738000 
1 1 1    6    7    3 o   72.950   0.5571 -5.123000 1.114000 
1 1 1    6    7    4 o   32.710   0.3597 -6.722000 0.7195000 
1 1 1    6    7    5 o   85.240   0.6419 2.721000 1.284000 
1 1 1    6    7    6 o   50.990   0.4198 1.308000 0.8396000 
1 1 1    6    7    7 o   86.300   0.6495 -0.6700000 1.299000 
1 1 1    6    7    8 o   28.690   0.3715 1.220000 0.7431000 
1 1 1    6    7    9 o   4.4860   1.2450 -0.3281000 2.490000 
1 1 1    6    7   10 o   19.450   0.4626 -0.8976000 0.9252000 
1 1 1    6    7   11 o   44.320   0.3899 1.664000 0.7799000 
1 1 1    6    7   12 o   26.560   0.3901 1.327000 0.7801000 
1 1 1    6    7   13 o   59.900   0.5135 1.289000 1.027000 
1 1 1    6    7   14 o   10.480   1.0470 1.489000 2.094000 
1 1 1    6    7   15 o   19.870   0.4939 2.403000 0.9879000 
1 1 1    6    7   16 o   16.190   0.6707 5.433000 1.341000 
1 1 1    6    7   17 o   18.960   0.5511 4.637000 1.102000 
1 1 1    6    7   18 o   49.450   0.4576 1.989000 0.9152000 
1 1 1    6    7   19 o   33.210   0.4278 2.953000 0.8556000 
1 1 1    6    7   20 o   52.290   0.6271      ?      ? 
1 1 1    6    7   21 o   22.220   0.6105 3.037000 1.221000 
1 1 1    6    7   22 o   33.140   0.4806 2.032000 0.9611000 
1 1 1    6    7   23 o   20.630   0.6539 -0.7997000 1.308000 
1 1 1    6    7   24 o   22.330   0.7286 -1.754000 1.457000 
1 1 1    6    7   25 o   20.920   0.6712 -1.998000 1.342000 
1 1 1    6    7   26 o   10.330   1.4310 5.340000 2.861000 
1 1 1    6    7   27 o   16.670   0.9152 1.524000 1.830000 
1 1 1    6    7   28 f   10.360   1.5090 -1.085000 3.017000 
1 1 1    6    7   29 o   28.800   0.6060 1.270000 1.212000 
1 1 1    6    7   30 o   7.3110   1.7700 -1.415000 3.539000 
1 1 1    6    7   31 o   14.600   1.1130 1.057000 2.226000 
1 1 1    6    7   32 o   30.900   0.6470 0.9014000 1.294000 
1 1 1    6    7   33 o   6.6820   1.6720 -2.663000 3.344000 
1 1 1    6    7   34 o   17.780   0.8515 -3.053000 1.703000 
1 1 1    6    8    0 o   34.170   0.5311 -0.000000 0.000000 
1 1 1    6    8    1 o   99.580   0.7449 -1.899000 1.490000 
1 1 1    6    8    2 o   51.720   0.4292 -0.4831000 0.8584000 
1 1 1    6    8    3 o   35.190   0.4053 2.093000 0.8105000 
1 1 1    6    8    4 o   26.280   0.4056 0.6772000 0.8112000 
1 1 1    6    8    5 o   39.140   0.3814 0.1028000 0.7628000 
1 1 1    6    8    6 o   98.000   0.7342 1.377000 1.468000 
1 1 1    6    8    7 o   25.480   0.4114 -1.644000 0.8228000 
1 1 1    6    8    8 o   13.230   0.6952 0.2528000 1.390000 
1 1 1    6    8    9 o   45.680   0.4047 -1.648000 0.8094000 
1 1 1    6    8   10 o   47.030   0.4441 3.014000 0.8882000 
1 1 1    6    8   11 o   20.300   0.5005 2.722000 1.001000 
1 1 1    6    8   12 o   15.730   0.6253 -0.2399000 1.251000 
1 1 1    6    8   13 f   43.220   0.4370 1.372000 0.8741000 
1 1 1    6    8   14 o   36.320   0.3935 1.137000 0.7871000 
1 1 1    6    8   15 o   12.160   0.8825 0.1250000E-01 1.765000 
1 1 1    6    8   16 o   22.950   0.5081 1.840000 1.016000 
1 1 1    6    8   17 o   38.570   0.4353 -0.4856000 0.8705000 
1 1 1    6    8   18 o   11.390   1.0200 0.2484000 2.041000 
1 1 1    6    8   19 o   38.720   0.4522 -0.6010000 0.9044000 
1 1 1    6    8   20 o   6.1140   1.5020 2.792000 3.004000 
1 1 1    6    8   21 o   26.620   0.5269 2.130000 1.054000 
1 1 1    6    8   22 o   48.430   0.4872 -0.9506000E-02 0.9744000 
1 1 1    6    8   23 o   28.620   0.6408 0.4673000 1.282000 
1 1 1    6    8   24 o   12.380   1.2380 -0.6795000 2.477000 
1 1 1    6    8   25 o   8.9340   1.5690 5.133000 3.137000 
1 1 1    6    8   26 o   22.620   0.7587 -1.164000 1.517000 
1 1 1    6    8   27 o   30.700   0.6240 1.062000 1.248000 
1 1 1    6    8   28 o   7.8730   1.6700 4.201000 3.341000 
1 1 1    6    8   29 o   18.040   0.9722 2.020000 1.944000 
1 1 1    6    8   30 o   20.940   0.8423 1.510000 1.685000 
1 1 1    6    8   31 o   10.080   1.6640 -3.692000 3.327000 
1 1 1    6    8   32 o   8.9160   1.7280 -2.103000 3.456000 
1 1 1    6    8   33 o   12.640   1.3130 -3.830000 2.627000 
1 1 1    6    8   34 o   6.2030   1.6940 0.4044000 3.389000 
1 1 1    6    9    0 o   15.100   0.9294 -0.000000 0.000000 
1 1 1    6    9    1 o   25.050   0.4519 7.425000 0.9038000 
1 1 1    6    9    2 o   51.050   0.5073 2.173000 1.015000 
1 1 1    6    9    3 o   52.220   0.4434 -2.568000 0.8868000 
1 1 1    6    9    4 o   31.350   0.4139 -4.340000 0.8278000 
1 1 1    6    9    5 o   71.710   0.5570 -3.917000 1.114000 
1 1 1    6    9    6 o   47.030   0.4221 -1.700000 0.8441000 
1 1 1    6    9    7 o   59.090   0.5209 -4.029000 1.042000 
1 1 1    6    9    8 o   41.980   0.4065 -3.111000 0.8131000 
1 1 1    6    9    9 o   22.420   0.4845 -3.973000 0.9690000 
1 1 1    6    9   10 o   63.790   0.5073 2.086000 1.015000 
1 1 1    6    9   11 o   13.180   0.7818 0.3711000 1.564000 
1 1 1    6    9   12 o   27.590   0.4432 -0.1751000 0.8864000 
1 1 1    6    9   13 o   32.160   0.4217 0.1253000 0.8435000 
1 1 1    6    9   14 o   23.280   0.6032 0.2991000 1.206000 
1 1 1    6    9   15 o   24.990   0.4853 4.133000 0.9706000 
1 1 1    6    9   16 o   28.000   0.4953 -0.8415000 0.9905000 
1 1 1    6    9   17 o   4.4560   1.4340 1.820000 2.868000 
1 1 1    6    9   18 o   20.010   0.6885 0.8438000 1.377000 
1 1 1    6    9   19 o   55.190   0.5156 0.7735000 1.031000 
1 1 1    6    9   20 o   10.090   1.3920 -1.924000 2.783000 
1 1 1    6    9   21 f   9.4780   1.5870 -3.352000 3.174000 
1 1 1    6    9   22 o   12.320   1.4530 -10.19000 2.907000 
1 1 1    6    9   23 o   10.740   1.4220 -0.7206000 2.844000 
1 1 1    6    9   24 o   24.260   0.6693 0.3191000 1.339000 
1 1 1    6    9   25 o   34.030   0.5972 -3.030000 1.194000 
1 1 1    6    9   26 o   34.530   0.6130 -2.028000 1.226000 
1 1 1    6    9   27 o   21.550   0.8622 0.5753000 1.724000 
1 1 1    6    9   28 o   11.420   1.6570 2.947000 3.314000 
1 1 1    6    9   29 o   12.430   1.5570 -3.535000 3.114000 
1 1 1    6    9   30 o   12.860   1.4720 0.5865000 2.944000 
1 1 1    6    9   31 o   9.3350   1.8390 -1.075000 3.679000 
1 1 1    6    9   32 o   16.110   1.0900 -1.260000 2.180000 
1 1 1    6    9   33 o   5.3370   1.6350 -0.3675000 3.269000 
1 1 1    6   10    0 o   41.400   0.5878 -0.000000 0.000000 
1 1 1    6   10    1 o   25.010   0.5007 7.015000 1.001000 
1 1 1    6   10    2 o   37.120   0.4222 5.820000 0.8444000 
1 1 1    6   10    3 o   19.070   0.6076 3.267000 1.215000 
1 1 1    6   10    4 o   20.410   0.5649 0.2136000E-01 1.130000 
1 1 1    6   10    5 o   12.590   0.9075 -2.054000 1.815000 
1 1 1    6   10    6 o   51.030   0.4491 1.958000 0.8982000 
1 1 1    6   10    7 o   23.660   0.5090 0.1988000 1.018000 
1 1 1    6   10    8 o   33.770   0.4274 -1.393000 0.8548000 
1 1 1    6   10    9 o   43.870   0.4603 2.100000 0.9206000 
1 1 1    6   10   10 o   24.400   0.4960 2.143000 0.9919000 
1 1 1    6   10   11 o   30.650   0.4403 -1.503000 0.8807000 
1 1 1    6   10   12 o   13.140   0.9677 6.375000 1.935000 
1 1 1    6   10   13 o   35.060   0.4282 -1.518000 0.8565000 
1 1 1    6   10   14 o   45.270   0.4329 -0.2345000 0.8658000 
1 1 1    6   10   15 o   29.650   0.4641 -1.777000 0.9282000 
1 1 1    6   10   16 o   39.920   0.4370 -1.140000 0.8739000 
1 1 1    6   10   17 o   29.180   0.4926 -2.579000 0.9852000 
1 1 1    6   10   18 o   24.640   0.6539 3.144000 1.308000 
1 1 1    6   10   19 o   35.090   0.5470 -1.072000 1.094000 
1 1 1    6   10   20 f   7.5690   1.7750 -1.372000 3.550000 
1 1 1    6   10   21 o   27.330   0.6548 -3.713000 1.310000 
1 1 1    6   10   22 o   38.180   0.5386 -0.2929000 1.077000 
1 1 1    6   10   23 o   27.740   0.6475 2.521000 1.295000 
1 1 1    6   10   24 o   34.650   0.5814 -0.7808000 1.163000 
1 1 1    6   10   25 o   33.810   0.6062 -1.024000 1.212000 
1 1 1    6   10   26 o   19.440   1.0250 1.684000 2.051000 
1 1 1    6   10   27 o   14.060   1.4350 0.6767000 2.870000 
1 1 1    6   10   28 o   9.8970   2.0430 -1.426000 4.086000 
1 1 1    6   10   29 f   12.950   1.5890 -1.240000 3.177000 
1 1 1    6   10   30 o   7.3010   1.8990 -2.567000 3.797000 
1 1 1    6   10   31 o   16.690   1.1730 1.076000 2.346000 
1 1 1    6   10   32 o   9.3300   1.8230 2.476000 3.645000 
1 1 1    6   10   33 f   10.540   2.9780      ?      ? 
1 1 1    6   11    0 f   23.300   0.7628 -0.000000 0.000000 
1 1 1    6   11    1 o   47.780   0.4478 2.503000 0.8957000 
1 1 1    6   11    2 o   29.240   0.4755 -2.654000 0.9509000 
1 1 1    6   11    3 o   53.460   0.4701 4.804000 0.9402000 
1 1 1    6   11    4 o   22.360   0.5684 2.012000 1.137000 
1 1 1    6   11    5 o   18.770   0.6593 0.6748000 1.319000 
1 1 1    6   11    6 o   24.790   0.5364 -4.691000 1.073000 
1 1 1    6   11    7 o   26.890   0.5086 1.184000 1.017000 
1 1 1    6   11    8 o   17.520   0.7044 -0.6968000 1.409000 
1 1 1    6   11    9 o   14.070   0.9650 -2.739000 1.930000 
1 1 1    6   11   10 o   41.390   0.4382 2.429000 0.8763000 
1 1 1    6   11   11 o   57.270   0.4889 -2.352000 0.9778000 
1 1 1    6   11   12 o   57.440   0.4883 2.243000 0.9767000 
1 1 1    6   11   13 o   53.900   0.4732 4.103000 0.9465000 
1 1 1    6   11   14 o   17.740   0.7785 0.5094000 1.557000 
1 1 1    6   11   15 o   19.500   0.7230 -0.7517000E-02 1.446000 
1 1 1    6   11   16 o   20.610   0.7140 -4.282000 1.428000 
1 1 1    6   11   17 o   39.610   0.4711 -0.8700000 0.9421000 
1 1 1    6   11   18 o   18.750   0.8408 0.4938000 1.682000 
1 1 1    6   11   19 o   32.890   0.5290 0.8174000 1.058000 
1 1 1    6   11   20 o   13.140   1.4380 4.171000 2.876000 
1 1 1    6   11   21 o   24.180   0.7359 0.3524000 1.472000 
1 1 1    6   11   22 o   27.990   0.6772 -2.159000 1.354000 
1 1 1    6   11   23 o   32.580   0.6221 2.319000 1.244000 
1 1 1    6   11   24 o   24.270   0.8603 4.058000 1.721000 
1 1 1    6   11   25 o   17.560   1.1090 0.6667000 2.219000 
1 1 1    6   11   26 o   24.790   0.8181 0.2200000 1.636000 
1 1 1    6   11   27 o   8.6540   2.0200 1.247000 4.041000 
1 1 1    6   11   28 o   10.600   1.8840 2.737000 3.769000 
1 1 1    6   11   29 o   10.020   1.7640 6.676000 3.528000 
1 1 1    6   11   30 o   8.8350   1.8160 -5.211000 3.633000 
1 1 1    6   11   31 o   13.310   1.5080 -0.7721000 3.017000 
1 1 1    6   11   32 o   10.210   1.8250 0.1067000 3.649000 
1 1 1    6   12    0 o   18.040   0.9971 -0.000000 0.000000 
1 1 1    6   12    1 o   15.990   0.8477 -5.106000 1.695000 
1 1 1    6   12    2 o   10.220   1.3050 -0.3642000 2.610000 
1 1 1    6   12    3 o   21.300   0.6285 -1.898000 1.257000 
1 1 1    6   12    4 o   46.390   0.4570 5.596000 0.9139000 
1 1 1    6   12    5 o   34.580   0.4690 -0.9602000 0.9380000 
1 1 1    6   12    6 o   14.610   0.9164 -0.7441000 1.833000 
1 1 1    6   12    7 o   43.870   0.4589 1.641000 0.9177000 
1 1 1    6   12    8 o   15.980   0.8511 -3.049000 1.702000 
1 1 1    6   12    9 o   32.790   0.4857 0.6349000 0.9714000 
1 1 1    6   12   10 f   35.220   0.4766 -1.073000 0.9532000 
1 1 1    6   12   11 o   9.4110   1.4580 0.4953000 2.916000 
1 1 1    6   12   12 o   18.300   0.8547 -2.766000 1.709000 
1 1 1    6   12   13 o   44.190   0.4641 -4.063000 0.9283000 
1 1 1    6   12   14 o   45.650   0.4686 -0.1201000 0.9373000 
1 1 1    6   12   15 o   14.290   1.0100 -0.6852000 2.020000 
1 1 1    6   12   16 o   32.120   0.5320 0.7856000 1.064000 
1 1 1    6   12   17 o   35.460   0.5201 -1.213000 1.040000 
1 1 1    6   12   18 o   27.160   0.6205 -0.2426000 1.241000 
1 1 1    6   12   19 o   16.840   0.9677 0.1468000 1.935000 
1 1 1    6   12   20 o   10.270   1.5520 -6.449000 3.104000 
1 1 1    6   12   21 o   8.6410   1.8380 3.775000 3.676000 
1 1 1    6   12   22 o   18.440   1.0600 -0.2670000 2.119000 
1 1 1    6   12   23 o   13.620   1.4880 2.801000 2.976000 
1 1 1    6   12   24 o   19.110   1.2600 -1.330000 2.521000 
1 1 1    6   12   25 o   5.9670   1.8240 -0.5943000 3.647000 
1 1 1    6   12   26 o   13.190   1.6250 4.308000 3.250000 
1 1 1    6   12   27 o   6.8310   1.9390 1.760000 3.878000 
1 1 1    6   12   28 o   6.0890   1.8740 -0.2584000 3.749000 
1 1 1    6   12   29 f   6.1380   1.8650 -0.4734000 3.731000 
1 1 1    6   12   30 f   11.380   1.8300 -1.912000 3.660000 
1 1 1    6   12   31 o   5.5000   1.7300 -0.9695000 3.461000 
1 1 1    6   13    0 o   52.030   0.6868 -0.000000 0.000000 
1 1 1    6   13    1 o   39.070   0.4789 -0.7945000 0.9578000 
1 1 1    6   13    2 o   26.810   0.5666 5.017000 1.133000 
1 1 1    6   13    3 o   28.580   0.5406 1.346000 1.081000 
1 1 1    6   13    4 o   54.720   0.4951 1.504000 0.9902000 
1 1 1    6   13    5 o   21.780   0.7261 1.925000 1.452000 
1 1 1    6   13    6 o   21.060   0.7561 1.265000 1.512000 
1 1 1    6   13    7 o   28.050   0.5672 -2.900000 1.134000 
1 1 1    6   13    8 o   38.520   0.4995 -1.884000 0.9989000 
1 1 1    6   13    9 o   22.300   0.7376 0.9275000 1.475000 
1 1 1    6   13   10 o   47.040   0.4837 0.6892000 0.9674000 
1 1 1    6   13   11 o   29.130   0.6018 -4.489000 1.204000 
1 1 1    6   13   12 f   13.660   1.1500 -5.070000 2.300000 
1 1 1    6   13   13 o   19.990   0.8342 -0.7198000E-01 1.668000 
1 1 1    6   13   14 o   8.4910   1.5670 4.077000 3.135000 
1 1 1    6   13   15 o   58.580   0.5260 -0.2518000 1.052000 
1 1 1    6   13   16 o   41.290   0.5135 0.5039000 1.027000 
1 1 1    6   13   17 o   38.180   0.5356 0.4741000 1.071000 
1 1 1    6   13   18 o   18.670   0.9930 -0.1609000 1.986000 
1 1 1    6   13   19 o   28.240   0.6482 -2.663000 1.296000 
1 1 1    6   13   20 o   17.860   1.1840 -1.202000 2.367000 
1 1 1    6   13   21 o   17.740   1.1110 5.002000 2.223000 
1 1 1    6   13   22 o   17.260   1.2180 -2.374000 2.437000 
1 1 1    6   13   23 o   8.0290   2.0580 5.535000 4.117000 
1 1 1    6   13   24 o   8.9170   2.0390 1.863000 4.079000 
1 1 1    6   13   25 o  10.0000   2.0070 -1.611000 4.014000 
1 1 1    6   13   26 o   6.0180   1.8610 1.442000 3.722000 
1 1 1    6   13   27 f   6.6320   1.9230 1.531000 3.846000 
1 1 1    6   13   28 o   14.720   1.4440 -1.865000 2.888000 
1 1 1    6   13   29 o   15.000   1.3320 0.7837000 2.664000 
1 1 1    6   13   30 o   7.3050   1.8700 3.722000 3.740000 
1 1 1    6   14    0 o   25.580   0.9106 -0.000000 0.000000 
1 1 1    6   14    1 o   37.560   0.5097 0.6672000 1.019000 
1 1 1    6   14    2 o   29.270   0.5825 0.1902000 1.165000 
1 1 1    6   14    3 o   13.650   1.1270 -0.4634000 2.254000 
1 1 1    6   14    4 o   31.440   0.5619 -3.413000 1.124000 
1 1 1    6   14    5 o   14.790   1.0440 0.9955000 2.088000 
1 1 1    6   14    6 o   12.930   1.2350 1.057000 2.469000 
1 1 1    6   14    7 o   16.970   1.1190 -0.8043000 2.237000 
1 1 1    6   14    8 o   9.4510   1.8010 2.748000 3.601000 
1 1 1    6   14    9 o   17.230   1.0180 -1.587000 2.037000 
1 1 1    6   14   10 o   6.9220   1.8010 -2.282000 3.602000 
1 1 1    6   14   11 o   14.800   1.1330 4.127000 2.267000 
1 1 1    6   14   12 o   9.1160   1.7160 1.270000 3.431000 
1 1 1    6   14   13 f   21.640   0.7814 0.3897000 1.563000 
1 1 1    6   14   14 o   26.110   0.6659 -1.429000 1.332000 
1 1 1    6   14   15 o   37.180   0.5462 1.621000 1.092000 
1 1 1    6   14   16 o   24.590   0.7372 2.015000 1.474000 
1 1 1    6   14   17 o   4.5380   1.5080 0.7211000 3.015000 
1 1 1    6   14   18 o   45.380   0.5408 0.4104000 1.082000 
1 1 1    6   14   19 o   15.750   1.3990 0.9512000 2.798000 
1 1 1    6   14   20 o   19.320   1.0190 -2.487000 2.037000 
1 1 1    6   14   21 o   11.080   1.8120 1.022000 3.623000 
1 1 1    6   14   22 o   18.330   1.1430 1.471000 2.287000 
1 1 1    6   14   23 o   15.670   1.3480 -0.7342000 2.695000 
1 1 1    6   14   24 o   12.650   1.7920 3.318000 3.585000 
1 1 1    6   14   25 o   14.390   1.5880 1.156000 3.176000 
1 1 1    6   14   26 o   12.700   1.7540 0.7980000 3.508000 
1 1 1    6   14   27 f   6.1360   1.8720 0.1260000 3.744000 
1 1 1    6   14   28 o   9.7900   1.9870 -0.5627000 3.975000 
1 1 1    6   14   29 o   7.6920   1.9680 1.314000 3.936000 
1 1 1    6   15    0 f   41.620   0.7494 -0.000000 0.000000 
1 1 1    6   15    1 o   75.240   0.6185 -0.1527000 1.237000 
1 1 1    6   15    2 o   53.680   0.5280 -0.6929000 1.056000 
1 1 1    6   15    3 o   29.080   0.6272 1.672000 1.254000 
1 1 1    6   15    4 o   41.800   0.5255 -1.090000 1.051000 
1 1 1    6   15    5 o   16.360   1.3220 6.775000 2.644000 
1 1 1    6   15    6 o   52.190   0.5266 1.054000 1.053000 
1 1 1    6   15    7 o   28.860   0.6539 3.913000 1.308000 
1 1 1    6   15    8 o   16.020   1.2800 3.889000 2.559000 
1 1 1    6   15    9 o   22.980   0.7882 -0.8372000 1.576000 
1 1 1    6   15   10 o   26.500   0.6942 -0.1290000 1.388000 
1 1 1    6   15   11 o   18.990   1.0150 -2.571000 2.030000 
1 1 1    6   15   12 o   22.900   0.7816 0.2341000 1.563000 
1 1 1    6   15   13 f   24.560   0.8925 -5.948000 1.785000 
1 1 1    6   15   14 o   6.5970   1.8230 -1.344000 3.646000 
1 1 1    6   15   15 o   16.100   1.1720 2.981000 2.344000 
1 1 1    6   15   16 o   18.990   1.0080 -1.746000 2.017000 
1 1 1    6   15   17 o   20.730   0.9454 1.845000 1.891000 
1 1 1    6   15   18 o   12.950   1.6070 7.037000 3.214000 
1 1 1    6   15   19 o   24.860   0.8369 2.220000 1.674000 
1 1 1    6   15   20 o   22.420   0.9417 0.2355000 1.883000 
1 1 1    6   15   21 o   19.910   1.0820 -3.200000 2.164000 
1 1 1    6   15   22 o   9.3940   2.0190 1.472000 4.039000 
1 1 1    6   15   23 o   8.7650   1.9490 3.823000 3.898000 
1 1 1    6   15   24 o   11.300   1.8580 2.701000 3.717000 
1 1 1    6   15   25 o   15.820   1.4440 0.9583000 2.888000 
1 1 1    6   15   26 o   10.480   1.9940 -2.419000 3.988000 
1 1 1    6   15   27 o   10.550   1.9840 -0.3881000 3.969000 
1 1 1    6   15   28 o   6.5260   1.9030 1.824000 3.806000 
1 1 1    6   16    0 o   11.570   2.2440 -0.000000 0.000000 
1 1 1    6   16    1 o   15.570   1.1530 0.4050000 2.306000 
1 1 1    6   16    2 o   17.660   1.2370 -2.596000 2.475000 
1 1 1    6   16    3 o   35.080   0.5954 0.6125000 1.191000 
1 1 1    6   16    4 o   41.090   0.5578 2.066000 1.116000 
1 1 1    6   16    5 o   33.920   0.6098 1.860000 1.220000 
1 1 1    6   16    6 o   16.380   1.1330 -1.301000 2.266000 
1 1 1    6   16    7 o   34.270   0.6042 0.8609000 1.208000 
1 1 1    6   16    8 o   17.920   1.2310 -5.170000 2.461000 
1 1 1    6   16    9 o   30.200   0.6684 2.160000 1.337000 
1 1 1    6   16   10 o   22.810   0.8518 2.624000 1.704000 
1 1 1    6   16   11 o   38.100   0.5900 1.174000 1.180000 
1 1 1    6   16   12 o   22.210   0.9768 1.911000 1.954000 
1 1 1    6   16   13 o   19.510   1.0180 -2.089000 2.035000 
1 1 1    6   16   14 o   13.640   1.4700 3.215000 2.939000 
1 1 1    6   16   15 o   16.380   1.2110 0.6674000E-01 2.422000 
1 1 1    6   16   16 o   9.0980   1.8670 -4.858000 3.734000 
1 1 1    6   16   17 o   8.7720   1.9830 -2.841000 3.966000 
1 1 1    6   16   18 o   15.190   1.4480 -1.804000 2.895000 
1 1 1    6   16   19 o   13.830   1.6410 0.9295000 3.282000 
1 1 1    6   16   20 o   7.7360   2.0050 1.958000 4.010000 
1 1 1    6   16   21 o   18.050   1.2180 1.358000 2.436000 
1 1 1    6   16   22 o   17.180   1.2810 0.7981000E-01 2.562000 
1 1 1    6   16   23 o   12.020   1.8110 1.541000 3.622000 
1 1 1    6   16   24 o   10.480   1.8000 -6.589000 3.601000 
1 1 1    6   16   25 o   8.7770   1.9000 4.817000 3.800000 
1 1 1    6   16   26 o   5.7340   1.8080 1.992000 3.615000 
1 1 1    6   16   27 o   7.0450   1.9730 -0.6522000 3.945000 
1 1 1    6   17    0 f   10.070   2.6290 -0.000000 0.000000 
1 1 1    6   17    1 o   10.570   1.7460 2.682000 3.492000 
1 1 1    6   17    2 o   22.360   0.8793 1.261000 1.759000 
1 1 1    6   17    3 o   19.620   0.9796 -0.7943000 1.959000 
1 1 1    6   17    4 o   18.530   1.0720 -2.571000 2.143000 
1 1 1    6   17    5 o   6.6960   1.7630 4.076000 3.525000 
1 1 1    6   17    6 o   34.300   0.6462 2.638000 1.292000 
1 1 1    6   17    7 o   11.440   1.7440 0.8363000 3.488000 
1 1 1    6   17    8 o   9.9540   1.6390 9.370000 3.279000 
1 1 1    6   17    9 o   11.210   1.7880 -3.473000 3.577000 
1 1 1    6   17   10 o   38.080   0.6275 1.790000 1.255000 
1 1 1    6   17   11 o   34.830   0.6571 1.185000 1.314000 
1 1 1    6   17   12 o   9.6020   1.9100 -5.955000 3.820000 
1 1 1    6   17   13 o   37.940   0.6224 1.266000 1.245000 
1 1 1    6   17   14 o   18.650   1.1280 -0.3534000 2.257000 
1 1 1    6   17   15 f   10.680   1.9410 -1.269000 3.883000 
1 1 1    6   17   16 o   7.3050   1.9260 -3.612000 3.852000 
1 1 1    6   17   17 o   16.450   1.3370 0.8355000 2.674000 
1 1 1    6   17   18 o   9.4710   2.0200 -2.935000 4.040000 
1 1 1    6   17   19 o   8.1870   2.0730 -0.3763000 4.146000 
1 1 1    6   17   20 o   10.870   1.9770 -1.252000 3.954000 
1 1 1    6   17   21 o   11.380   1.9060 -1.642000 3.813000 
1 1 1    6   17   22 o   10.570   1.8910 -4.911000 3.781000 
1 1 1    6   17   23 o   11.530   2.1090 -2.714000 4.219000 
1 1 1    6   17   24 o   6.8400   1.9360 -1.595000 3.873000 
1 1 1    6   17   25 o   9.4200   2.0000 -0.1238000 4.001000 
1 1 1    6   17   26 o   8.6230   1.8990 -3.876000 3.798000 
1 1 1    6   18    0 o   14.860   2.0060 -0.000000 0.000000 
1 1 1    6   18    1 o   22.210   0.9603 -2.584000 1.921000 
1 1 1    6   18    2 o   15.970   1.3120 -1.240000 2.624000 
1 1 1    6   18    3 o   11.760   1.8900 4.116000 3.780000 
1 1 1    6   18    4 f   15.720   1.6270 -2.020000 3.255000 
1 1 1    6   18    5 o   32.390   0.7202 0.5796000 1.440000 
1 1 1    6   18    6 o   16.200   1.3140 -0.7513000 2.628000 
1 1 1    6   18    7 o   11.070   1.8380 5.666000 3.676000 
1 1 1    6   18    8 o   14.520   1.5550 2.028000 3.111000 
1 1 1    6   18    9 o   22.410   0.9967 0.5320000 1.993000 
1 1 1    6   18   10 o   24.630   1.0650 -0.2452000 2.131000 
1 1 1    6   18   11 o   18.480   1.2520 -5.690000 2.503000 
1 1 1    6   18   12 o   18.810   1.1890 -2.979000 2.377000 
1 1 1    6   18   13 o   9.2330   2.0840 -0.5936000 4.168000 
1 1 1    6   18   14 o   8.2610   2.0840 -0.1735000 4.167000 
1 1 1    6   18   15 o   10.310   1.9830 3.874000 3.965000 
1 1 1    6   18   16 o   13.480   1.7130 -2.711000 3.426000 
1 1 1    6   18   17 o   9.4210   2.0650 1.954000 4.129000 
1 1 1    6   18   18 f   11.050   1.9970 -0.5429000 3.994000 
1 1 1    6   18   19 o   6.4810   1.9400 -1.110000 3.880000 
1 1 1    6   18   20 o   9.0230   1.9200 5.143000 3.840000 
1 1 1    6   18   21 o   6.9200   1.9860 -0.8343000 3.972000 
1 1 1    6   18   22 o   10.120   2.0070 0.7707000 4.014000 
1 1 1    6   18   23 o   7.2130   1.8430 -4.560000 3.686000 
1 1 1    6   18   24 o   7.4730   1.8760 3.947000 3.753000 
1 1 1    6   18   25 o   6.5900   3.1610      ?      ? 
1 1 1    6   19    0 o   13.460   2.4080 -0.000000 0.000000 
1 1 1    6   19    1 o   14.500   1.5710 0.2171000 3.142000 
1 1 1    6   19    2 o   25.720   0.8786 2.892000 1.757000 
1 1 1    6   19    3 o   15.430   1.5070 -3.629000 3.013000 
1 1 1    6   19    4 o   10.770   1.9970 3.541000 3.993000 
1 1 1    6   19    5 o   7.1010   2.0240 0.5613000 4.047000 
1 1 1    6   19    6 o   14.220   1.6490 0.1366000 3.297000 
1 1 1    6   19    7 o   7.2230   2.0400 -0.6088000E-01 4.081000 
1 1 1    6   19    8 o   18.900   1.2330 0.5014000E-01 2.466000 
1 1 1    6   19    9 o   8.4230   2.0980 2.316000 4.196000 
1 1 1    6   19   10 f   8.5800   2.0840 3.068000 4.168000 
1 1 1    6   19   11 o   11.400   2.0080 3.432000 4.016000 
1 1 1    6   19   12 o   5.8860   1.8690 0.2589000 3.739000 
1 1 1    6   19   13 o   7.1520   2.0340 -1.155000 4.069000 
1 1 1    6   19   14 o   13.810   1.7400 -5.176000 3.480000 
1 1 1    6   19   15 o   9.1250   2.0110 4.327000 4.021000 
1 1 1    6   19   16 o   6.6990   1.9850 -0.1357000 3.970000 
1 1 1    6   19   17 o   5.7680   1.8180 1.538000 3.637000 
1 1 1    6   19   18 o   10.800   1.9680 -3.853000 3.936000 
1 1 1    6   19   19 o   9.7740   1.9460 -4.916000 3.892000 
1 1 1    6   19   20 o   8.2650   2.0760 -0.4921000 4.152000 
1 1 1    6   19   21 o   8.7210   1.9640 3.956000 3.929000 
1 1 1    6   19   22 o   6.5630   1.8600 -3.495000 3.720000 
1 1 1    6   19   23 o   6.9820   1.9670 0.1667000 3.934000 
1 1 1    6   20    0 o   12.240   2.7680 -0.000000 0.000000 
1 1 1    6   20    1 o   7.6370   2.0940 -1.643000 4.188000 
1 1 1    6   20    2 o   8.0690   2.1070 -2.077000 4.214000 
1 1 1    6   20    3 o   16.100   1.5370 1.335000 3.074000 
1 1 1    6   20    4 o   10.290   1.8650 -7.745000 3.731000 
1 1 1    6   20    5 o   9.7960   2.1610 -2.320000 4.323000 
1 1 1    6   20    6 o   9.6880   1.8620 7.617000 3.724000 
1 1 1    6   20    7 o   7.3180   2.0960 -0.8794000 4.192000 
1 1 1    6   20    8 o   10.010   2.1820 -1.318000 4.363000 
1 1 1    6   20    9 o   13.160   1.8640 -7.151000 3.727000 
1 1 1    6   20   10 o   8.1810   2.0070 -4.652000 4.014000 
1 1 1    6   20   11 o   16.960   1.4730 -4.214000 2.946000 
1 1 1    6   20   12 o   8.7520   2.0370 4.408000 4.074000 
1 1 1    6   20   13 o   10.880   2.0860 0.4886000 4.172000 
1 1 1    6   20   14 o   7.4100   2.0470 1.799000 4.094000 
1 1 1    6   20   15 o   7.4120   2.0230 1.755000 4.046000 
1 1 1    6   20   16 o   6.9670   1.9710 -1.937000 3.941000 
1 1 1    6   20   17 o   9.9770   1.9980 -3.823000 3.995000 
1 1 1    6   20   18 o   7.4500   2.0350 -1.803000 4.070000 
1 1 1    6   20   19 o   7.2620   1.9800 -2.571000 3.960000 
1 1 1    6   20   20 o   6.2440   1.8960 -0.3419000 3.792000 
1 1 1    6   20   21 o   6.3790   1.7800 -4.289000 3.560000 
1 1 1    6   21    0 o   9.8050   3.0890 -0.000000 0.000000 
1 1 1    6   21    1 o   9.2450   1.9810 5.880000 3.963000 
1 1 1    6   21    2 o   15.190   1.6850 2.009000 3.371000 
1 1 1    6   21    3 o   6.8110   2.0370 1.193000 4.074000 
1 1 1    6   21    4 o   15.120   1.7040 0.3699000 3.409000 
1 1 1    6   21    5 o   12.680   1.9000 8.122000 3.800000 
1 1 1    6   21    6 o   23.420   1.0800 -0.1519000 2.160000 
1 1 1    6   21    7 o   5.9470   1.8980 0.9042000 3.797000 
1 1 1    6   21    8 o   8.2760   2.1870 -1.202000 4.373000 
1 1 1    6   21    9 f   18.520   1.3850 -2.173000 2.770000 
1 1 1    6   21   10 o   8.8060   2.2020 0.7109000 4.403000 
1 1 1    6   21   11 o   10.040   1.9360 -6.761000 3.873000 
1 1 1    6   21   12 o   10.760   2.0730 -2.719000 4.146000 
1 1 1    6   21   13 o   7.4630   1.9980 -3.546000 3.996000 
1 1 1    6   21   14 o   12.290   1.9140 1.854000 3.827000 
1 1 1    6   21   15 o   6.5100   1.9450 -1.405000 3.890000 
1 1 1    6   21   16 o   6.3770   1.9320 0.5493000 3.864000 
1 1 1    6   21   17 o   7.7780   1.7220 -7.276000 3.444000 
1 1 1    6   21   18 o   5.9190   1.8520 -0.6160000 3.703000 
1 1 1    6   21   19 o   6.3540   1.8440 3.014000 3.688000 
1 1 1    6   22    0 o   6.5220   2.8610 -0.000000 0.000000 
1 1 1    6   22    1 o   8.5310   2.1890 2.327000 4.379000 
1 1 1    6   22    2 o   8.7450   2.2330 0.3759000 4.466000 
1 1 1    6   22    3 o   12.780   2.0100 0.1893000 4.021000 
1 1 1    6   22    4 o   12.200   2.0610 -3.071000 4.121000 
1 1 1    6   22    5 o   9.3110   2.2550 -1.055000 4.511000 
1 1 1    6   22    6 o   12.740   2.0170 1.760000 4.035000 
1 1 1    6   22    7 o   12.540   1.9680 4.075000 3.937000 
1 1 1    6   22    8 o   12.400   2.0130 2.286000 4.026000 
1 1 1    6   22    9 o   6.9710   1.9310 4.506000 3.862000 
1 1 1    6   22   10 o   13.270   1.8510 -1.997000 3.701000 
1 1 1    6   22   11 o   11.030   2.0280 -3.134000 4.057000 
1 1 1    6   22   12 o   6.5620   1.9780 -0.1759000 3.956000 
1 1 1    6   22   13 o   6.8100   1.9790 1.793000 3.958000 
1 1 1    6   22   14 o   9.5660   1.7180 8.275000 3.436000 
1 1 1    6   22   15 o   10.440   1.8130 -6.336000 3.626000 
1 1 1    6   22   16 o   7.6240   2.0000 -1.377000 3.999000 
1 1 1    6   22   17 o   7.2230   2.2370 -1.313000 4.473000 
1 1 1    6   23    0 o   8.9370   3.1660 -0.000000 0.000000 
1 1 1    6   23    1 o   7.6680   2.1340 -1.780000 4.267000 
1 1 1    6   23    2 o   9.1680   1.9400 6.811000 3.879000 
1 1 1    6   23    3 o   6.2860   1.9630 1.136000 3.925000 
1 1 1    6   23    4 o   6.5190   1.9530 2.826000 3.906000 
1 1 1    6   23    5 o   7.6230   2.1350 -0.3584000 4.270000 
1 1 1    6   23    6 o   8.2340   2.1660 0.8772000 4.331000 
1 1 1    6   23    7 o   8.5440   2.0000 5.107000 3.999000 
1 1 1    6   23    8 o   9.5840   2.1300 3.099000 4.260000 
1 1 1    6   23    9 o   9.8230   2.1780 -0.9111000E-01 4.355000 
1 1 1    6   23   10 o   6.0900   1.9100 0.7788000 3.820000 
1 1 1    6   23   11 o   9.6510   2.0110 -3.477000 4.022000 
1 1 1    6   23   12 o   11.890   1.8070 5.572000 3.614000 
1 1 1    6   23   13 o   7.8830   2.0100 -0.8121000 4.020000 
1 1 1    6   23   14 o   8.0470   2.3510 1.605000 4.701000 
1 1 1    6   24    0 o   8.5770   3.1310 -0.000000 0.000000 
1 1 1    6   24    1 o   7.7080   2.1350 2.257000 4.270000 
1 1 1    6   24    2 o   8.3520   2.1460 3.123000 4.291000 
1 1 1    6   24    3 o   7.7220   2.1630 0.6198000 4.327000 
1 1 1    6   24    4 o   7.9230   2.1440 1.820000 4.288000 
1 1 1    6   24    5 o   5.3700   1.7810 -0.2652000 3.561000 
1 1 1    6   24    6 o   7.2160   2.0760 -0.3262000 4.152000 
1 1 1    6   24    7 o   14.060   1.7110 2.774000 3.422000 
1 1 1    6   24    8 o   10.170   2.0020 -3.724000 4.003000 
1 1 1    6   24    9 o   6.9230   1.9860 -0.4663000 3.973000 
1 1 1    7    0    1 o  107.500   1.5840 -0.000000 0.000000 
1 1 1    7    0    2 o   80.480   0.8400 -0.000000 0.000000 
1 1 1    7    0    3 o   17.770   0.2597 -0.000000 0.000000 
1 1 1    7    0    4 o  122.700   1.4810 -0.000000 0.000000 
1 1 1    7    0    5 f   59.440   0.7239 -0.000000 0.000000 
1 1 1    7    0    6 o   68.930   0.8513 -0.000000 0.000000 
1 1 1    7    0    7 o   76.850   1.6110 -0.000000 0.000000 
1 1 1    7    0    8 o   25.470   0.6564 -0.000000 0.000000 
1 1 1    7    0    9 o   89.240   1.8680 -0.000000 0.000000 
1 1 1    7    0   11 o   35.620   0.4652 -0.000000 0.000000 
1 1 1    7    0   12 o   14.650   0.4099 -0.000000 0.000000 
1 1 1    7    0   13 o   39.440   0.6191 -0.000000 0.000000 
1 1 1    7    0   14 o   5.9080   0.8936 -0.000000 0.000000 
1 1 1    7    0   15 o   23.050   0.4437 -0.000000 0.000000 
1 1 1    7    0   16 o   13.610   0.4821 -0.000000 0.000000 
1 1 1    7    0   17 o   8.8080   0.7702 -0.000000 0.000000 
1 1 1    7    0   18 o   44.780   0.6990 -0.000000 0.000000 
1 1 1    7    0   19 o   68.190   1.0270 -0.000000 0.000000 
1 1 1    7    0   20 o   41.880   0.6713 -0.000000 0.000000 
1 1 1    7    0   21 o   6.1440   1.5390 -0.000000 0.000000 
1 1 1    7    0   22 o   4.9510   1.7070 -0.000000 0.000000 
1 1 1    7    0   23 o   43.940   0.7188 -0.000000 0.000000 
1 1 1    7    0   24 o   3.8580   1.6550 -0.000000 0.000000 
1 1 1    7    0   25 o   24.530   0.6620 -0.000000 0.000000 
1 1 1    7    0   26 o   6.1260   1.9760 -0.000000 0.000000 
1 1 1    7    0   27 o   50.080   0.8204 -0.000000 0.000000 
1 1 1    7    0   28 o   28.240   0.7297 -0.000000 0.000000 
1 1 1    7    0   29 o   5.8500   2.1850 -0.000000 0.000000 
1 1 1    7    0   30 f   24.100   0.8675 -0.000000 0.000000 
1 1 1    7    0   31 o   12.490   1.5920 -0.000000 0.000000 
1 1 1    7    0   32 o   9.4600   2.0670 -0.000000 0.000000 
1 1 1    7    0   33 o   16.380   1.2080 -0.000000 0.000000 
1 1 1    7    0   34 o   7.3020   2.2760 -0.000000 0.000000 
1 1 1    7    0   35 o   10.530   1.8950 -0.000000 0.000000 
1 1 1    7    1    1 o  157.400   2.3190      ?      ? 
1 1 1    7    1    2 o   39.270   0.4203 -5.293000 0.8406000 
1 1 1    7    1    3 o  110.200   1.1490 -0.4710000 2.297000 
1 1 1    7    1    4 o   90.600   0.9468 5.761000 1.894000 
1 1 1    7    1    5 o   36.230   0.3626 -3.313000 0.7252000 
1 1 1    7    1    6 o   71.320   0.6807 3.324000 1.361000 
1 1 1    7    1    7 o   66.890   0.5768 -5.103000 1.154000 
1 1 1    7    1    8 o   78.410   0.6756 -2.124000 1.351000 
1 1 1    7    1    9 o   11.890   0.2729 -2.084000 0.5457000 
1 1 1    7    1   10 o   74.220   0.6441 7.846000 1.288000 
1 1 1    7    1   11 o   68.470   0.6648 0.7260000 1.330000 
1 1 1    7    1   12 f   35.380   0.3630 8.158000 0.7261000 
1 1 1    7    1   13 o   62.000   0.6074 -3.193000 1.215000 
1 1 1    7    1   14 o   17.850   0.5193      ?      ? 
1 1 1    7    1   15 o   79.220   0.8382 1.265000 1.676000 
1 1 1    7    1   16 o   25.290   0.6422      ?      ? 
1 1 1    7    1   17 o   18.620   0.4224 -1.774000 0.8447000 
1 1 1    7    1   18 o   32.300   0.4795 -2.014000 0.9590000 
1 1 1    7    1   19 o   16.270   0.5089 -2.510000 1.018000 
1 1 1    7    1   20 o   10.830   0.7478 -0.8345000 1.496000 
1 1 1    7    1   21 o   19.770   0.4483 -0.6567000 0.8967000 
1 1 1    7    1   22 o   38.580   0.4724 -3.314000 0.9448000 
1 1 1    7    1   23 o   35.540   0.4135 -1.748000 0.8270000 
1 1 1    7    1   24 o   48.330   0.5008 1.239000 1.002000 
1 1 1    7    1   25 f   28.500   0.4221 -0.7653000 0.8442000 
1 1 1    7    1   26 o   45.800   0.5428 0.6651000 1.086000 
1 1 1    7    1   27 o   28.390   0.4530 0.1611000 0.9061000 
1 1 1    7    1   28 o   36.120   0.4706 -0.2491000 0.9413000 
1 1 1    7    1   29 o   50.220   0.5466 -1.973000 1.093000 
1 1 1    7    1   30 o   20.120   0.6413 0.4774000 1.283000 
1 1 1    7    1   31 o   20.570   0.7204 3.170000 1.441000 
1 1 1    7    1   32 o   23.290   0.5859 0.1544000 1.172000 
1 1 1    7    1   33 o   6.9170   1.5490 -1.931000 3.098000 
1 1 1    7    1   34 o   9.1510   1.3090 -3.274000 2.619000 
1 1 1    7    1   35 o   7.7800   1.5290 -1.065000 3.059000 
1 1 1    7    2    0 o   24.580   0.4347 -0.000000 0.000000 
1 1 1    7    2    1 o  219.800   2.2880 -1.670000 4.575000 
1 1 1    7    2    2 o   29.910   0.3166 -1.210000 0.6333000 
1 1 1    7    2    3 o   51.940   0.4505 -1.779000 0.9010000 
1 1 1    7    2    4 o   96.940   0.8271 -0.8664000 1.654000 
1 1 1    7    2    5 o   91.150   0.7784 1.057000 1.557000 
1 1 1    7    2    6 o   75.800   0.7390 -11.39000 1.478000 
1 1 1    7    2    7 o   20.270   0.2712 0.2199000 0.5424000 
1 1 1    7    2    8 o   64.010   0.5535 3.603000 1.107000 
1 1 1    7    2    9 o  105.000   0.8992 10.93000 1.798000 
1 1 1    7    2   10 o  200.200   1.7070 -4.745000 3.414000 
1 1 1    7    2   11 f  110.600   0.9456 -0.3128000 1.891000 
1 1 1    7    2   12 o   54.130   0.4743 1.667000 0.9485000 
1 1 1    7    2   13 o   31.100   0.4440      ?      ? 
1 1 1    7    2   14 o   32.710   0.3611 0.6385000 0.7222000 
1 1 1    7    2   15 o   13.470   0.4437 0.7777000 0.8874000 
1 1 1    7    2   16 o   13.920   0.4222 -2.085000 0.8444000 
1 1 1    7    2   17 o   30.600   0.3615 -1.158000 0.7230000 
1 1 1    7    2   18 o   18.060   0.4335 -4.426000 0.8669000 
1 1 1    7    2   19 o   42.540   0.4484 -2.440000 0.8969000 
1 1 1    7    2   20 f   23.080   0.3977 1.265000 0.7953000 
1 1 1    7    2   21 o   14.050   0.5684 -1.698000 1.137000 
1 1 1    7    2   23 o   29.380   0.5559 -3.147000 1.112000 
1 1 1    7    2   24 o   38.910   0.6014 -1.256000 1.203000 
1 1 1    7    2   25 o   20.050   0.6865 -3.746000 1.373000 
1 1 1    7    2   26 o   22.560   0.6734 -1.680000 1.347000 
1 1 1    7    2   27 o   26.130   0.6504 -0.6968000 1.301000 
1 1 1    7    2   28 f   21.030   0.7935 -1.165000 1.587000 
1 1 1    7    2   29 o   23.580   0.6524 0.7641000 1.305000 
1 1 1    7    2   30 o   21.810   0.6210 -1.498000 1.242000 
1 1 1    7    2   31 o   30.030   0.5359 1.581000 1.072000 
1 1 1    7    2   32 o   18.790   0.7185 -0.2540000 1.437000 
1 1 1    7    2   33 o   13.480   1.0030 1.895000 2.006000 
1 1 1    7    2   34 o   6.5650   1.5620 0.7411000 3.124000 
1 1 1    7    2   35 o   7.5460   1.5300 -3.548000 3.060000 
1 1 1    7    3    0 o   28.240   0.3580 -0.000000 0.000000 
1 1 1    7    3    1 o   13.810   0.2931 -2.740000 0.5863000 
1 1 1    7    3    2 o   34.400   0.3309 3.964000 0.6618000 
1 1 1    7    3    3 o   62.050   0.5977 -5.080000 1.195000 
1 1 1    7    3    4 o   81.890   0.7032 -9.242000 1.406000 
1 1 1    7    3    5 o   72.040   0.6224 -10.23000 1.245000 
1 1 1    7    3    6 o   76.570   0.6585 -2.546000 1.317000 
1 1 1    7    3    7 o   43.430   0.3958 -0.5606000 0.7916000 
1 1 1    7    3    8 o   79.540   0.6849 -2.431000 1.370000 
1 1 1    7    3    9 o   78.120   0.6731 -1.176000 1.346000 
1 1 1    7    3   10 o   23.180   0.3637 -5.656000 0.7274000 
1 1 1    7    3   11 o   75.980   0.6549 -1.050000 1.310000 
1 1 1    7    3   12 o   32.070   0.3365 2.764000 0.6729000 
1 1 1    7    3   13 o   47.830   0.4308 2.509000 0.8616000 
1 1 1    7    3   14 o   34.880   0.3479 -2.697000 0.6959000 
1 1 1    7    3   15 o   29.370   0.3642 -1.989000 0.7285000 
1 1 1    7    3   16 o   23.120   0.3666 2.189000 0.7332000 
1 1 1    7    3   17 o   26.670   0.3706 -0.6963000 0.7412000 
1 1 1    7    3   18 o   61.220   0.6066 -4.601000 1.213000 
1 1 1    7    3   19 o   37.370   0.4208 2.279000 0.8417000 
1 1 1    7    3   20 o   27.220   0.4075 3.621000 0.8150000 
1 1 1    7    3   21 o   47.990   0.5056 -2.973000 1.011000 
1 1 1    7    3   22 o   42.090   0.4714 -2.497000 0.9428000 
1 1 1    7    3   23 o   69.760   0.6882 0.7333000E-01 1.376000 
1 1 1    7    3   24 o   21.890   0.8028      ?      ? 
1 1 1    7    3   25 o   18.440   0.7480      ?      ? 
1 1 1    7    3   26 o   29.090   0.5093 0.3331000 1.019000 
1 1 1    7    3   27 o   33.310   0.5664 0.5848000 1.133000 
1 1 1    7    3   28 o   25.170   0.7583 -1.749000 1.517000 
1 1 1    7    3   29 o   18.550   0.9796 0.5220000 1.959000 
1 1 1    7    3   30 o   24.980   0.7970 -0.3740000 1.594000 
1 1 1    7    3   31 o   9.9500   1.7180 3.849000 3.436000 
1 1 1    7    3   32 o   17.740   1.0530 -3.481000 2.107000 
1 1 1    7    3   33 o   13.090   1.4070 0.7759000 2.813000 
1 1 1    7    3   34 o   6.1020   1.5500 -3.296000 3.099000 
1 1 1    7    3   35 f   10.850   1.2620 1.890000 2.523000 
1 1 1    7    4    0 o   28.120   0.3948 -0.000000 0.000000 
1 1 1    7    4    1 o   81.250   0.6054 1.704000 1.211000 
1 1 1    7    4    2 o   91.710   0.6817 -8.460000 1.363000 
1 1 1    7    4    3 o  110.400   0.8165 -1.714000 1.633000 
1 1 1    7    4    4 o   71.920   0.5393 0.9858000 1.079000 
1 1 1    7    4    5 o   81.050   0.6560 4.806000 1.312000 
1 1 1    7    4    6 o  117.800   0.9401 -1.601000 1.880000 
1 1 1    7    4    7 o   59.980   0.4969 3.994000 0.9938000 
1 1 1    7    4    8 o   62.320   0.5473 3.714000 1.095000 
1 1 1    7    4    9 o   41.160   0.3959 -4.518000 0.7918000 
1 1 1    7    4   10 o   41.120   0.3967 5.464000 0.7934000 
1 1 1    7    4   11 o   71.640   0.6221 0.4350000 1.244000 
1 1 1    7    4   12 o   68.120   0.5947 7.288000 1.189000 
1 1 1    7    4   13 o   68.540   0.5978 6.776000 1.196000 
1 1 1    7    4   14 o   38.200   0.3808 4.539000 0.7616000 
1 1 1    7    4   15 o   23.320   0.3565 0.7089000 0.7131000 
1 1 1    7    4   16 o   7.2760   0.9173 6.228000 1.835000 
1 1 1    7    4   17 o   19.160   0.4491 -3.361000 0.8981000 
1 1 1    7    4   18 o   29.210   0.4381 -4.879000 0.8762000 
1 1 1    7    4   19 o   29.610   0.4147 1.980000 0.8295000 
1 1 1    7    4   20 o   11.250   0.8765 -3.148000 1.753000 
1 1 1    7    4   21 o   31.640   0.4474 3.563000 0.8949000 
1 1 1    7    4   22 o   17.470   0.6412 0.3991000 1.282000 
1 1 1    7    4   23 o   51.180   0.5927 -2.953000 1.185000 
1 1 1    7    4   24 o   62.960   0.6379 -2.746000 1.276000 
1 1 1    7    4   25 f   31.460   0.4888 0.6894000 0.9776000 
1 1 1    7    4   26 o   17.430   0.7235 -1.374000 1.447000 
1 1 1    7    4   27 o   14.710   1.0430 1.713000 2.086000 
1 1 1    7    4   28 o   23.990   0.6436 -0.9330000 1.287000 
1 1 1    7    4   29 o   25.030   0.6624 0.6237000 1.325000 
1 1 1    7    4   30 o   18.220   0.8685 0.8314000 1.737000 
1 1 1    7    4   31 f   19.420   0.8264 -1.175000 1.653000 
1 1 1    7    4   32 o   19.670   0.8980 -1.687000 1.796000 
1 1 1    7    4   33 o   11.900   1.6320 2.044000 3.264000 
1 1 1    7    4   34 o   9.5660   1.8250 1.772000 3.651000 
1 1 1    7    4   35 o   6.4420   1.7880 1.921000 3.575000 
1 1 1    7    5    0 o  146.800   1.5330 -0.000000 0.000000 
1 1 1    7    5    1 o   24.020   0.3228 -4.013000 0.6457000 
1 1 1    7    5    2 o   49.910   0.3966 -5.438000 0.7932000 
1 1 1    7    5    3 o  126.100   0.9328 3.124000 1.866000 
1 1 1    7    5    4 o   56.680   0.4399 -5.236000 0.8798000 
1 1 1    7    5    5 o   57.040   0.4430 -5.162000 0.8859000 
1 1 1    7    5    6 o   90.290   0.6731 3.043000 1.346000 
1 1 1    7    5    7 o  151.700   1.2080 -3.897000 2.416000 
1 1 1    7    5    8 o   89.180   0.7190 0.5472000 1.438000 
1 1 1    7    5    9 o   29.170   0.3535 -1.927000 0.7069000 
1 1 1    7    5   10 f   80.960   0.6554 -1.897000 1.311000 
1 1 1    7    5   11 o   90.200   0.7262 -1.543000 1.452000 
1 1 1    7    5   12 f   58.800   0.4941 2.375000 0.9882000 
1 1 1    7    5   13 o   54.950   0.4685 5.300000 0.9370000 
1 1 1    7    5   14 o   27.500   0.3567 0.8278000 0.7134000 
1 1 1    7    5   15 o   21.470   0.4094 0.7907000 0.8188000 
1 1 1    7    5   16 o   40.870   0.4110 3.013000 0.8219000 
1 1 1    7    5   17 o   26.060   0.3890 -0.6786000 0.7781000 
1 1 1    7    5   18 o   7.1560   1.1000 4.168000 2.201000 
1 1 1    7    5   19 o   54.160   0.5584 -2.594000 1.117000 
1 1 1    7    5   20 o   23.900   0.5696 5.799000 1.139000 
1 1 1    7    5   21 o   9.9020   1.0680 -1.226000 2.135000 
1 1 1    7    5   22 o   13.940   0.8109 0.7264000 1.622000 
1 1 1    7    5   23 o   46.760   0.5731 0.7956000 1.146000 
1 1 1    7    5   24 o   27.340   0.7914      ?      ? 
1 1 1    7    5   25 o   42.570   0.5175 0.3108000 1.035000 
1 1 1    7    5   26 o   12.580   1.0950 0.4786000 2.190000 
1 1 1    7    5   27 o   26.790   0.6007 1.833000 1.201000 
1 1 1    7    5   28 o   15.080   1.0860 2.610000 2.173000 
1 1 1    7    5   29 o   13.600   1.7860      ?      ? 
1 1 1    7    5   30 o   16.980   0.9607 -4.984000 1.921000 
1 1 1    7    5   31 o   8.5610   1.7020 -3.643000 3.404000 
1 1 1    7    5   32 o   17.890   0.9288 -0.4818000 1.858000 
1 1 1    7    5   33 o   6.3030   1.6330 2.608000 3.265000 
1 1 1    7    5   34 o   13.270   1.1280 2.854000 2.257000 
1 1 1    7    5   35 o   9.6130   1.4190 -5.835000 2.837000 
1 1 1    7    6    0 o   35.120   0.4809 -0.000000 0.000000 
1 1 1    7    6    1 o   86.080   0.6448 1.365000 1.290000 
1 1 1    7    6    2 o   47.240   0.3891 -2.110000 0.7781000 
1 1 1    7    6    3 o   38.050   0.3488 5.444000 0.6976000 
1 1 1    7    6    4 o   74.620   0.5649 -5.634000 1.130000 
1 1 1    7    6    5 o   93.610   0.6991 2.850000 1.398000 
1 1 1    7    6    6 o   79.110   0.5964 2.567000 1.193000 
1 1 1    7    6    7 o   34.370   0.3440 -0.7581000 0.6879000 
1 1 1    7    6    8 o   25.300   0.3579 0.6166000 0.7158000 
1 1 1    7    6    9 o   50.880   0.4142 -3.267000 0.8285000 
1 1 1    7    6   10 o   58.190   0.4928 -4.026000 0.9856000 
1 1 1    7    6   11 o   13.460   0.6275 -0.2472000 1.255000 
1 1 1    7    6   12 o   24.250   0.4018 -0.1999000 0.8036000 
1 1 1    7    6   13 o   27.410   0.3863 6.077000 0.7725000 
1 1 1    7    6   14 o   41.540   0.3972 -3.198000 0.7943000 
1 1 1    7    6   15 o   29.800   0.3825 3.473000 0.7650000 
1 1 1    7    6   16 o   53.310   0.4611 -4.492000 0.9221000 
1 1 1    7    6   17 o   31.580   0.3879 1.953000 0.7759000 
1 1 1    7    6   18 o   31.030   0.4531 -3.761000 0.9061000 
1 1 1    7    6   19 o   65.280   0.5501 1.914000 1.100000 
1 1 1    7    6   20 f   63.460   0.5377 -1.343000 1.075000 
1 1 1    7    6   21 o   22.040   0.5780 -3.764000 1.156000 
1 1 1    7    6   22 o   22.230   0.5335 0.2774000 1.067000 
1 1 1    7    6   23 f   25.850   0.5078 -3.366000 1.016000 
1 1 1    7    6   24 o   11.710   1.1500 -0.5098000 2.300000 
1 1 1    7    6   25 o   37.920   0.4762 -1.603000 0.9524000 
1 1 1    7    6   26 o   26.960   0.6324 1.393000 1.265000 
1 1 1    7    6   27 o   29.930   0.5417 -0.3768000 1.083000 
1 1 1    7    6   28 o   19.020   0.7723 0.7418000 1.545000 
1 1 1    7    6   29 o   19.970   0.8769 -3.598000 1.754000 
1 1 1    7    6   30 f   18.020   0.8630 1.433000 1.726000 
1 1 1    7    6   31 o   17.780   0.8708 -1.110000 1.742000 
1 1 1    7    6   32 o   6.4230   1.7090 -0.3705000 3.419000 
1 1 1    7    6   33 o   13.220   1.1540 0.4088000 2.307000 
1 1 1    7    6   34 o   14.180   1.0600 1.317000 2.120000 
1 1 1    7    7    0 o   17.880   0.6599 -0.000000 0.000000 
1 1 1    7    7    1 o   40.800   0.3737 6.187000 0.7473000 
1 1 1    7    7    2 o   41.580   0.3738 -4.366000 0.7476000 
1 1 1    7    7    3 o  118.100   0.8761 4.635000 1.752000 
1 1 1    7    7    4 o   90.380   0.6786 8.971000 1.357000 
1 1 1    7    7    5 o   85.910   0.6465 0.5027000 1.293000 
1 1 1    7    7    6 o   48.820   0.4082 0.1892000 0.8164000 
1 1 1    7    7    7 o  106.900   0.7960 0.6702000 1.592000 
1 1 1    7    7    8 o   16.280   0.5443 2.913000 1.089000 
1 1 1    7    7    9 o   35.020   0.3650 0.4182000 0.7301000 
1 1 1    7    7   10 o   53.530   0.4351 0.6091000 0.8702000 
1 1 1    7    7   11 o   24.190   0.4049 3.309000 0.8097000 
1 1 1    7    7   12 o   52.450   0.4662 1.462000 0.9323000 
1 1 1    7    7   13 o   37.500   0.4076 0.5603000 0.8153000 
1 1 1    7    7   14 o   72.890   0.6034 0.3059000E-02 1.207000 
1 1 1    7    7   15 o   17.530   0.5618 4.376000 1.124000 
1 1 1    7    7   16 o   36.390   0.4054 2.688000 0.8107000 
1 1 1    7    7   17 o   19.230   0.5331 3.361000 1.066000 
1 1 1    7    7   18 o   22.620   0.5458 -1.232000 1.092000 
1 1 1    7    7   19 o   39.880   0.4251 -1.493000 0.8503000 
1 1 1    7    7   20 o   62.850   0.5415 0.4900000 1.083000 
1 1 1    7    7   21 o   42.550   0.4470 2.177000 0.8940000 
1 1 1    7    7   22 f   16.910   0.8361 3.764000 1.672000 
1 1 1    7    7   23 o   21.410   0.6376 0.4792000 1.275000 
1 1 1    7    7   24 o   61.900   0.5837 2.160000 1.167000 
1 1 1    7    7   25 o   21.050   0.7555 -1.656000 1.511000 
1 1 1    7    7   26 o   16.240   0.8824 0.1167000 1.765000 
1 1 1    7    7   27 o   26.510   0.6164 2.548000 1.233000 
1 1 1    7    7   28 o   14.870   1.1510 1.817000 2.301000 
1 1 1    7    7   29 o   15.920   1.0200 2.977000 2.039000 
1 1 1    7    7   30 o   10.470   1.5490 -1.358000 3.097000 
1 1 1    7    7   31 o   22.320   0.7430 0.5109000 1.486000 
1 1 1    7    7   32 o   13.590   1.1620 -1.211000 2.324000 
1 1 1    7    7   33 o   12.040   1.3170 1.263000 2.635000 
1 1 1    7    7   34 o   8.7280   1.5390 -4.588000 3.077000 
1 1 1    7    8    0 o   68.730   0.7534 -0.000000 0.000000 
1 1 1    7    8    1 o   49.390   0.4174 -3.280000 0.8348000 
1 1 1    7    8    2 o   22.070   0.4510 5.700000 0.9021000 
1 1 1    7    8    3 f   20.120   0.4796 -3.781000 0.9593000 
1 1 1    7    8    4 o   60.650   0.4809 0.6035000 0.9618000 
1 1 1    7    8    5 o   27.320   0.3966 -0.1305000 0.7931000 
1 1 1    7    8    6 o   23.760   0.4344 6.225000 0.8687000 
1 1 1    7    8    7 f   55.540   0.4519 -1.441000 0.9038000 
1 1 1    7    8    8 o   37.540   0.3809 -1.595000 0.7617000 
1 1 1    7    8    9 o   21.430   0.4747 -3.793000 0.9494000 
1 1 1    7    8   10 o   14.310   0.6773 4.120000 1.355000 
1 1 1    7    8   11 o   63.720   0.5022 -3.927000 1.004000 
1 1 1    7    8   12 o   50.170   0.4289 0.9532000 0.8579000 
1 1 1    7    8   13 o   53.440   0.4862 -1.434000 0.9724000 
1 1 1    7    8   14 o   26.140   0.4620 2.512000 0.9240000 
1 1 1    7    8   15 o   37.530   0.4227 -0.7831000 0.8455000 
1 1 1    7    8   16 o   33.560   0.4305 -0.5327000 0.8609000 
1 1 1    7    8   17 o   10.480   1.0650 0.8367000 2.129000 
1 1 1    7    8   18 o   34.940   0.5080 0.2478000 1.016000 
1 1 1    7    8   19 o   21.350   0.6681 1.848000 1.336000 
1 1 1    7    8   20 o   28.360   0.4988 2.031000 0.9976000 
1 1 1    7    8   21 o   33.990   0.5447 -0.8433000 1.089000 
1 1 1    7    8   22 o   33.680   0.4870 -1.652000 0.9741000 
1 1 1    7    8   23 o   50.890   0.5015 1.920000 1.003000 
1 1 1    7    8   24 o   17.900   0.8469 -1.228000 1.694000 
1 1 1    7    8   25 o   16.430   0.9706 -0.1907000 1.941000 
1 1 1    7    8   26 o   25.900   0.6839 0.3871000 1.368000 
1 1 1    7    8   27 o   20.740   0.9181 -2.939000 1.836000 
1 1 1    7    8   28 o   7.2250   1.7760 1.793000 3.551000 
1 1 1    7    8   29 o   36.160   0.5794 -0.9771000 1.159000 
1 1 1    7    8   30 o   14.590   1.2010 0.4859000 2.401000 
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1 1 1    7    8   33 o   10.910   1.5110 2.114000 3.022000 
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1 1 1    7    9    0 o   45.110   0.5806 -0.000000 0.000000 
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1 1 1    7    9    2 o   41.440   0.4041 -5.066000 0.8081000 
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1 1 1    7    9    4 o   17.830   0.5858 -2.596000 1.172000 
1 1 1    7    9    5 o   76.550   0.5894 -0.4081000 1.179000 
1 1 1    7    9    6 o   75.100   0.5788 3.039000 1.158000 
1 1 1    7    9    7 o   73.500   0.5699 4.006000 1.140000 
1 1 1    7    9    8 o   9.6040   1.1340 -4.335000 2.267000 
1 1 1    7    9    9 o   47.560   0.4243 -1.436000 0.8487000 
1 1 1    7    9   10 o   19.470   0.5489 0.7370000 1.098000 
1 1 1    7    9   11 o   24.300   0.4744 2.427000 0.9488000 
1 1 1    7    9   12 o   21.960   0.5137 -0.1137000 1.027000 
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1 1 1    7    9   15 o   25.720   0.4710 -0.5534000 0.9420000 
1 1 1    7    9   16 o   25.770   0.5766 2.491000 1.153000 
1 1 1    7    9   17 o   21.930   0.5943 -2.287000 1.189000 
1 1 1    7    9   18 o   31.610   0.4821 0.9397000 0.9641000 
1 1 1    7    9   19 o   46.390   0.4827 -0.1559000 0.9654000 
1 1 1    7    9   20 o   13.900   1.1060 0.3245000 2.213000 
1 1 1    7    9   21 o   29.920   0.5413 6.557000 1.083000 
1 1 1    7    9   22 o   13.580   1.1910 -6.004000 2.382000 
1 1 1    7    9   23 o   19.010   0.8004 0.6158000 1.601000 
1 1 1    7    9   24 o   17.100   0.9227 3.821000 1.845000 
1 1 1    7    9   25 o   21.640   0.8204 -0.1282000E-01 1.641000 
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1 1 1    7    9   27 o   15.320   1.2290 -4.185000 2.459000 
1 1 1    7    9   28 o   21.700   0.8742 -1.589000 1.748000 
1 1 1    7    9   29 o   20.810   0.9163 -2.251000 1.833000 
1 1 1    7    9   30 o   20.410   0.9187 -1.353000 1.837000 
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1 1 1    7    9   32 o   11.430   1.5540 -3.268000 3.108000 
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1 1 1    7   10    0 o   61.270   0.7053 -0.000000 0.000000 
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1 1 1    7   10    2 o   53.870   0.4614 -5.471000 0.9228000 
1 1 1    7   10    3 o   52.910   0.4575 0.1364000 0.9150000 
1 1 1    7   10    4 o   57.320   0.4787 0.8681000 0.9573000 
1 1 1    7   10    5 o   16.660   0.7289 -2.546000 1.458000 
1 1 1    7   10    6 o   14.430   0.7774 -1.117000 1.555000 
1 1 1    7   10    7 o   11.820   1.0610 -1.146000 2.123000 
1 1 1    7   10    8 o   25.020   0.4870 -0.4259000 0.9739000 
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1 1 1    7   10   12 o   29.400   0.4487 1.447000 0.8975000 
1 1 1    7   10   13 o   18.730   0.6407 2.261000 1.281000 
1 1 1    7   10   14 o   24.070   0.5242 3.376000 1.048000 
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1 1 1    7   10   16 o   21.010   0.6598 4.066000 1.320000 
1 1 1    7   10   17 o   12.300   1.2730 1.653000 2.546000 
1 1 1    7   10   18 o   31.280   0.6093 3.126000 1.219000 
1 1 1    7   10   19 o   33.590   0.5279 1.720000 1.056000 
1 1 1    7   10   20 o   39.450   0.5896 1.261000 1.179000 
1 1 1    7   10   21 f   8.7820   1.6900 0.3271000 3.380000 
1 1 1    7   10   22 o   27.780   0.6231 1.794000 1.246000 
1 1 1    7   10   23 o   18.330   1.0260 3.253000 2.053000 
1 1 1    7   10   24 o   29.800   0.6313 0.9826000 1.263000 
1 1 1    7   10   25 o   16.110   1.1120 3.306000 2.224000 
1 1 1    7   10   26 o   16.650   1.1100 -0.3807000 2.221000 
1 1 1    7   10   27 o   10.130   1.8650 0.3959000E-01 3.730000 
1 1 1    7   10   28 o   26.840   0.7747 0.7862000 1.549000 
1 1 1    7   10   29 o   9.9610   1.8730 3.173000 3.745000 
1 1 1    7   10   30 o   6.7280   1.9010 0.3763000 3.801000 
1 1 1    7   10   31 o   24.980   0.8058 2.521000 1.612000 
1 1 1    7   10   32 o   11.960   1.5880 -3.449000 3.176000 
1 1 1    7   11    0 o   16.010   1.0880 -0.000000 0.000000 
1 1 1    7   11    1 o   9.6360   1.2760 0.3311000 2.553000 
1 1 1    7   11    2 o   62.720   0.5145 4.387000 1.029000 
1 1 1    7   11    3 o   34.210   0.4441 -2.940000 0.8881000 
1 1 1    7   11    4 o   9.1880   1.3150 -0.1826000 2.630000 
1 1 1    7   11    5 o   16.960   0.7233 -2.134000 1.447000 
1 1 1    7   11    6 o   24.440   0.5429 3.471000 1.086000 
1 1 1    7   11    7 o   20.740   0.6110 1.842000 1.222000 
1 1 1    7   11    8 o   19.590   0.7075 -2.877000 1.415000 
1 1 1    7   11    9 o   68.290   0.5464 1.752000 1.093000 
1 1 1    7   11   10 o   25.690   0.5201 -0.4177000 1.040000 
1 1 1    7   11   11 o   17.310   0.7806 -1.666000 1.561000 
1 1 1    7   11   12 o   35.630   0.4571 -1.254000 0.9141000 
1 1 1    7   11   13 o   10.310   1.2580 9.976000 2.517000 
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1 1 1    7   11   15 o   28.160   0.5120 -1.796000 1.024000 
1 1 1    7   11   16 o   24.980   0.6308 6.884000 1.262000 
1 1 1    7   11   17 o   21.140   0.6940 3.144000 1.388000 
1 1 1    7   11   18 o   21.570   0.6863 0.9708000 1.373000 
1 1 1    7   11   19 o   32.480   0.5736 -1.056000 1.147000 
1 1 1    7   11   20 o   44.680   0.5338 2.656000 1.068000 
1 1 1    7   11   21 o   15.840   1.0760 2.157000 2.153000 
1 1 1    7   11   22 o   9.3680   1.7650 2.555000 3.531000 
1 1 1    7   11   23 o   38.630   0.5754 0.6762000 1.151000 
1 1 1    7   11   24 o   33.510   0.6326 0.5783000 1.265000 
1 1 1    7   11   25 o   16.780   1.1770 3.908000 2.353000 
1 1 1    7   11   26 o   16.310   1.2280 0.7678000 2.455000 
1 1 1    7   11   27 o   17.230   1.1530 0.5909000E-02 2.305000 
1 1 1    7   11   28 o   11.080   1.7720 5.954000 3.544000 
1 1 1    7   11   29 o   11.640   1.7880 1.230000 3.576000 
1 1 1    7   11   30 o   15.860   1.3320 -3.525000 2.665000 
1 1 1    7   11   31 o   12.170   1.6400 0.8101000 3.279000 
1 1 1    7   11   32 o   8.0160   1.8970 2.378000 3.793000 
1 1 1    7   12    0 o   8.6360   2.0580 -0.000000 0.000000 
1 1 1    7   12    1 o   25.900   0.5365 -3.267000 1.073000 
1 1 1    7   12    2 o   9.4860   1.3530 -5.646000 2.705000 
1 1 1    7   12    3 o   20.100   0.6638 -1.069000 1.328000 
1 1 1    7   12    4 o   22.770   0.5952 -4.113000 1.190000 
1 1 1    7   12    5 o   23.420   0.5784 -1.322000 1.157000 
1 1 1    7   12    6 o   13.640   0.9768 -2.833000 1.954000 
1 1 1    7   12    7 o   42.000   0.4609 -0.3234000 0.9217000 
1 1 1    7   12    8 o   14.800   0.8940 -0.4906000 1.788000 
1 1 1    7   12    9 o   18.840   0.7343 -2.011000 1.469000 
1 1 1    7   12   10 o   48.240   0.4703 -1.826000 0.9407000 
1 1 1    7   12   11 o   11.790   1.2520 6.635000 2.505000 
1 1 1    7   12   12 o   26.310   0.5998 1.352000 1.200000 
1 1 1    7   12   13 o   34.330   0.4876 -4.523000 0.9752000 
1 1 1    7   12   14 o   29.470   0.5265 -0.5425000 1.053000 
1 1 1    7   12   15 o   21.900   0.6898 1.682000 1.380000 
1 1 1    7   12   16 o   27.900   0.5720 0.3551000 1.144000 
1 1 1    7   12   17 o   24.890   0.7183 -1.649000 1.437000 
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1 1 1    7   12   19 o   14.130   1.1620 2.058000 2.323000 
1 1 1    7   12   20 o   10.170   1.8940 4.407000 3.788000 
1 1 1    7   12   21 o   9.8090   1.9870 3.539000 3.973000 
1 1 1    7   12   22 o   19.690   0.9795 2.981000 1.959000 
1 1 1    7   12   23 o   20.520   0.9682 4.084000 1.936000 
1 1 1    7   12   24 o   30.760   0.7176 0.7833000 1.435000 
1 1 1    7   12   25 o   21.430   0.9752 2.941000 1.950000 
1 1 1    7   12   26 o   20.450   1.0360 4.220000 2.072000 
1 1 1    7   12   27 o   5.9100   1.7900 2.722000 3.581000 
1 1 1    7   12   28 o   11.490   1.7920 0.7802000 3.583000 
1 1 1    7   12   29 o   8.8080   2.0540 -0.4784000 4.109000 
1 1 1    7   12   30 o   7.5080   1.9160 3.228000 3.833000 
1 1 1    7   12   31 o   6.8290   1.8820 1.978000 3.764000 
1 1 1    7   13    0 o   19.220   1.0650 -0.000000 0.000000 
1 1 1    7   13    1 o   33.070   0.5007 2.939000 1.001000 
1 1 1    7   13    2 o   49.090   0.4780 2.050000 0.9560000 
1 1 1    7   13    3 o   45.840   0.4698 -3.835000 0.9396000 
1 1 1    7   13    4 o   23.040   0.6392 -3.599000 1.278000 
1 1 1    7   13    5 o   16.250   0.9034 3.943000 1.807000 
1 1 1    7   13    6 o   11.940   1.2690 3.866000 2.538000 
1 1 1    7   13    7 o   45.110   0.4853 4.461000 0.9706000 
1 1 1    7   13    8 o   24.810   0.7163 0.5370000 1.433000 
1 1 1    7   13    9 o   46.700   0.4852 2.902000 0.9703000 
1 1 1    7   13   10 o   18.770   0.7988 -0.8144000E-01 1.598000 
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1 1 1    7   13   13 o   19.260   0.7997 -2.786000 1.599000 
1 1 1    7   13   14 o   20.220   0.7767 3.285000 1.553000 
1 1 1    7   13   15 o   19.760   0.8671 -2.664000 1.734000 
1 1 1    7   13   16 o   11.120   1.5740 3.798000 3.147000 
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1 1 1    7   13   18 f   19.760   0.9037 5.865000 1.807000 
1 1 1    7   13   19 f   6.8550   1.8170 0.6120000 3.635000 
1 1 1    7   13   20 o   25.950   0.7209 -2.453000 1.442000 
1 1 1    7   13   21 o   31.730   0.6496 5.023000 1.299000 
1 1 1    7   13   22 o   18.170   1.1490 2.086000 2.297000 
1 1 1    7   13   23 o   35.560   0.6753 2.439000 1.351000 
1 1 1    7   13   24 o   6.7070   1.9540 0.6028000 3.908000 
1 1 1    7   13   25 o   16.540   1.3270 3.476000 2.655000 
1 1 1    7   13   26 o   8.7530   2.0740 0.9336000 4.149000 
1 1 1    7   13   27 o   8.5270   1.8500 5.938000 3.700000 
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1 1 1    7   13   29 o   6.6300   1.7960 -3.221000 3.593000 
1 1 1    7   13   30 o   7.5540   1.9680 -2.392000 3.936000 
1 1 1    7   14    0 o   56.790   0.7340 -0.000000 0.000000 
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1 1 1    7   14    3 f   30.540   0.5653 -0.1900000 1.131000 
1 1 1    7   14    4 f   35.360   0.5222 1.818000 1.044000 
1 1 1    7   14    5 o   43.590   0.5007 2.075000 1.001000 
1 1 1    7   14    6 o   27.080   0.6282 -0.4847000 1.256000 
1 1 1    7   14    7 o   41.820   0.5098 -4.137000 1.020000 
1 1 1    7   14    8 o   66.780   0.5653 -0.7508000 1.131000 
1 1 1    7   14    9 o   14.350   1.1350 2.129000 2.271000 
1 1 1    7   14   10 o   20.050   0.9330 -5.022000 1.866000 
1 1 1    7   14   11 o   22.990   0.7984 -2.220000 1.597000 
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1 1 1    7   14   14 o   12.800   1.3080 2.705000 2.615000 
1 1 1    7   14   15 o   20.950   0.8200 -2.676000 1.640000 
1 1 1    7   14   16 o   22.080   0.8185 -1.490000 1.637000 
1 1 1    7   14   17 o   19.920   0.9226 3.114000 1.845000 
1 1 1    7   14   18 o   14.250   1.5550 6.473000 3.111000 
1 1 1    7   14   19 o   23.940   0.8726 -1.370000 1.745000 
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1 1 1    7   14   28 o   13.740   1.5990 -3.701000 3.198000 
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1 1 1    7   15    3 o   13.770   1.2610 -1.984000 2.523000 
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1 1 1    7   15    7 o   34.390   0.5805 0.3149000 1.161000 
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1 1 1    7   15    9 o   9.4770   1.7690 -2.276000 3.538000 
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1 1 1    7   15   15 o   20.530   0.9100 -0.5936000E-01 1.820000 
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1 1 1    7   15   21 o   15.790   1.3420 -0.3580000 2.684000 
1 1 1    7   15   22 o   12.110   1.8000 3.864000 3.600000 
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1 1 1    7   15   27 f   18.260   1.1990 2.454000 2.398000 
1 1 1    7   15   28 o   11.280   1.8420 -0.8976000 3.684000 
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1 1 1    7   16    3 o   41.990   0.5541 1.616000 1.108000 
1 1 1    7   16    4 o   38.060   0.5704 3.840000 1.141000 
1 1 1    7   16    5 o   18.900   1.0630 2.432000 2.126000 
1 1 1    7   16    6 o   37.860   0.5778 1.972000 1.156000 
1 1 1    7   16    7 o   20.330   0.9263 -1.109000 1.853000 
1 1 1    7   16    8 o   44.470   0.5580 -3.294000 1.116000 
1 1 1    7   16    9 o   23.950   0.8046 -1.955000 1.609000 
1 1 1    7   16   10 o   20.010   1.0490 -2.629000 2.099000 
1 1 1    7   16   11 o   36.100   0.6083 -0.3100000 1.217000 
1 1 1    7   16   12 o   47.350   0.5610 1.672000 1.122000 
1 1 1    7   16   13 o   28.870   0.7236 -3.484000 1.447000 
1 1 1    7   16   14 o   22.950   0.8593 -1.765000 1.719000 
1 1 1    7   16   15 o   7.4940   1.9100 -2.581000 3.821000 
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1 1 1    7   16   20 o   11.430   1.8790 0.9605000 3.759000 
1 1 1    7   16   21 o   20.940   1.0490 -0.2102000 2.098000 
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1 1 1    7   16   24 o   8.5310   2.1070 -0.6523000 4.214000 
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1 1 1    7   16   26 f   8.5030   2.0020 4.419000 4.004000 
1 1 1    7   16   27 o   10.800   1.8160 -5.547000 3.631000 
1 1 1    7   17    0 o   17.530   1.5450 -0.000000 0.000000 
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1 1 1    7   17    3 o   22.760   0.8748 -1.675000 1.750000 
1 1 1    7   17    4 o   6.6940   1.8670 -1.208000 3.734000 
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1 1 1    7   17    6 o   16.860   1.2190 -5.386000 2.438000 
1 1 1    7   17    7 o   17.660   1.1420 0.7755000 2.284000 
1 1 1    7   17    8 o   26.080   0.8094 1.533000 1.619000 
1 1 1    7   17    9 o   15.200   1.5660 6.054000 3.132000 
1 1 1    7   17   10 o   37.490   0.6308 -2.323000 1.262000 
1 1 1    7   17   11 o   36.530   0.6394 -0.7734000 1.279000 
1 1 1    7   17   12 o   16.770   1.2330 -0.8163000 2.466000 
1 1 1    7   17   13 o   23.120   1.0380 4.534000 2.076000 
1 1 1    7   17   14 o   10.160   1.9080 -3.330000 3.817000 
1 1 1    7   17   15 o   9.3320   2.0170 -1.721000 4.034000 
1 1 1    7   17   16 o   9.4210   1.9320 -4.585000 3.864000 
1 1 1    7   17   17 o   6.0560   1.8470 -1.863000 3.695000 
1 1 1    7   17   18 o   8.9410   2.0870 1.091000 4.175000 
1 1 1    7   17   19 o   7.7690   1.9430 3.885000 3.886000 
1 1 1    7   17   20 o   12.280   1.8350 2.612000 3.669000 
1 1 1    7   17   21 o   8.2640   2.0660 -0.8862000 4.131000 
1 1 1    7   17   22 o   7.4370   2.0250 -0.6110000 4.050000 
1 1 1    7   17   23 o   10.150   2.0110 -0.3316000 4.022000 
1 1 1    7   17   24 o   17.950   1.1980 -1.472000 2.395000 
1 1 1    7   17   25 f   10.960   1.8120 4.747000 3.625000 
1 1 1    7   17   26 o   10.690   1.9630 -1.639000 3.926000 
1 1 1    7   18    0 o   13.520   2.2380 -0.000000 0.000000 
1 1 1    7   18    1 o   28.760   0.7672 0.1125000E-01 1.534000 
1 1 1    7   18    2 o   47.210   0.5865 0.7685000 1.173000 
1 1 1    7   18    3 o   24.240   0.8924 -1.509000 1.785000 
1 1 1    7   18    4 o   38.270   0.6327 -1.943000 1.265000 
1 1 1    7   18    5 o   13.060   1.6670 -3.430000 3.334000 
1 1 1    7   18    6 o   31.160   0.7391 0.6713000 1.478000 
1 1 1    7   18    7 o   24.880   0.8932 1.532000 1.786000 
1 1 1    7   18    8 o   19.980   1.1010 1.890000 2.202000 
1 1 1    7   18    9 o   16.550   1.3460 -1.551000 2.692000 
1 1 1    7   18   10 o   10.360   2.0100 0.2112000 4.020000 
1 1 1    7   18   11 o   8.9930   1.9900 -3.989000 3.979000 
1 1 1    7   18   12 o   10.880   1.9760 0.4227000 3.951000 
1 1 1    7   18   13 o   12.450   1.8150 -0.9606000 3.631000 
1 1 1    7   18   14 o   14.970   1.5240 -2.014000 3.047000 
1 1 1    7   18   15 o   11.190   1.8260 -6.922000 3.652000 
1 1 1    7   18   16 o   9.8650   2.0710 -1.448000 4.141000 
1 1 1    7   18   17 o   11.090   1.9190 -4.331000 3.838000 
1 1 1    7   18   18 o   9.3290   2.0540 -2.867000 4.108000 
1 1 1    7   18   19 o   11.640   1.8990 -3.735000 3.798000 
1 1 1    7   18   20 o   11.920   1.8550 -3.080000 3.709000 
1 1 1    7   18   21 o   14.360   1.5520 -0.2746000 3.105000 
1 1 1    7   18   22 o   9.5020   2.0170 -2.215000 4.033000 
1 1 1    7   18   23 o   8.0270   2.0120 -1.951000 4.024000 
1 1 1    7   18   24 o   12.930   1.6330 -0.3327000 3.266000 
1 1 1    7   19    0 o   8.3580   2.9490 -0.000000 0.000000 
1 1 1    7   19    1 o   27.260   0.8572 3.418000 1.714000 
1 1 1    7   19    2 o   25.790   0.9020 -0.1355000 1.804000 
1 1 1    7   19    3 o   9.4010   2.0930 1.290000 4.187000 
1 1 1    7   19    4 o   15.190   1.5700 6.531000 3.139000 
1 1 1    7   19    5 o   18.370   1.2490 0.7042000 2.498000 
1 1 1    7   19    6 o   7.0200   2.0050 -0.8394000 4.011000 
1 1 1    7   19    7 o   8.7730   2.0370 3.907000 4.074000 
1 1 1    7   19    8 f   20.110   1.1610 -1.792000 2.321000 
1 1 1    7   19    9 o   12.100   1.8380 7.867000 3.676000 
1 1 1    7   19   10 o   12.240   1.9230 0.7365000 3.846000 
1 1 1    7   19   11 o   20.030   1.1890 -1.251000 2.377000 
1 1 1    7   19   12 o   10.230   2.1140 -0.3937000 4.228000 
1 1 1    7   19   13 o   13.430   1.7600 1.674000 3.520000 
1 1 1    7   19   14 o   8.9570   2.1240 -1.300000 4.248000 
1 1 1    7   19   15 o   8.6040   2.1100 -1.759000 4.221000 
1 1 1    7   19   16 o   7.9010   2.0730 1.359000 4.147000 
1 1 1    7   19   17 o   6.2700   1.8870 1.896000 3.775000 
1 1 1    7   19   18 o   10.390   1.8670 -6.480000 3.735000 
1 1 1    7   19   19 o   8.0980   2.0190 3.097000 4.039000 
1 1 1    7   19   20 o   6.6950   1.9250 -2.361000 3.851000 
1 1 1    7   19   21 o   7.8260   1.9330 3.995000 3.866000 
1 1 1    7   19   22 o   7.7660   1.9830 2.551000 3.965000 
1 1 1    7   19   23 o   7.4670   1.9920 -1.208000 3.984000 
1 1 1    7   20    0 o   18.910   1.7890 -0.000000 0.000000 
1 1 1    7   20    1 o   9.2620   1.8950 6.193000 3.791000 
1 1 1    7   20    2 o   9.7200   1.9600 -5.972000 3.920000 
1 1 1    7   20    3 o   22.450   1.0770 1.794000 2.154000 
1 1 1    7   20    4 o   10.250   1.8880 -7.363000 3.777000 
1 1 1    7   20    5 o   13.280   1.8740 -0.6583000 3.747000 
1 1 1    7   20    6 o   26.060   0.9665 2.365000 1.933000 
1 1 1    7   20    7 o   10.050   2.1360 2.695000 4.272000 
1 1 1    7   20    8 o   9.2220   2.1930 0.9786000 4.387000 
1 1 1    7   20    9 o   10.120   2.0840 -3.869000 4.168000 
1 1 1    7   20   10 o   17.740   1.3850 1.997000 2.770000 
1 1 1    7   20   11 o   8.1380   2.1180 2.021000 4.236000 
1 1 1    7   20   12 o   20.090   1.2120 1.368000 2.424000 
1 1 1    7   20   13 o   6.2990   1.9270 1.815000 3.854000 
1 1 1    7   20   14 o   10.930   1.9930 4.168000 3.987000 
1 1 1    7   20   15 f   10.400   2.0250 0.2240000 4.050000 
1 1 1    7   20   16 o   9.3120   2.0820 1.482000 4.163000 
1 1 1    7   20   17 o   7.8760   2.0770 -0.9734000 4.155000 
1 1 1    7   20   18 f   8.4050   2.0850 1.062000 4.170000 
1 1 1    7   20   19 o   7.4490   2.0090 2.130000 4.018000 
1 1 1    7   20   20 o   7.3000   2.0160 -0.5369000 4.031000 
1 1 1    7   20   21 o   6.3290   1.8550 -2.462000 3.709000 
1 1 1    7   21    0 o   7.3260   2.9690 -0.000000 0.000000 
1 1 1    7   21    1 o   11.980   1.9520 -6.280000 3.904000 
1 1 1    7   21    2 o   8.3050   2.1810 1.571000 4.362000 
1 1 1    7   21    3 o   7.4090   2.1200 -0.4305000 4.240000 
1 1 1    7   21    4 o   14.190   1.8180 0.1250000 3.636000 
1 1 1    7   21    5 o   19.910   1.3020 3.683000 2.605000 
1 1 1    7   21    6 o   13.760   1.8620 2.695000 3.725000 
1 1 1    7   21    7 o   7.0840   2.0840 -0.4214000 4.168000 
1 1 1    7   21    8 o   8.7550   2.2140 1.249000 4.428000 
1 1 1    7   21    9 o   16.530   1.5610 2.416000 3.121000 
1 1 1    7   21   10 o   6.8550   2.0500 0.1013000 4.100000 
1 1 1    7   21   11 o   6.4250   1.9460 1.814000 3.891000 
1 1 1    7   21   12 o   12.610   1.8930 3.985000 3.785000 
1 1 1    7   21   13 o   7.2560   2.0060 3.162000 4.012000 
1 1 1    7   21   14 o   12.280   1.9040 0.2800000 3.808000 
1 1 1    7   21   15 o   7.7820   2.0820 -1.357000 4.164000 
1 1 1    7   21   16 o   9.7510   2.0410 -2.449000 4.081000 
1 1 1    7   21   17 o   7.7960   1.7680 6.724000 3.536000 
1 1 1    7   21   18 o   6.6390   1.9110 2.425000 3.821000 
1 1 1    7   21   19 o   7.1240   1.9280 3.016000 3.856000 
1 1 1    7   22    0 o   12.320   2.9340 -0.000000 0.000000 
1 1 1    7   22    1 o   13.860   1.8780 -1.389000 3.757000 
1 1 1    7   22    2 o   11.640   2.0960 3.440000 4.191000 
1 1 1    7   22    3 o   10.160   2.2340 -0.1132000 4.469000 
1 1 1    7   22    4 o   12.820   2.0040 3.132000 4.008000 
1 1 1    7   22    5 o   7.2210   2.1100 1.008000 4.219000 
1 1 1    7   22    6 o   9.3830   1.9950 6.214000 3.989000 
1 1 1    7   22    7 o   11.650   2.0490 -4.129000 4.099000 
1 1 1    7   22    8 o   8.7200   1.9700 6.128000 3.941000 
1 1 1    7   22    9 o   6.9240   2.0510 0.5539000 4.103000 
1 1 1    7   22   10 o   10.680   2.1230 -2.006000 4.245000 
1 1 1    7   22   11 o   7.5940   2.0100 -3.856000 4.020000 
1 1 1    7   22   12 o   7.4070   2.0600 -1.538000 4.120000 
1 1 1    7   22   13 o   6.2490   1.9190 1.114000 3.838000 
1 1 1    7   22   14 o   6.5980   1.9540 -0.3438000 3.908000 
1 1 1    7   22   15 o   7.5200   2.0010 1.946000 4.002000 
1 1 1    7   22   16 o   7.9980   1.8440 -5.358000 3.689000 
1 1 1    7   22   17 o   10.850   2.6730 -1.432000 5.345000 
1 1 1    7   23    0 o   7.3910   3.1600 -0.000000 0.000000 
1 1 1    7   23    1 o   8.7990   2.0120 5.675000 4.025000 
1 1 1    7   23    2 o   10.160   2.1740 -2.751000 4.348000 
1 1 1    7   23    3 o   6.6970   2.0020 2.441000 4.004000 
1 1 1    7   23    4 o   8.3390   2.0780 4.131000 4.155000 
1 1 1    7   23    5 o   11.860   2.0530 2.029000 4.106000 
1 1 1    7   23    6 o   11.590   2.0770 -0.7528000 4.153000 
1 1 1    7   23    7 o   8.1990   2.0690 3.673000 4.139000 
1 1 1    7   23    8 o   9.2720   2.1530 -2.502000 4.305000 
1 1 1    7   23    9 o   5.3060   1.7550 0.8472000 3.511000 
1 1 1    7   23   10 o   8.6380   2.1200 2.281000 4.241000 
1 1 1    7   23   11 o   8.5470   2.0910 1.049000 4.183000 
1 1 1    7   23   12 o   7.4150   2.0220 -1.138000 4.045000 
1 1 1    7   23   13 o   6.6270   1.9260 -0.3409000 3.851000 
1 1 1    7   23   14 o   7.0270   3.3030      ?      ? 
1 1 1    7   24    0 o   7.8790   3.0790 -0.000000 0.000000 
1 1 1    7   24    1 o   6.7690   1.9310 4.498000 3.862000 
1 1 1    7   24    2 o   6.9840   2.0830 0.1928000 4.167000 
1 1 1    7   24    3 o   9.3020   2.1850 -3.060000 4.370000 
1 1 1    7   24    4 o   7.8890   2.0390 4.483000 4.077000 
1 1 1    7   24    5 o   8.1240   2.1670 1.475000 4.334000 
1 1 1    7   24    6 o   7.4110   2.1020 -0.3578000 4.204000 
1 1 1    7   24    7 o   7.8930   2.1090 -0.8002000 4.219000 
1 1 1    7   24    8 o   10.890   1.8720 6.138000 3.745000 
1 1 1    7   24    9 o   8.7730   1.8730 -5.725000 3.746000 
1 1 1    8    0    1 o   19.490   0.2815 -0.000000 0.000000 
1 1 1    8    0    2 o   48.620   0.5123 -0.000000 0.000000 
1 1 1    8    0    3 f   18.980   0.2806 -0.000000 0.000000 
1 1 1    8    0    4 o   27.750   0.3561 -0.000000 0.000000 
1 1 1    8    0    5 o  226.700   3.3610 -0.000000 0.000000 
1 1 1    8    0    6 o   65.860   0.8037 -0.000000 0.000000 
1 1 1    8    0    7 o   10.070   0.2770 -0.000000 0.000000 
1 1 1    8    0    8 o   3.7110   1.5350 -0.000000 0.000000 
1 1 1    8    0    9 o   40.390   0.8925 -0.000000 0.000000 
1 1 1    8    0   10 o  142.400   2.9710 -0.000000 0.000000 
1 1 1    8    0   11 o   50.710   1.0930 -0.000000 0.000000 
1 1 1    8    0   12 o   64.550   0.8247 -0.000000 0.000000 
1 1 1    8    0   13 o  152.500   1.8990 -0.000000 0.000000 
1 1 1    8    0   14 o   5.0960   0.7601 -0.000000 0.000000 
1 1 1    8    0   15 o   15.990   0.4226 -0.000000 0.000000 
1 1 1    8    0   16 o   14.520   0.4670 -0.000000 0.000000 
1 1 1    8    0   17 o   49.970   0.7671 -0.000000 0.000000 
1 1 1    8    0   18 o   44.760   0.7015 -0.000000 0.000000 
1 1 1    8    0   19 o   32.010   0.5561 -0.000000 0.000000 
1 1 1    8    0   20 o   7.9490   1.0560 -0.000000 0.000000 
1 1 1    8    0   21 o   22.140   0.5521 -0.000000 0.000000 
1 1 1    8    0   22 o   7.4200   1.3740 -0.000000 0.000000 
1 1 1    8    0   23 o   10.560   1.0300 -0.000000 0.000000 
1 1 1    8    0   25 o   27.140   0.6405 -0.000000 0.000000 
1 1 1    8    0   26 o   18.430   0.7906 -0.000000 0.000000 
1 1 1    8    0   27 f   35.430   0.6998 -0.000000 0.000000 
1 1 1    8    0   28 o   18.670   0.9191 -0.000000 0.000000 
1 1 1    8    0   29 o   10.170   1.7260 -0.000000 0.000000 
1 1 1    8    0   30 o   15.800   1.1840 -0.000000 0.000000 
1 1 1    8    0   31 o   20.190   0.9869 -0.000000 0.000000 
1 1 1    8    0   32 o   23.990   0.8965 -0.000000 0.000000 
1 1 1    8    0   33 o   17.210   1.1440 -0.000000 0.000000 
1 1 1    8    0   34 o   8.8710   1.7110 -0.000000 0.000000 
1 1 1    8    0   35 o   10.420   1.4410 -0.000000 0.000000 
1 1 1    8    1    0 o  108.700   1.6020 -0.000000 0.000000 
1 1 1    8    1    1 o   95.170   0.9958 -15.80000 1.992000 
1 1 1    8    1    2 o  153.700   1.6010 3.661000 3.201000 
1 1 1    8    1    3 f   75.580   0.7903 2.812000 1.581000 
1 1 1    8    1    4 o  108.000   1.1260 0.5806000 2.252000 
1 1 1    8    1    5 o   76.550   0.8014 -1.310000 1.603000 
1 1 1    8    1    6 o   75.470   0.7201 3.074000 1.440000 
1 1 1    8    1    7 o   54.990   0.5320 0.1823000 1.064000 
1 1 1    8    1    8 o   56.160   0.5499 -4.129000 1.100000 
1 1 1    8    1    9 o   46.540   0.4106 -1.340000 0.8212000 
1 1 1    8    1   10 o  100.500   0.8710 5.008000 1.742000 
1 1 1    8    1   11 o   59.860   0.5890 0.2254000E-01 1.178000 
1 1 1    8    1   12 o   48.450   0.4829 -0.1972000E-02 0.9657000 
1 1 1    8    1   13 o   57.930   0.8752      ?      ? 
1 1 1    8    1   14 o   13.310   0.4154 0.2887000 0.8308000 
1 1 1    8    1   15 o   44.280   0.4909 -1.169000 0.9817000 
1 1 1    8    1   16 o   35.240   0.4913 1.881000 0.9825000 
1 1 1    8    1   17 o   16.680   0.6601      ?      ? 
1 1 1    8    1   18 o   29.010   0.4476 2.201000 0.8952000 
1 1 1    8    1   19 o   43.800   0.9682      ?      ? 
1 1 1    8    1   20 o   42.210   0.5887 -1.909000 1.177000 
1 1 1    8    1   21 o   12.130   0.6529 1.150000 1.306000 
1 1 1    8    1   22 o   47.590   0.5391 1.818000 1.078000 
1 1 1    8    1   23 o   10.370   0.7218 -2.755000 1.444000 
1 1 1    8    1   24 o   24.280   0.4083 -1.903000 0.8166000 
1 1 1    8    1   25 f   27.810   0.4181 2.990000 0.8362000 
1 1 1    8    1   26 o   44.780   0.6105      ?      ? 
1 1 1    8    1   27 o   12.570   0.7909 0.8587000 1.582000 
1 1 1    8    1   28 o   12.250   0.8607 -1.655000 1.721000 
1 1 1    8    1   29 o   40.050   0.4913 -2.409000 0.9827000 
1 1 1    8    1   30 o   14.150   0.8519 -1.048000 1.704000 
1 1 1    8    1   31 o   13.070   0.9460 -1.451000 1.892000 
1 1 1    8    1   32 o   7.2020   1.4750 1.871000 2.950000 
1 1 1    8    1   33 o   16.050   0.7674 -1.429000 1.535000 
1 1 1    8    1   34 o   4.4730   1.3710 -0.3066000E-01 2.742000 
1 1 1    8    1   35 o   10.020   1.2610 0.2740000 2.522000 
1 1 1    8    2    0 o  104.500   1.5430 -0.000000 0.000000 
1 1 1    8    2    1 o   41.720   0.4521 3.710000 0.9041000 
1 1 1    8    2    2 o   54.470   0.5782 -5.748000 1.156000 
1 1 1    8    2    3 f   60.490   0.5872 -4.658000 1.174000 
1 1 1    8    2    4 o   55.470   0.5892 1.150000 1.178000 
1 1 1    8    2    5 o   91.440   0.7830 -9.922000 1.566000 
1 1 1    8    2    6 o   55.280   0.5382 -0.9648000 1.076000 
1 1 1    8    2    7 o   73.190   0.6296 4.748000 1.259000 
1 1 1    8    2    8 o  105.900   0.9043 1.609000 1.809000 
1 1 1    8    2    9 o   64.660   0.5586 -1.027000 1.117000 
1 1 1    8    2   10 o   77.840   0.6691 2.874000 1.338000 
1 1 1    8    2   11 o   66.600   0.5765 -3.096000 1.153000 
1 1 1    8    2   12 o   26.050   0.2921 -3.753000 0.5842000 
1 1 1    8    2   13 o   56.140   0.4908 1.637000 0.9816000 
1 1 1    8    2   14 o   15.210   0.4619      ?      ? 
1 1 1    8    2   15 o   47.270   0.4718 1.165000 0.9435000 
1 1 1    8    2   16 o   31.400   0.3593 0.3985000 0.7187000 
1 1 1    8    2   17 o   35.090   0.4848      ?      ? 
1 1 1    8    2   18 o   22.230   0.3976 3.463000 0.7952000 
1 1 1    8    2   19 o   36.840   0.4103 -2.384000 0.8205000 
1 1 1    8    2   20 f   8.0480   1.0150 -2.973000 2.031000 
1 1 1    8    2   21 o   18.610   0.5032 0.9423000 1.006000 
1 1 1    8    2   22 o   55.940   0.8747      ?      ? 
1 1 1    8    2   23 o   46.310   0.6541 0.4970000 1.308000 
1 1 1    8    2   24 o   35.980   0.5778 0.2611000 1.156000 
1 1 1    8    2   25 o   36.360   0.5920 -0.5683000 1.184000 
1 1 1    8    2   26 o   24.960   0.6280 0.7500000 1.256000 
1 1 1    8    2   27 o   38.040   0.6253 -1.504000 1.251000 
1 1 1    8    2   28 o   15.780   0.8733 -0.6399000 1.747000 
1 1 1    8    2   29 o   11.420   1.2710 -0.4385000 2.542000 
1 1 1    8    2   30 o   5.8780   1.5170 -2.726000 3.034000 
1 1 1    8    2   31 o   10.460   1.3020 3.404000 2.605000 
1 1 1    8    2   32 o   14.150   0.9167 -1.112000 1.833000 
1 1 1    8    2   33 o   9.5660   1.3390 6.265000 2.678000 
1 1 1    8    2   34 o   11.420   1.1040 -1.900000 2.208000 
1 1 1    8    2   35 f   6.9630   1.5630 1.131000 3.126000 
1 1 1    8    3    0 o   30.810   0.3755 -0.000000 0.000000 
1 1 1    8    3    1 o   85.540   0.6812 -9.023000 1.362000 
1 1 1    8    3    2 o  103.800   0.8857 0.5083000 1.771000 
1 1 1    8    3    3 o  123.200   1.0500 1.407000 2.100000 
1 1 1    8    3    4 o   94.140   0.8049 3.819000 1.610000 
1 1 1    8    3    5 o  122.700   1.0460 5.345000 2.091000 
1 1 1    8    3    6 o   89.170   0.7647 -8.707000 1.529000 
1 1 1    8    3    7 o   58.860   0.5136 0.7865000 1.027000 
1 1 1    8    3    8 o  123.500   1.0540 3.786000 2.108000 
1 1 1    8    3    9 o   89.730   0.7696 0.7106000 1.539000 
1 1 1    8    3   10 f   70.700   0.6116 1.128000 1.223000 
1 1 1    8    3   11 o   76.230   0.6576 0.5001000 1.315000 
1 1 1    8    3   12 o   44.350   0.4081 -0.4163000 0.8162000 
1 1 1    8    3   13 o   33.230   0.3776 3.914000 0.7552000 
1 1 1    8    3   14 o   40.760   0.3832 -4.175000 0.7664000 
1 1 1    8    3   15 o   23.470   0.3213 -2.467000 0.6426000 
1 1 1    8    3   16 o   18.220   0.3979 0.1567000 0.7958000 
1 1 1    8    3   17 o   33.760   0.4242 -0.2504000 0.8484000 
1 1 1    8    3   18 o   17.160   0.4785 0.1965000 0.9569000 
1 1 1    8    3   19 o   51.790   0.5238 -0.7503000 1.048000 
1 1 1    8    3   20 f   30.770   0.4042 2.478000 0.8084000 
1 1 1    8    3   21 o   52.710   0.5403 -1.751000 1.081000 
1 1 1    8    3   22 o   42.080   0.4702 3.086000 0.9404000 
1 1 1    8    3   23 o   43.820   0.5314 -0.2065000 1.063000 
1 1 1    8    3   24 o   64.390   0.6438 -0.5659000E-01 1.288000 
1 1 1    8    3   25 o   30.540   0.5189 -0.2977000 1.038000 
1 1 1    8    3   26 f   35.570   0.4886 1.399000 0.9771000 
1 1 1    8    3   27 o   28.920   0.5941 0.6389000 1.188000 
1 1 1    8    3   28 o   33.960   0.6727 -1.075000 1.345000 
1 1 1    8    3   29 f   9.0380   1.7730 1.191000 3.545000 
1 1 1    8    3   30 o   9.9560   1.7440 1.861000 3.488000 
1 1 1    8    3   31 o   8.9560   1.8150 -3.013000 3.629000 
1 1 1    8    3   32 o   14.510   1.3260 4.742000 2.653000 
1 1 1    8    3   33 o   17.220   1.0430 -5.454000 2.087000 
1 1 1    8    3   34 o   10.580   1.4300 -0.5284000 2.859000 
1 1 1    8    3   35 o   11.710   1.1360 -0.2895000 2.272000 
1 1 1    8    4    0 o   70.920   0.7523 -0.000000 0.000000 
1 1 1    8    4    1 o  213.000   1.5690 -9.591000 3.138000 
1 1 1    8    4    2 o  118.800   0.8789 9.192000 1.758000 
1 1 1    8    4    3 o   62.660   0.4748 4.204000 0.9496000 
1 1 1    8    4    4 o  101.500   0.8146 3.768000 1.629000 
1 1 1    8    4    5 o   75.910   0.6096 -7.837000 1.219000 
1 1 1    8    4    6 o   83.210   0.7162 -0.1083000 1.432000 
1 1 1    8    4    7 o   33.680   0.3523 1.635000 0.7046000 
1 1 1    8    4    8 o   18.910   0.3849 -1.983000 0.7699000 
1 1 1    8    4    9 o   98.800   0.8470 2.204000 1.694000 
1 1 1    8    4   10 o   65.430   0.5725 -1.189000 1.145000 
1 1 1    8    4   11 o   63.660   0.6218 -3.291000 1.244000 
1 1 1    8    4   12 o   72.360   0.6285 -2.603000 1.257000 
1 1 1    8    4   13 o   25.130   0.3518 1.082000 0.7037000 
1 1 1    8    4   14 o   93.710   0.8051 -2.202000 1.610000 
1 1 1    8    4   15 o   17.880   0.4056 -1.229000 0.8112000 
1 1 1    8    4   16 o   32.940   0.3599 -0.2113000 0.7197000 
1 1 1    8    4   17 o   34.130   0.3696 -2.747000 0.7391000 
1 1 1    8    4   18 o   46.270   0.4827 4.725000 0.9654000 
1 1 1    8    4   19 o   19.250   0.4836 0.7573000 0.9671000 
1 1 1    8    4   20 o   43.150   0.4706 2.810000 0.9411000 
1 1 1    8    4   21 o   28.340   0.4837 3.110000 0.9674000 
1 1 1    8    4   22 o   38.300   0.5030 3.188000 1.006000 
1 1 1    8    4   23 o   64.050   0.6423 -1.353000 1.285000 
1 1 1    8    4   24 f   38.260   0.5238 0.6444000 1.048000 
1 1 1    8    4   25 o   26.110   0.5181 0.8794000 1.036000 
1 1 1    8    4   26 f   21.770   0.6618 -1.002000 1.324000 
1 1 1    8    4   27 o   13.700   0.9881 0.7952000 1.976000 
1 1 1    8    4   28 f   13.720   1.0560 1.763000 2.112000 
1 1 1    8    4   29 o   15.030   1.1610 -3.182000 2.322000 
1 1 1    8    4   30 o   20.290   0.7681 -1.318000 1.536000 
1 1 1    8    4   31 o   20.730   0.7752 0.6939000 1.550000 
1 1 1    8    4   32 o   26.190   0.9799      ?      ? 
1 1 1    8    4   33 o   15.100   1.2420 -1.256000 2.485000 
1 1 1    8    4   34 o   9.1340   1.7610 3.812000 3.522000 
1 1 1    8    4   35 o   7.2280   1.8850 -2.552000 3.770000 
1 1 1    8    5    0 o   5.2790   1.5200 -0.000000 0.000000 
1 1 1    8    5    1 o  123.600   0.9153 12.50000 1.831000 
1 1 1    8    5    2 o   59.860   0.4602 -3.014000 0.9203000 
1 1 1    8    5    3 o   50.800   0.4018 0.8875000 0.8035000 
1 1 1    8    5    4 o   37.910   0.3353 -1.344000 0.6707000 
1 1 1    8    5    5 o   36.430   0.3823 -1.828000 0.7646000 
1 1 1    8    5    6 o   59.120   0.4981 8.510000 0.9961000 
1 1 1    8    5    7 o  135.900   1.0840 -2.791000 2.167000 
1 1 1    8    5    8 o  111.300   0.8912 -1.454000 1.782000 
1 1 1    8    5    9 o   61.130   0.5086 -0.3625000E-01 1.017000 
1 1 1    8    5   10 f   51.140   0.4440 3.439000 0.8881000 
1 1 1    8    5   11 o   65.990   0.5432 -1.388000 1.086000 
1 1 1    8    5   12 o   56.080   0.4726 -0.2670000 0.9453000 
1 1 1    8    5   13 o   24.410   0.3900 1.461000 0.7800000 
1 1 1    8    5   14 o   31.700   0.3757 -2.835000 0.7513000 
1 1 1    8    5   15 o   32.860   0.4605 3.987000 0.9210000 
1 1 1    8    5   16 o   24.330   0.3887 -2.132000 0.7774000 
1 1 1    8    5   17 o   20.760   0.4292 -0.3958000 0.8585000 
1 1 1    8    5   18 o   27.640   0.3931 1.449000 0.7862000 
1 1 1    8    5   19 o   9.4740   1.0290 -1.498000 2.058000 
1 1 1    8    5   20 o   45.180   0.4993 -1.556000 0.9986000 
1 1 1    8    5   21 o   5.2100   1.4380 -1.469000 2.877000 
1 1 1    8    5   22 o   24.070   0.5200 -3.075000 1.040000 
1 1 1    8    5   23 o   60.970   0.6816 -2.177000 1.363000 
1 1 1    8    5   24 o   47.740   0.5864 2.849000 1.173000 
1 1 1    8    5   25 o   20.620   0.6583 1.655000 1.317000 
1 1 1    8    5   26 o   19.280   0.7299 1.332000 1.460000 
1 1 1    8    5   27 o   33.510   0.5398 -1.824000 1.080000 
1 1 1    8    5   28 o   21.420   0.7390 1.802000 1.478000 
1 1 1    8    5   29 o   45.990   0.6196 -1.099000 1.239000 
1 1 1    8    5   30 o   15.230   1.0500 0.8502000 2.101000 
1 1 1    8    5   31 f   9.3950   1.6400 -4.168000 3.280000 
1 1 1    8    5   32 o   13.880   1.1900 0.6694000 2.380000 
1 1 1    8    5   33 o   6.5900   1.7420 -0.4325000 3.484000 
1 1 1    8    5   34 o   9.7390   1.6340 -2.264000 3.267000 
1 1 1    8    5   35 o   11.360   1.4120 2.584000 2.824000 
1 1 1    8    6    0 o   13.460   0.7303 -0.000000 0.000000 
1 1 1    8    6    1 o   45.780   0.3824 -2.476000 0.7647000 
1 1 1    8    6    2 f   54.350   0.4297 1.790000 0.8594000 
1 1 1    8    6    3 o   97.130   0.7238 -0.3899000 1.448000 
1 1 1    8    6    4 o   53.350   0.4245 0.8430000E-02 0.8491000 
1 1 1    8    6    5 o   66.970   0.5146 11.14000 1.029000 
1 1 1    8    6    6 o   66.330   0.5088 1.560000 1.018000 
1 1 1    8    6    7 o   29.340   0.3452 2.989000 0.6904000 
1 1 1    8    6    8 o  111.100   0.8248 -0.5297000 1.650000 
1 1 1    8    6    9 o   12.570   0.6806 -1.522000 1.361000 
1 1 1    8    6   10 f   46.400   0.4216 -0.3463000 0.8431000 
1 1 1    8    6   11 o   48.280   0.4296 -4.707000 0.8592000 
1 1 1    8    6   12 o   51.600   0.4491 -5.861000 0.8983000 
1 1 1    8    6   13 f   22.420   0.4284 4.794000 0.8569000 
1 1 1    8    6   14 o   36.560   0.3838 -0.2991000 0.7675000 
1 1 1    8    6   15 o   45.630   0.4212 4.556000 0.8423000 
1 1 1    8    6   16 o   53.850   0.4657 -1.649000 0.9313000 
1 1 1    8    6   17 o   29.320   0.3890 2.970000 0.7779000 
1 1 1    8    6   18 o   5.5400   1.3750 -0.9139000 2.750000 
1 1 1    8    6   19 o   48.120   0.4425 2.315000 0.8851000 
1 1 1    8    6   20 o   35.410   0.4062 2.559000 0.8124000 
1 1 1    8    6   21 o   21.920   0.5737 1.912000 1.147000 
1 1 1    8    6   22 o   28.810   0.5138 -3.065000 1.028000 
1 1 1    8    6   23 o   30.920   0.4699 -0.6459000E-01 0.9399000 
1 1 1    8    6   24 o   42.090   0.4745 -2.384000 0.9491000 
1 1 1    8    6   25 f   14.820   0.9739 -3.911000 1.948000 
1 1 1    8    6   26 o   10.890   1.2430 -2.478000 2.487000 
1 1 1    8    6   27 o   9.8230   1.4230 -4.152000 2.846000 
1 1 1    8    6   28 o   36.850   0.5146 0.9144000 1.029000 
1 1 1    8    6   29 o   35.810   0.5880 1.391000 1.176000 
1 1 1    8    6   30 o   18.990   0.8117 -1.339000 1.623000 
1 1 1    8    6   31 o   10.660   1.4690 5.133000 2.939000 
1 1 1    8    6   32 o   7.3110   1.5130 5.037000 3.026000 
1 1 1    8    6   33 o   19.430   0.7835 -2.587000 1.567000 
1 1 1    8    6   34 o   6.9270   1.6200 2.791000 3.240000 
1 1 1    8    7    0 o   29.080   0.5122 -0.000000 0.000000 
1 1 1    8    7    1 o   46.570   0.3952 4.487000 0.7903000 
1 1 1    8    7    2 o   9.8550   0.8165 -0.5709000 1.633000 
1 1 1    8    7    3 o  102.300   0.7629 0.7392000 1.526000 
1 1 1    8    7    4 o   68.080   0.5244 3.097000 1.049000 
1 1 1    8    7    5 o   73.500   0.5607 -4.450000 1.121000 
1 1 1    8    7    6 o   87.110   0.6549 2.748000 1.310000 
1 1 1    8    7    7 o   42.650   0.3812 -0.3934000E-01 0.7625000 
1 1 1    8    7    8 o   20.080   0.4455 0.3760000 0.8911000 
1 1 1    8    7    9 o   48.820   0.4102 2.091000 0.8204000 
1 1 1    8    7   10 o   34.040   0.3633 5.615000 0.7267000 
1 1 1    8    7   11 o   41.470   0.4092 0.6496000 0.8184000 
1 1 1    8    7   12 o   12.930   0.7603 -1.830000 1.521000 
1 1 1    8    7   13 o   8.0720   1.1430 7.095000 2.287000 
1 1 1    8    7   14 o   30.190   0.4671 4.314000 0.9341000 
1 1 1    8    7   15 o   6.1400   1.2380 -3.335000 2.476000 
1 1 1    8    7   16 o   9.2110   1.0980 5.425000 2.195000 
1 1 1    8    7   17 o   10.510   0.9575 0.8108000 1.915000 
1 1 1    8    7   18 o   52.650   0.4765 2.586000 0.9530000 
1 1 1    8    7   19 o   32.670   0.4334 2.503000 0.8668000 
1 1 1    8    7   20 o   53.230   0.5230 -8.246000 1.046000 
1 1 1    8    7   21 o   30.920   0.4540 1.902000 0.9080000 
1 1 1    8    7   22 o   28.770   0.4719 0.5314000 0.9438000 
1 1 1    8    7   23 o   26.180   0.6206 2.309000 1.241000 
1 1 1    8    7   24 o   57.640   0.5598 -0.3006000 1.120000 
1 1 1    8    7   25 o   43.760   0.5707 -0.9834000 1.141000 
1 1 1    8    7   26 o   11.150   1.3160 -1.751000 2.632000 
1 1 1    8    7   27 o   23.750   0.6705 -3.202000 1.341000 
1 1 1    8    7   28 o   24.340   0.6800 3.627000 1.360000 
1 1 1    8    7   29 o   6.0190   1.6920 -1.261000 3.384000 
1 1 1    8    7   30 o   8.4700   1.6670 3.213000 3.334000 
1 1 1    8    7   31 o   12.490   1.2940 -0.4098000 2.589000 
1 1 1    8    7   32 o   21.020   0.7501 -1.442000 1.500000 
1 1 1    8    7   33 o   10.660   1.4690 1.125000 2.938000 
1 1 1    8    7   34 o   9.5920   1.5000 3.880000 3.000000 
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1 1 1    8    8    1 o   11.000   0.8216 0.1513000E-01 1.643000 
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1 1 1    8    8    4 o   39.430   0.3831 -2.398000 0.7663000 
1 1 1    8    8    5 o   47.990   0.4139 7.964000 0.8277000 
1 1 1    8    8    6 o   56.190   0.4560 5.826000 0.9120000 
1 1 1    8    8    7 o   48.880   0.4177 -1.128000 0.8353000 
1 1 1    8    8    8 o   4.9720   1.2970 1.409000 2.594000 
1 1 1    8    8    9 o   21.430   0.4671 4.690000 0.9342000 
1 1 1    8    8   10 o   10.990   0.8878 -2.501000 1.776000 
1 1 1    8    8   11 o   28.480   0.4038 0.6071000E-01 0.8076000 
1 1 1    8    8   12 o   31.690   0.3973 -0.9143000 0.7946000 
1 1 1    8    8   13 o   36.210   0.4327 1.924000 0.8654000 
1 1 1    8    8   14 o   14.170   0.7553 1.433000 1.511000 
1 1 1    8    8   15 o   10.330   1.2290 0.4234000 2.458000 
1 1 1    8    8   16 o   36.630   0.4348 -5.052000 0.8697000 
1 1 1    8    8   17 o   12.870   0.9015 5.461000 1.803000 
1 1 1    8    8   18 o   58.980   0.5209 -1.521000 1.042000 
1 1 1    8    8   19 o   57.490   0.5156 0.4437000E-01 1.031000 
1 1 1    8    8   20 o   33.070   0.5353 0.3326000 1.071000 
1 1 1    8    8   21 o   50.450   0.4897 -0.6029000 0.9794000 
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1 1 1    8    8   23 o   45.770   0.4885 -2.045000 0.9770000 
1 1 1    8    8   24 o   21.700   0.7220 -1.839000 1.444000 
1 1 1    8    8   25 o   9.6960   1.6270 -0.3103000 3.254000 
1 1 1    8    8   26 o   11.800   1.4540 1.270000 2.909000 
1 1 1    8    8   27 o   40.370   0.5524 -1.491000 1.105000 
1 1 1    8    8   28 o   7.8970   1.7930 -2.252000 3.587000 
1 1 1    8    8   29 o   21.510   0.8144 -1.376000 1.629000 
1 1 1    8    8   30 o   27.060   0.6865 -1.040000 1.373000 
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1 1 1    8    8   32 o   12.790   1.3250 2.492000 2.650000 
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1 1 1    8    8   34 o   6.2610   1.6500 2.592000 3.301000 
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1 1 1    8    9    3 o   27.910   0.4232 0.4255000 0.8465000 
1 1 1    8    9    4 o   54.440   0.4544 2.390000 0.9087000 
1 1 1    8    9    5 o   60.450   0.4879 3.918000 0.9758000 
1 1 1    8    9    6 o   13.490   0.7746 2.236000 1.549000 
1 1 1    8    9    7 o   33.200   0.4490 5.069000 0.8979000 
1 1 1    8    9    8 f   46.990   0.4229 -1.423000 0.8458000 
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1 1 1    8    9   15 o   36.190   0.4510 -1.684000 0.9020000 
1 1 1    8    9   16 o   34.620   0.4573 2.265000 0.9147000 
1 1 1    8    9   17 o   11.680   1.0810 3.128000 2.163000 
1 1 1    8    9   18 o   5.9040   1.5480 -0.5544000 3.096000 
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1 1 1    8    9   24 o   26.860   0.7159 1.217000 1.432000 
1 1 1    8    9   25 o   11.640   1.4500 3.427000 2.900000 
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1 1 1    8    9   29 o   15.300   1.2270 1.249000 2.454000 
1 1 1    8    9   30 o   18.820   0.9709 1.787000 1.942000 
1 1 1    8    9   31 o   6.1670   1.7470 1.898000 3.493000 
1 1 1    8    9   32 o   11.090   1.6000 3.039000 3.200000 
1 1 1    8    9   33 o   6.0780   1.7190 0.8360000 3.437000 
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1 1 1    8   10    2 o   30.800   0.4391 3.418000 0.8783000 
1 1 1    8   10    3 o   66.470   0.5302 -3.320000 1.060000 
1 1 1    8   10    4 o   18.380   0.6626 7.005000 1.325000 
1 1 1    8   10    5 o   34.180   0.4260 0.2176000 0.8521000 
1 1 1    8   10    6 o   22.460   0.5300 -0.2471000 1.060000 
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1 1 1    8   10   17 o   35.880   0.4881 2.296000 0.9763000 
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1 1 1    8   10   21 o   6.0010   1.6480 -2.260000 3.295000 
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1 1 1    8   10   26 o   20.080   0.9438 -3.457000 1.888000 
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1 1 1    8   10   28 o   8.8700   1.9090 2.685000 3.817000 
1 1 1    8   10   29 o   19.180   1.0550 1.420000 2.110000 
1 1 1    8   10   30 o   9.6370   1.9120 1.160000 3.824000 
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1 1 1    8   10   32 f   10.260   1.7590 0.7151000 3.519000 
1 1 1    8   11    0 f   21.720   0.8019 -0.000000 0.000000 
1 1 1    8   11    1 o   49.070   0.4498 1.068000 0.8995000 
1 1 1    8   11    2 o   24.190   0.5317 -0.8051000 1.063000 
1 1 1    8   11    3 o   30.480   0.4605 1.718000 0.9210000 
1 1 1    8   11    4 f   59.310   0.4966 -2.674000 0.9932000 
1 1 1    8   11    5 o   10.150   1.2680 4.712000 2.536000 
1 1 1    8   11    6 o   17.510   0.7187 0.6365000 1.437000 
1 1 1    8   11    7 o   17.210   0.7314 -1.898000 1.463000 
1 1 1    8   11    8 o   60.680   0.5044 -0.4387000E-01 1.009000 
1 1 1    8   11    9 o   31.160   0.5067 0.8852000 1.013000 
1 1 1    8   11   10 o   24.040   0.5486 -2.637000 1.097000 
1 1 1    8   11   11 o   26.000   0.5245 0.4408000 1.049000 
1 1 1    8   11   12 o   33.730   0.4857 1.029000 0.9715000 
1 1 1    8   11   13 o   39.170   0.4827 1.258000 0.9653000 
1 1 1    8   11   14 o   11.060   1.3450 -5.550000 2.689000 
1 1 1    8   11   15 o   9.0310   1.4160 -3.813000 2.831000 
1 1 1    8   11   16 o   43.720   0.4598 0.7735000 0.9195000 
1 1 1    8   11   17 o   43.030   0.4698 2.606000 0.9396000 
1 1 1    8   11   18 o   11.540   1.5890 1.088000 3.179000 
1 1 1    8   11   19 o   32.470   0.5768 -3.091000 1.154000 
1 1 1    8   11   20 o   25.920   0.6757 1.515000 1.351000 
1 1 1    8   11   21 o   21.570   0.8188 -1.825000 1.638000 
1 1 1    8   11   22 o   9.6980   1.9070 2.055000 3.815000 
1 1 1    8   11   23 o   26.610   0.7189 3.639000 1.438000 
1 1 1    8   11   24 o   16.990   1.1180 -0.1022000 2.236000 
1 1 1    8   11   25 o   16.090   1.2520 -2.642000 2.504000 
1 1 1    8   11   26 o   8.9280   1.9460 0.2473000 3.892000 
1 1 1    8   11   27 o   7.1060   2.0380 0.3983000 4.076000 
1 1 1    8   11   28 o   11.100   1.8670 0.4438000 3.733000 
1 1 1    8   11   29 o   8.3470   1.8670 -4.695000 3.734000 
1 1 1    8   11   30 f   7.0370   1.9050 -2.169000 3.811000 
1 1 1    8   11   31 o   9.9420   1.7170 6.046000 3.435000 
1 1 1    8   11   32 o   11.890   1.6400 -6.052000 3.280000 
1 1 1    8   12    0 o   29.250   0.7092 -0.000000 0.000000 
1 1 1    8   12    1 o   25.780   0.5408 2.252000 1.082000 
1 1 1    8   12    2 o   21.240   0.6225 -0.1749000E-01 1.245000 
1 1 1    8   12    3 o   21.900   0.6067 1.330000 1.213000 
1 1 1    8   12    4 o   31.780   0.5239 -2.026000 1.048000 
1 1 1    8   12    5 o   32.860   0.4779 -2.721000 0.9557000 
1 1 1    8   12    6 o   47.020   0.4623 -4.516000 0.9246000 
1 1 1    8   12    7 o   16.570   0.8089 -1.246000 1.618000 
1 1 1    8   12    8 o   32.650   0.4813 0.7859000 0.9625000 
1 1 1    8   12    9 o   23.190   0.6127 -1.580000 1.225000 
1 1 1    8   12   10 o   18.530   0.7378 -1.288000 1.476000 
1 1 1    8   12   11 o   36.240   0.4741 2.218000 0.9482000 
1 1 1    8   12   12 f   35.020   0.4854 2.812000 0.9709000 
1 1 1    8   12   13 o   9.7300   1.3440 -8.162000 2.687000 
1 1 1    8   12   14 o   33.010   0.4975 0.9885000 0.9951000 
1 1 1    8   12   15 o   21.760   0.6861 -0.1459000E-02 1.372000 
1 1 1    8   12   16 o   11.040   1.3970 -0.2600000 2.793000 
1 1 1    8   12   17 o   35.100   0.5634 0.1853000 1.127000 
1 1 1    8   12   18 o   38.400   0.5174 -3.573000 1.035000 
1 1 1    8   12   19 o   23.980   0.7025 1.636000 1.405000 
1 1 1    8   12   20 o   33.640   0.6116 1.586000 1.223000 
1 1 1    8   12   21 o   30.550   0.6682 1.090000 1.336000 
1 1 1    8   12   22 o   28.920   0.7673 2.925000 1.535000 
1 1 1    8   12   23 o   8.5220   1.8940 3.839000 3.788000 
1 1 1    8   12   24 o   25.350   0.9787 -0.4343000 1.957000 
1 1 1    8   12   25 o   7.6190   1.9860 0.5449000 3.972000 
1 1 1    8   12   26 o   23.900   0.8913 -1.029000 1.783000 
1 1 1    8   12   27 o   6.3910   1.8660 2.406000 3.733000 
1 1 1    8   12   28 o   10.970   1.8480 1.545000 3.696000 
1 1 1    8   12   29 o   11.640   1.7620 -0.4636000 3.524000 
1 1 1    8   12   30 o   9.2330   1.9880 0.4696000E-01 3.975000 
1 1 1    8   12   31 o   8.0300   1.8580 -3.701000 3.716000 
1 1 1    8   13    0 o   42.780   0.6706 -0.000000 0.000000 
1 1 1    8   13    1 o   27.980   0.5498 -0.9485000 1.100000 
1 1 1    8   13    2 o   22.900   0.6461 -0.1910000 1.292000 
1 1 1    8   13    3 o   32.980   0.5087 -2.033000 1.017000 
1 1 1    8   13    4 o   14.840   0.9332 1.098000 1.866000 
1 1 1    8   13    5 o   26.760   0.5637 -0.1041000 1.127000 
1 1 1    8   13    6 o   63.040   0.5323 0.9041000 1.065000 
1 1 1    8   13    7 o   50.520   0.4934 -1.262000 0.9867000 
1 1 1    8   13    8 o   48.430   0.4863 1.688000 0.9726000 
1 1 1    8   13    9 o   40.190   0.4873 -0.3675000 0.9747000 
1 1 1    8   13   10 o   17.680   0.8708 5.031000 1.742000 
1 1 1    8   13   11 o   23.570   0.6587 2.510000 1.317000 
1 1 1    8   13   12 o   48.830   0.4893 -2.429000 0.9785000 
1 1 1    8   13   13 o   14.360   1.0840 3.361000 2.168000 
1 1 1    8   13   14 o   32.710   0.5375 -0.9392000 1.075000 
1 1 1    8   13   15 o   8.4560   1.8120 -0.3144000 3.624000 
1 1 1    8   13   16 o   30.470   0.5863 -1.816000 1.173000 
1 1 1    8   13   17 o   16.320   1.1930 6.321000 2.386000 
1 1 1    8   13   18 o   32.900   0.5878 0.3663000 1.176000 
1 1 1    8   13   19 o   9.2450   1.7300 3.603000 3.461000 
1 1 1    8   13   20 o   11.580   1.7010 -0.6220000E-02 3.402000 
1 1 1    8   13   21 o   29.770   0.7229 1.592000 1.446000 
1 1 1    8   13   22 o   21.990   0.9732 -2.580000 1.946000 
1 1 1    8   13   23 o   28.250   0.8085 -1.986000 1.617000 
1 1 1    8   13   24 o   15.750   1.4370 5.557000 2.873000 
1 1 1    8   13   25 o   9.1770   1.9240 -3.977000 3.848000 
1 1 1    8   13   26 o   7.5880   1.8990 4.820000 3.797000 
1 1 1    8   13   27 o   11.240   1.8550 -2.351000 3.710000 
1 1 1    8   13   28 o   6.2250   1.8480 2.257000 3.697000 
1 1 1    8   13   29 o   10.960   1.8000 -2.015000 3.601000 
1 1 1    8   13   30 o   9.7800   1.7700 -5.012000 3.541000 
1 1 1    8   14    0 o   33.850   0.7578 -0.000000 0.000000 
1 1 1    8   14    1 o   16.780   0.9310 -0.5405000 1.862000 
1 1 1    8   14    2 o   20.120   0.7803 0.3310000 1.561000 
1 1 1    8   14    3 o   20.120   0.7868 -1.096000 1.574000 
1 1 1    8   14    4 o   25.100   0.6536 1.130000 1.307000 
1 1 1    8   14    5 o   20.910   0.7726 0.8336000 1.545000 
1 1 1    8   14    6 o   30.890   0.5692 -0.7373000 1.138000 
1 1 1    8   14    7 o   36.200   0.5278 0.7364000 1.056000 
1 1 1    8   14    8 o   20.420   0.9198 -1.544000 1.840000 
1 1 1    8   14    9 o   30.490   0.5893 1.595000 1.179000 
1 1 1    8   14   10 o   42.030   0.5106 3.288000 1.021000 
1 1 1    8   14   11 o   38.560   0.5690 1.669000 1.138000 
1 1 1    8   14   12 o   28.620   0.6112 0.4998000 1.222000 
1 1 1    8   14   13 o   21.710   0.7781 -2.705000 1.556000 
1 1 1    8   14   14 o   21.750   0.8673 -4.186000 1.735000 
1 1 1    8   14   15 o   34.030   0.5797 -2.614000 1.159000 
1 1 1    8   14   16 f   26.080   0.7081 2.548000 1.416000 
1 1 1    8   14   17 o   19.250   0.9511 3.058000 1.902000 
1 1 1    8   14   18 o   33.190   0.6175 -1.001000 1.235000 
1 1 1    8   14   19 o   21.190   1.1190 1.717000 2.238000 
1 1 1    8   14   20 o   21.650   0.9175 1.201000 1.835000 
1 1 1    8   14   21 f   8.6610   1.9780 0.4276000 3.957000 
1 1 1    8   14   22 o   18.270   1.2450 4.466000 2.491000 
1 1 1    8   14   23 o   16.740   1.3450 3.957000 2.690000 
1 1 1    8   14   24 o   16.720   1.3470 2.542000 2.695000 
1 1 1    8   14   25 o   8.7030   2.0890 0.8017000E-01 4.178000 
1 1 1    8   14   26 o   11.440   1.9040 -1.184000 3.808000 
1 1 1    8   14   27 o   12.470   1.7340 2.958000 3.469000 
1 1 1    8   14   28 o   7.5660   1.9360 -2.318000 3.872000 
1 1 1    8   14   29 o   9.8590   1.8040 5.395000 3.607000 
1 1 1    8   15    0 o   33.820   0.8211 -0.000000 0.000000 
1 1 1    8   15    1 o   60.560   0.5490 -1.394000 1.098000 
1 1 1    8   15    2 o   16.410   1.0630 -4.491000 2.127000 
1 1 1    8   15    3 o   15.100   1.1210 1.111000 2.242000 
1 1 1    8   15    4 o   21.380   0.8216 -0.5963000 1.643000 
1 1 1    8   15    5 o   20.810   0.8379 0.4400000 1.676000 
1 1 1    8   15    6 o   10.310   1.6450 -1.877000 3.289000 
1 1 1    8   15    7 o   17.370   1.0170 -4.837000 2.035000 
1 1 1    8   15    8 o   12.020   1.5230 3.737000 3.046000 
1 1 1    8   15    9 o   21.460   0.8348 0.9473000 1.670000 
1 1 1    8   15   10 o   32.310   0.6075 0.5276000 1.215000 
1 1 1    8   15   11 o   24.760   0.7450 -1.132000 1.490000 
1 1 1    8   15   12 o   18.850   1.0200 0.5979000 2.039000 
1 1 1    8   15   13 o   16.110   1.3610 -2.057000 2.722000 
1 1 1    8   15   14 o   21.450   0.8698 0.7859000 1.740000 
1 1 1    8   15   15 o   16.160   1.2920 -0.5133000 2.583000 
1 1 1    8   15   16 o   37.730   0.5899 -1.055000 1.180000 
1 1 1    8   15   17 o   24.520   0.8135 -1.207000 1.627000 
1 1 1    8   15   18 o   31.980   0.6713 0.2187000 1.343000 
1 1 1    8   15   19 o   9.7760   1.8680 3.986000 3.735000 
1 1 1    8   15   20 o   28.030   0.7793 -0.2378000 1.559000 
1 1 1    8   15   21 o   24.330   0.8934 1.878000 1.787000 
1 1 1    8   15   22 o   15.270   1.4390 1.984000 2.877000 
1 1 1    8   15   23 o   8.8190   2.1260 0.9835000 4.252000 
1 1 1    8   15   24 o   12.790   1.8060 4.359000 3.613000 
1 1 1    8   15   25 o   7.1430   1.9760 3.334000 3.951000 
1 1 1    8   15   26 o   9.4690   2.0760 -0.5957000 4.151000 
1 1 1    8   15   27 o   6.9260   1.9570 -1.017000 3.915000 
1 1 1    8   15   28 o   7.0080   1.9640 0.9335000 3.928000 
1 1 1    8   16    0 o   19.270   1.3300 -0.000000 0.000000 
1 1 1    8   16    1 o   33.560   0.6002 -0.5778000 1.200000 
1 1 1    8   16    2 o   8.5060   1.8560 1.312000 3.712000 
1 1 1    8   16    3 o   28.870   0.6684 -0.3735000 1.337000 
1 1 1    8   16    4 o   43.940   0.5445 0.4512000 1.089000 
1 1 1    8   16    5 o   36.330   0.5834 2.124000 1.167000 
1 1 1    8   16    6 o   15.450   1.2230 0.9456000 2.446000 
1 1 1    8   16    7 o   27.120   0.7191 0.2709000 1.438000 
1 1 1    8   16    8 o   25.470   0.8342 0.3403000 1.668000 
1 1 1    8   16    9 o   14.800   1.3460 4.203000 2.692000 
1 1 1    8   16   10 o   29.440   0.6895 0.5030000 1.379000 
1 1 1    8   16   11 o   21.160   0.9194 -1.856000 1.839000 
1 1 1    8   16   12 o   42.940   0.5695 0.1118000E-01 1.139000 
1 1 1    8   16   13 o   19.980   0.9882 0.2390000 1.976000 
1 1 1    8   16   14 o   16.270   1.2020 0.8146000 2.404000 
1 1 1    8   16   15 o   9.1210   1.9650 -0.6839000 3.930000 
1 1 1    8   16   16 o   12.880   1.6460 3.718000 3.292000 
1 1 1    8   16   17 f   30.200   0.7305 0.9473000 1.461000 
1 1 1    8   16   18 o   11.980   1.7840 -0.2836000 3.568000 
1 1 1    8   16   19 o   25.190   0.8806 -1.863000 1.761000 
1 1 1    8   16   20 o   15.040   1.4670 3.026000 2.933000 
1 1 1    8   16   21 o   10.400   1.9820 -2.509000 3.965000 
1 1 1    8   16   22 f   7.4910   2.0310 -0.1317000 4.063000 
1 1 1    8   16   23 o   13.590   1.6120 0.6926000 3.223000 
1 1 1    8   16   24 o   23.770   0.9287 -0.3925000 1.857000 
1 1 1    8   16   25 o   13.460   1.7220 -0.3359000 3.445000 
1 1 1    8   16   26 o   9.3700   1.9120 5.997000 3.824000 
1 1 1    8   16   27 o   5.8480   1.8190 0.7102000E-01 3.637000 
1 1 1    8   17    0 o   42.840   0.8033 -0.000000 0.000000 
1 1 1    8   17    1 o   24.800   0.8057 2.489000 1.611000 
1 1 1    8   17    2 o   19.510   0.9908 2.638000 1.982000 
1 1 1    8   17    3 o   11.900   1.6680 -1.857000 3.335000 
1 1 1    8   17    4 o   11.700   1.6990 -3.202000 3.399000 
1 1 1    8   17    5 o   25.150   0.7933 -1.290000 1.587000 
1 1 1    8   17    6 o   12.000   1.7750 3.919000 3.550000 
1 1 1    8   17    7 o   22.790   0.9842 0.1620000 1.968000 
1 1 1    8   17    8 o   24.210   0.8634 -1.052000 1.727000 
1 1 1    8   17    9 o   41.980   0.5992 1.797000 1.198000 
1 1 1    8   17   10 o   38.560   0.6257 -0.2397000 1.251000 
1 1 1    8   17   11 o   11.290   1.7990 -0.2821000 3.598000 
1 1 1    8   17   12 o   14.100   1.4900 1.172000 2.981000 
1 1 1    8   17   13 o   24.290   0.8793 0.7111000 1.759000 
1 1 1    8   17   14 o   6.1170   1.8490 -1.234000 3.698000 
1 1 1    8   17   15 o   21.750   0.9874 -0.5226000 1.975000 
1 1 1    8   17   16 o   8.5950   2.0190 2.440000 4.038000 
1 1 1    8   17   17 o   7.4690   1.9920 -2.323000 3.983000 
1 1 1    8   17   18 o   19.990   1.1120 0.9294000 2.225000 
1 1 1    8   17   19 o   10.260   2.0310 -0.1537000 4.061000 
1 1 1    8   17   20 o   15.730   1.5330 6.964000 3.065000 
1 1 1    8   17   21 o   15.140   1.4750 1.056000 2.950000 
1 1 1    8   17   22 f   5.6120   1.7640 -2.243000 3.528000 
1 1 1    8   17   23 o   7.9140   2.0350 -1.252000 4.069000 
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1 1 1    8   17   25 o   8.3990   2.0160 -0.1959000 4.031000 
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1 1 1    8   18    0 o   50.150   0.8198 -0.000000 0.000000 
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1 1 1    8   18    2 o   11.840   1.9080 2.675000 3.815000 
1 1 1    8   18    3 o   13.190   1.6470 3.844000 3.293000 
1 1 1    8   18    4 o   20.610   1.0380 -3.092000 2.076000 
1 1 1    8   18    5 o   7.3050   1.9130 -3.501000 3.826000 
1 1 1    8   18    6 o   19.300   1.1170 0.2293000 2.235000 
1 1 1    8   18    7 o   17.740   1.2590 -4.333000 2.518000 
1 1 1    8   18    8 o   16.710   1.3340 2.325000 2.668000 
1 1 1    8   18    9 o   9.4440   1.9120 5.176000 3.824000 
1 1 1    8   18   10 o   15.330   1.4730 1.061000 2.947000 
1 1 1    8   18   11 o   12.220   1.8300 1.705000 3.660000 
1 1 1    8   18   12 o   30.900   0.7512 -1.545000 1.502000 
1 1 1    8   18   13 o   8.7500   2.0940 -0.7945000E-01 4.187000 
1 1 1    8   18   14 o   7.1190   1.9370 -3.298000 3.874000 
1 1 1    8   18   15 o   10.400   2.0380 0.7912000 4.075000 
1 1 1    8   18   16 o   13.490   1.7100 -3.336000 3.419000 
1 1 1    8   18   17 o   19.380   1.2420 3.635000 2.483000 
1 1 1    8   18   18 o   9.0230   2.0980 -0.4834000 4.197000 
1 1 1    8   18   19 o   9.5740   2.0790 0.6792000 4.158000 
1 1 1    8   18   20 o   8.9790   2.0820 0.5988000 4.165000 
1 1 1    8   18   21 o   11.100   1.9140 2.182000 3.828000 
1 1 1    8   18   22 o   15.560   1.3930 -0.2367000 2.786000 
1 1 1    8   18   23 o   8.3460   2.0520 0.2541000 4.105000 
1 1 1    8   18   24 o   10.530   1.8920 -2.766000 3.785000 
1 1 1    8   19    0 o   8.3760   2.9560 -0.000000 0.000000 
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1 1 1    8   19    2 o   17.750   1.2580 1.043000 2.516000 
1 1 1    8   19    3 o   9.0420   1.9280 5.210000 3.856000 
1 1 1    8   19    4 f   22.220   1.0400 3.469000 2.079000 
1 1 1    8   19    5 o   20.630   1.0930 1.651000 2.186000 
1 1 1    8   19    6 o   8.0030   2.0990 0.1144000 4.198000 
1 1 1    8   19    7 o   11.000   2.0170 1.423000 4.034000 
1 1 1    8   19    8 o   18.820   1.2520 -0.3226000 2.505000 
1 1 1    8   19    9 o   13.270   1.8330 1.818000 3.666000 
1 1 1    8   19   10 o   14.200   1.7450 -7.958000 3.491000 
1 1 1    8   19   11 o   16.940   1.5250 2.440000 3.050000 
1 1 1    8   19   12 o   13.350   1.8170 -6.971000 3.634000 
1 1 1    8   19   13 o   12.160   1.8280 7.869000 3.656000 
1 1 1    8   19   14 o   10.760   2.0530 1.629000 4.106000 
1 1 1    8   19   15 o   18.060   1.2780 -2.240000 2.557000 
1 1 1    8   19   16 o   11.630   1.9360 -2.200000 3.873000 
1 1 1    8   19   17 o   8.1240   2.0110 -3.313000 4.021000 
1 1 1    8   19   18 o   10.680   1.9770 3.332000 3.953000 
1 1 1    8   19   19 f   8.6340   2.0590 2.333000 4.118000 
1 1 1    8   19   20 o   5.6590   1.8000 0.5699000 3.600000 
1 1 1    8   19   21 o   6.7450   1.9540 -0.4165000 3.908000 
1 1 1    8   19   22 o   6.8910   1.9550 1.399000 3.910000 
1 1 1    8   19   23 o   7.7430   1.8820 4.362000 3.765000 
1 1 1    8   20    0 o   9.2950   3.0410 -0.000000 0.000000 
1 1 1    8   20    1 o   7.5120   2.0220 -3.248000 4.044000 
1 1 1    8   20    2 o   11.450   2.0330 -1.959000 4.065000 
1 1 1    8   20    3 o   12.220   1.9390 1.010000 3.879000 
1 1 1    8   20    4 o   7.3160   2.0950 -0.3596000 4.190000 
1 1 1    8   20    5 o   15.640   1.6240 3.582000 3.249000 
1 1 1    8   20    6 o   14.190   1.7530 0.2268000E-01 3.506000 
1 1 1    8   20    7 f   16.650   1.6520 0.1317000 3.304000 
1 1 1    8   20    8 o   8.4650   2.1750 0.4419000 4.350000 
1 1 1    8   20    9 o   9.7370   2.1790 0.4914000E-01 4.358000 
1 1 1    8   20   10 o   10.940   2.1060 -1.340000 4.211000 
1 1 1    8   20   11 o   8.5460   2.1280 2.346000 4.256000 
1 1 1    8   20   12 o   10.510   2.1130 -2.801000 4.226000 
1 1 1    8   20   13 o   9.4380   2.1410 2.103000 4.281000 
1 1 1    8   20   14 o   10.010   2.1660 1.662000 4.331000 
1 1 1    8   20   15 o   8.3120   2.0580 2.532000 4.117000 
1 1 1    8   20   16 f   17.290   1.2940 0.1638000 2.589000 
1 1 1    8   20   17 o   10.610   1.9290 4.908000 3.859000 
1 1 1    8   20   18 o   11.330   1.9670 1.368000 3.934000 
1 1 1    8   20   19 o   7.2620   1.9990 1.727000 3.998000 
1 1 1    8   20   20 o   5.7530   1.8150 -0.6010000 3.631000 
1 1 1    8   20   21 o   8.8160   2.0450 1.153000 4.090000 
1 1 1    8   21    0 f   6.3380   2.7850 -0.000000 0.000000 
1 1 1    8   21    1 o   14.710   1.7290 2.508000 3.457000 
1 1 1    8   21    2 o   14.580   1.7550 -0.1805000 3.510000 
1 1 1    8   21    3 o   14.410   1.7740 -1.952000 3.549000 
1 1 1    8   21    4 f   15.480   1.6890 4.145000 3.379000 
1 1 1    8   21    5 o   21.200   1.2120 -2.592000 2.424000 
1 1 1    8   21    6 o   13.180   1.9320 3.560000 3.865000 
1 1 1    8   21    7 f   12.540   1.9870 -1.445000 3.974000 
1 1 1    8   21    8 o   11.810   2.0530 3.503000 4.105000 
1 1 1    8   21    9 o   8.3390   2.1740 1.767000 4.349000 
1 1 1    8   21   10 o   9.2190   2.2080 -0.2781000 4.416000 
1 1 1    8   21   11 o   16.040   1.5330 -2.670000 3.067000 
1 1 1    8   21   12 o   11.890   1.8670 -7.469000 3.734000 
1 1 1    8   21   13 o   5.9120   1.8760 0.8537000 3.752000 
1 1 1    8   21   14 o   7.2130   2.0390 1.140000 4.078000 
1 1 1    8   21   15 o   10.440   2.0050 3.932000 4.009000 
1 1 1    8   21   16 o   6.0280   1.8670 -1.103000 3.734000 
1 1 1    8   21   17 o   6.3410   1.8680 -2.785000 3.736000 
1 1 1    8   21   18 o   5.6310   1.7900 0.8278000 3.580000 
1 1 1    8   21   19 o   7.2890   2.0040 -1.373000 4.009000 
1 1 1    8   22    0 o   14.740   2.4970 -0.000000 0.000000 
1 1 1    8   22    1 o   13.910   1.8670 2.178000 3.735000 
1 1 1    8   22    2 o   11.910   2.0990 1.726000 4.198000 
1 1 1    8   22    3 o   10.680   2.1170 -4.594000 4.235000 
1 1 1    8   22    4 f   10.830   2.2160 0.3111000 4.433000 
1 1 1    8   22    5 o   10.590   2.0980 -4.899000 4.197000 
1 1 1    8   22    6 o   12.650   2.0150 0.4873000 4.029000 
1 1 1    8   22    7 o   15.470   1.6290 0.5767000 3.258000 
1 1 1    8   22    8 o   5.8470   1.8810 -0.7323000 3.761000 
1 1 1    8   22    9 o   5.9550   1.8930 0.9606000 3.786000 
1 1 1    8   22   10 o   8.4660   2.0760 -3.862000 4.153000 
1 1 1    8   22   11 o   7.4530   2.0840 -0.5425000 4.168000 
1 1 1    8   22   12 o   7.6310   2.0790 1.138000 4.157000 
1 1 1    8   22   13 o   4.8860   1.6500 0.7806000 3.300000 
1 1 1    8   22   14 o   5.6010   1.7930 0.8551000 3.586000 
1 1 1    8   22   15 o   6.0270   1.8530 0.9105000 3.705000 
1 1 1    8   22   16 f   5.6090   1.7770 -1.039000 3.553000 
1 1 1    8   23    0 o   12.940   2.8010 -0.000000 0.000000 
1 1 1    8   23    1 o   9.2790   2.2240 -1.255000 4.448000 
1 1 1    8   23    2 o   8.2590   2.1730 -2.313000 4.346000 
1 1 1    8   23    3 o   6.9290   2.0690 -0.8270000 4.137000 
1 1 1    8   23    4 o   12.380   2.0290 -0.3339000 4.057000 
1 1 1    8   23    5 o   11.360   2.1020 2.440000 4.203000 
1 1 1    8   23    6 o   13.250   1.9060 -2.376000 3.811000 
1 1 1    8   23    7 o   9.9270   2.1770 1.677000 4.355000 
1 1 1    8   23    8 o   5.5950   1.8210 0.6090000 3.643000 
1 1 1    8   23    9 o   7.9290   2.1080 1.894000 4.216000 
1 1 1    8   23   10 o   10.580   2.0970 1.608000 4.194000 
1 1 1    8   23   11 o   8.1680   2.0580 2.431000 4.117000 
1 1 1    8   23   12 o   7.2990   1.9700 -2.467000 3.940000 
1 1 1    8   23   13 o   5.8790   1.8190 0.2840000 3.638000 
1 1 1    8   24    0 o   8.4960   3.1230 -0.000000 0.000000 
1 1 1    8   24    1 o   9.8990   2.1840 2.247000 4.369000 
1 1 1    8   24    2 o   12.400   2.0340 2.481000 4.068000 
1 1 1    8   24    3 o   9.6670   2.2120 -1.874000 4.424000 
1 1 1    8   24    4 o   7.6830   2.0530 3.819000 4.106000 
1 1 1    8   24    5 o   10.590   2.0550 -4.923000 4.111000 
1 1 1    8   24    6 o   6.2570   1.9400 1.277000 3.881000 
1 1 1    8   24    7 o   13.090   1.8160 0.3532000 3.632000 
1 1 1    8   24    8 o   7.5580   1.9680 3.682000 3.936000 
1 1 1    8   24    9 o   9.8560   2.0210 2.589000 4.043000 
1 1 1    9    0    1 o  157.400   1.6410 -0.000000 0.000000 
1 1 1    9    0    2 o   43.360   0.4604 -0.000000 0.000000 
1 1 1    9    0    3 o   95.000   1.1440 -0.000000 0.000000 
1 1 1    9    0    4 o   38.790   0.4783 -0.000000 0.000000 
1 1 1    9    0    5 o  137.500   1.6590 -0.000000 0.000000 
1 1 1    9    0    6 o   33.020   0.4181 -0.000000 0.000000 
1 1 1    9    0    7 o  104.400   1.2750 -0.000000 0.000000 
1 1 1    9    0    8 o   88.090   1.0960 -0.000000 0.000000 
1 1 1    9    0    9 o   33.730   0.7869 -0.000000 0.000000 
1 1 1    9    0   10 o   87.200   1.8280 -0.000000 0.000000 
1 1 1    9    0   11 o   55.910   1.1960 -0.000000 0.000000 
1 1 1    9    0   12 o  150.900   3.1480 -0.000000 0.000000 
1 1 1    9    0   13 o   5.7000   1.9400 -0.000000 0.000000 
1 1 1    9    0   14 o   3.4680   0.9607 -0.000000 0.000000 
1 1 1    9    0   15 o   50.610   0.6447 -0.000000 0.000000 
1 1 1    9    0   16 o   6.6700   0.6269 -0.000000 0.000000 
1 1 1    9    0   17 f   25.790   0.4837 -0.000000 0.000000 
1 1 1    9    0   18 o   4.9940   1.0300 -0.000000 0.000000 
1 1 1    9    0   19 o   32.690   0.5639 -0.000000 0.000000 
1 1 1    9    0   20 o   43.950   0.7019 -0.000000 0.000000 
1 1 1    9    0   21 o   6.3500   1.3790 -0.000000 0.000000 
1 1 1    9    0   22 o   7.6420   1.3310 -0.000000 0.000000 
1 1 1    9    0   23 o   22.690   0.6067 -0.000000 0.000000 
1 1 1    9    0   24 o   20.830   0.6458 -0.000000 0.000000 
1 1 1    9    0   25 o   30.600   0.6377 -0.000000 0.000000 
1 1 1    9    0   26 o   43.910   0.7471 -0.000000 0.000000 
1 1 1    9    0   27 o   33.890   0.6929 -0.000000 0.000000 
1 1 1    9    0   28 o   10.530   1.5470 -0.000000 0.000000 
1 1 1    9    0   29 o   24.230   0.7963 -0.000000 0.000000 
1 1 1    9    0   30 f   16.100   0.8865 -0.000000 0.000000 
1 1 1    9    0   31 o   8.0080   1.7850 -0.000000 0.000000 
1 1 1    9    0   32 o   12.670   1.1620 -0.000000 0.000000 
1 1 1    9    0   33 o   7.9790   1.8480 -0.000000 0.000000 
1 1 1    9    0   34 o   5.0980   1.9570 -0.000000 0.000000 
1 1 1    9    0   35 o   5.5700   2.0010 -0.000000 0.000000 
1 1 1    9    1    0 o   42.790   0.6441 -0.000000 0.000000 
1 1 1    9    1    1 o   56.700   0.5974 -8.583000 1.195000 
1 1 1    9    1    2 o   98.820   1.0340 15.26000 2.068000 
1 1 1    9    1    3 o   70.700   0.7406 1.749000 1.481000 
1 1 1    9    1    4 o   81.200   0.8521 14.45000 1.704000 
1 1 1    9    1    5 o  105.600   1.1030 8.214000 2.205000 
1 1 1    9    1    6 o   37.170   0.4121 9.017000 0.8242000 
1 1 1    9    1    7 o   74.970   0.7131 7.815000 1.426000 
1 1 1    9    1    8 o   96.100   0.9294 -8.992000 1.859000 
1 1 1    9    1    9 o   91.980   0.8778 6.962000 1.756000 
1 1 1    9    1   10 o   19.660   0.2946 3.081000 0.5893000 
1 1 1    9    1   11 o   99.120   0.8670 2.293000 1.734000 
1 1 1    9    1   12 o   65.060   0.8133      ?      ? 
1 1 1    9    1   13 o   7.3700   0.5285      ?      ? 
1 1 1    9    1   15 o   8.0190   0.6941 -0.4968000 1.388000 
1 1 1    9    1   16 o   32.600   0.4761 -1.388000 0.9521000 
1 1 1    9    1   17 o   40.440   0.5530 2.381000 1.106000 
1 1 1    9    1   18 o   37.000   0.5268 -1.872000 1.054000 
1 1 1    9    1   19 o   17.640   0.6880      ?      ? 
1 1 1    9    1   20 o   20.540   0.4641 -0.9935000 0.9282000 
1 1 1    9    1   21 o   47.900   0.7676      ?      ? 
1 1 1    9    1   22 o   30.020   0.4367 -0.1563000 0.8734000 
1 1 1    9    1   23 f   14.380   0.7965      ?      ? 
1 1 1    9    1   24 o   18.440   0.5016 -3.035000 1.003000 
1 1 1    9    1   25 o   14.970   0.5666 -1.753000 1.133000 
1 1 1    9    1   26 o   51.610   0.6756      ?      ? 
1 1 1    9    1   27 f   28.760   0.4509 1.717000 0.9019000 
1 1 1    9    1   28 o   28.930   0.4731 -1.510000 0.9462000 
1 1 1    9    1   29 o   29.320   0.4947 0.3679000E-02 0.9895000 
1 1 1    9    1   30 o   18.810   0.6556 0.6656000 1.311000 
1 1 1    9    1   31 o   17.070   0.7303 -0.8058000 1.461000 
1 1 1    9    1   32 o   21.370   0.6001 -1.655000 1.200000 
1 1 1    9    1   33 o   11.850   1.0930 -6.778000 2.186000 
1 1 1    9    1   34 o   6.9240   1.4630 1.954000 2.925000 
1 1 1    9    1   35 o   5.5380   1.4730 1.169000 2.947000 
1 1 1    9    2    0 o   57.320   0.8561 -0.000000 0.000000 
1 1 1    9    2    1 o   41.230   0.4475 -3.544000 0.8950000 
1 1 1    9    2    2 o   92.410   0.9655 0.7322000 1.931000 
1 1 1    9    2    3 o   38.450   0.4264 6.091000 0.8527000 
1 1 1    9    2    4 o   39.410   0.3979 -1.672000 0.7958000 
1 1 1    9    2    5 o   52.330   0.5094 0.7876000 1.019000 
1 1 1    9    2    6 o   99.920   0.8536 -5.541000 1.707000 
1 1 1    9    2    7 o   38.400   0.3511 -1.354000 0.7022000 
1 1 1    9    2    8 o   49.810   0.4380 0.6064000 0.8759000 
1 1 1    9    2    9 o  174.000   1.4840 3.396000 2.968000 
1 1 1    9    2   10 o  102.800   0.8793 -0.8298000 1.759000 
1 1 1    9    2   11 f   86.730   0.7448 -3.635000 1.490000 
1 1 1    9    2   12 o   48.070   0.4274 2.479000 0.8547000 
1 1 1    9    2   13 o   30.360   0.3118 5.117000 0.6236000 
1 1 1    9    2   14 o   3.0260   0.8842 0.2533000 1.768000 
1 1 1    9    2   15 o   34.880   0.4783      ?      ? 
1 1 1    9    2   16 o   36.230   0.3877 1.724000 0.7754000 
1 1 1    9    2   17 o   33.750   0.3783 -0.8223000 0.7567000 
1 1 1    9    2   18 o   41.540   0.4327 4.717000 0.8654000 
1 1 1    9    2   19 o   36.320   0.4434 -6.752000 0.8869000 
1 1 1    9    2   20 o   57.620   0.5737 0.1269000 1.147000 
1 1 1    9    2   21 o   36.060   0.6660      ?      ? 
1 1 1    9    2   22 o   34.760   0.4745 0.4946000 0.9490000 
1 1 1    9    2   23 o   36.110   0.9105      ?      ? 
1 1 1    9    2   24 o   66.950   0.8807 3.497000 1.761000 
1 1 1    9    2   25 o   14.860   0.9031 5.074000 1.806000 
1 1 1    9    2   26 o   17.590   1.1610      ?      ? 
1 1 1    9    2   27 o   53.460   0.7526 -2.675000 1.505000 
1 1 1    9    2   28 o   9.8610   1.3750 1.649000 2.751000 
1 1 1    9    2   29 o   26.280   0.6035 -0.9082000 1.207000 
1 1 1    9    2   30 o   7.0090   1.4340 -4.514000 2.869000 
1 1 1    9    2   31 o   8.2220   1.4660 1.747000 2.931000 
1 1 1    9    2   32 f   13.050   0.9855 -1.167000 1.971000 
1 1 1    9    2   33 o   5.5790   1.5320 -0.7234000 3.064000 
1 1 1    9    2   34 o   10.390   1.1940 -0.4477000 2.389000 
1 1 1    9    2   35 o   6.4700   1.5520 -2.162000 3.103000 
1 1 1    9    3    0 o   87.100   1.0560 -0.000000 0.000000 
1 1 1    9    3    1 o   26.420   0.5101      ?      ? 
1 1 1    9    3    2 o   63.890   0.5523 2.301000 1.105000 
1 1 1    9    3    3 o  157.500   1.3410 -0.4708000 2.682000 
1 1 1    9    3    4 o   49.570   0.4392 6.138000 0.8785000 
1 1 1    9    3    5 o   96.000   0.8208 1.789000 1.642000 
1 1 1    9    3    6 o  187.100   1.5930 8.143000 3.185000 
1 1 1    9    3    7 o   50.670   0.4498 -0.6998000 0.8996000 
1 1 1    9    3    8 o   74.840   0.6448 1.228000 1.290000 
1 1 1    9    3    9 o   93.180   0.7990 5.778000 1.598000 
1 1 1    9    3   10 o   32.940   0.3383 -1.326000 0.6765000 
1 1 1    9    3   11 o   93.710   0.8034 3.856000 1.607000 
1 1 1    9    3   12 o   46.440   0.4237 5.405000 0.8475000 
1 1 1    9    3   13 o   37.670   0.3646 1.232000 0.7292000 
1 1 1    9    3   14 o   32.040   0.3766 1.001000 0.7532000 
1 1 1    9    3   15 o   23.250   0.3583 1.577000 0.7165000 
1 1 1    9    3   16 o   23.310   0.3524 -0.8725000 0.7048000 
1 1 1    9    3   17 o   19.720   0.3931 -2.138000 0.7862000 
1 1 1    9    3   18 o   13.520   0.6769 -2.271000 1.354000 
1 1 1    9    3   19 f   29.570   0.4256 1.750000 0.8512000 
1 1 1    9    3   20 o   31.660   0.4439 -0.7038000 0.8879000 
1 1 1    9    3   21 o   56.440   0.5669 2.229000 1.134000 
1 1 1    9    3   22 o   19.660   0.5080 1.689000 1.016000 
1 1 1    9    3   23 o   70.850   0.6977 0.1973000 1.395000 
1 1 1    9    3   24 o   55.690   0.5734 -1.208000 1.147000 
1 1 1    9    3   25 o   40.360   0.4813 1.473000 0.9626000 
1 1 1    9    3   26 o   40.370   0.4933 0.4610000 0.9866000 
1 1 1    9    3   27 o   31.280   0.8134      ?      ? 
1 1 1    9    3   28 o   29.740   0.6806 -0.1780000 1.361000 
1 1 1    9    3   29 o   14.820   1.2770 4.616000 2.555000 
1 1 1    9    3   30 o   15.450   1.1460 -3.472000 2.291000 
1 1 1    9    3   31 o   8.0980   1.8540 -0.9945000 3.708000 
1 1 1    9    3   32 o   11.400   2.2970      ?      ? 
1 1 1    9    3   33 o   8.8340   1.7120 3.442000 3.423000 
1 1 1    9    3   34 f   7.8990   1.7020 0.4555000 3.404000 
1 1 1    9    3   35 o   9.3410   1.3580 -2.921000 2.717000 
1 1 1    9    4    0 o   60.790   0.6513 -0.000000 0.000000 
1 1 1    9    4    1 o  149.700   1.1050 7.835000 2.209000 
1 1 1    9    4    2 o  141.200   1.0420 -6.651000 2.084000 
1 1 1    9    4    3 o   30.370   0.3150 -3.676000 0.6300000 
1 1 1    9    4    4 f   54.470   0.4525 0.3309000 0.9051000 
1 1 1    9    4    5 o   43.600   0.4078 6.821000 0.8157000 
1 1 1    9    4    6 o   31.970   0.3467 4.170000 0.6934000 
1 1 1    9    4    7 o  124.600   1.0640 8.148000 2.127000 
1 1 1    9    4    8 o   26.600   0.3422 -1.531000 0.6843000 
1 1 1    9    4    9 o   84.850   0.7310 -0.8187000 1.462000 
1 1 1    9    4   10 o  106.200   0.9096 1.895000 1.819000 
1 1 1    9    4   11 o   50.330   0.4578 4.463000 0.9155000 
1 1 1    9    4   12 o   61.230   0.5401 -2.119000 1.080000 
1 1 1    9    4   13 o   54.050   0.4847 2.834000 0.9695000 
1 1 1    9    4   14 o   40.390   0.3928 2.592000 0.7855000 
1 1 1    9    4   15 o   39.870   0.3883 2.107000 0.7766000 
1 1 1    9    4   16 o   23.390   0.3684 -3.529000 0.7369000 
1 1 1    9    4   17 o   12.640   0.5732 -2.756000 1.146000 
1 1 1    9    4   18 f   12.860   0.5896 1.311000 1.179000 
1 1 1    9    4   19 o   12.470   0.6861 -3.504000 1.372000 
1 1 1    9    4   20 o   26.890   0.4283 -1.300000 0.8565000 
1 1 1    9    4   21 o   52.070   0.5426 -2.884000 1.085000 
1 1 1    9    4   22 o   43.340   0.4851 1.333000 0.9702000 
1 1 1    9    4   23 o   29.230   0.4631 -0.6496000 0.9261000 
1 1 1    9    4   24 o   51.540   0.5496 -2.096000 1.099000 
1 1 1    9    4   25 o   23.940   0.5442 1.959000 1.088000 
1 1 1    9    4   26 o   37.900   0.4974 0.6244000 0.9948000 
1 1 1    9    4   27 o   22.670   0.6177 -3.482000 1.235000 
1 1 1    9    4   28 o   16.380   0.8530 -0.3959000 1.706000 
1 1 1    9    4   29 o   37.520   0.5387 -1.762000 1.077000 
1 1 1    9    4   30 o   19.840   0.7650 0.2338000 1.530000 
1 1 1    9    4   31 o   17.630   0.8789 -0.1776000 1.758000 
1 1 1    9    4   32 o   30.810   0.6465 -2.118000 1.293000 
1 1 1    9    4   33 o   13.930   1.3270 0.7588000 2.655000 
1 1 1    9    4   34 o   12.080   1.5430 -1.552000 3.087000 
1 1 1    9    4   35 o   7.4160   1.8820 -2.770000 3.764000 
1 1 1    9    5    0 f   63.920   0.6895 -0.000000 0.000000 
1 1 1    9    5    1 o   45.770   0.3723 -1.655000 0.7447000 
1 1 1    9    5    2 o  124.600   0.9213 1.692000 1.843000 
1 1 1    9    5    3 o   54.060   0.4253 -12.63000 0.8507000 
1 1 1    9    5    4 o  184.100   1.3570 -1.681000 2.715000 
1 1 1    9    5    5 o  175.700   1.4000 1.761000 2.800000 
1 1 1    9    5    6 o   99.390   0.7948 -7.746000 1.590000 
1 1 1    9    5    7 o   49.370   0.4270 -5.704000 0.8541000 
1 1 1    9    5    8 o   48.400   0.4216 -3.503000 0.8432000 
1 1 1    9    5    9 o   53.130   0.4520 -5.985000 0.9040000 
1 1 1    9    5   10 o   86.170   0.7450 -5.498000 1.490000 
1 1 1    9    5   11 o   42.350   0.4183 5.551000 0.8365000 
1 1 1    9    5   12 o   16.660   0.4976 3.606000 0.9953000 
1 1 1    9    5   13 f   59.510   0.5305 -0.5465000 1.061000 
1 1 1    9    5   14 o   24.190   0.3942 -1.558000 0.7884000 
1 1 1    9    5   15 o   19.250   0.4378 1.002000 0.8756000 
1 1 1    9    5   16 o   43.860   0.4239 2.410000 0.8477000 
1 1 1    9    5   17 o   7.8980   1.1320 -3.716000 2.264000 
1 1 1    9    5   18 o   35.430   0.4330 0.2685000 0.8660000 
1 1 1    9    5   19 o   50.420   0.4744 -3.911000 0.9488000 
1 1 1    9    5   20 o   22.350   0.5474 2.834000 1.095000 
1 1 1    9    5   21 o   25.640   0.7327      ?      ? 
1 1 1    9    5   22 o   7.6600   1.3700 -2.487000 2.741000 
1 1 1    9    5   23 o   73.900   0.7330 -2.512000 1.466000 
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1 1 1    9    6    5 o   78.970   0.5955 2.563000 1.191000 
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1 1 1    9    7    7 o   68.460   0.5273 2.092000 1.055000 
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1 1 1    9    7   26 o   20.960   0.7143 0.5746000 1.429000 
1 1 1    9    7   27 o   22.060   0.7102 1.082000 1.420000 
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1 1 1    9    8   26 o   8.3680   1.6780 3.337000 3.356000 
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1 1 1    9   13   20 o   35.200   0.6287 -0.5707000 1.257000 
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1 1 1    9   13   23 o   31.870   0.7277 1.772000 1.455000 
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1 1 1    9   13   25 o   17.370   1.3010 5.915000 2.602000 
1 1 1    9   13   26 o   11.910   1.8410 2.148000 3.681000 
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1 1 1    9   14    3 f   15.550   1.0180 2.065000 2.036000 
1 1 1    9   14    4 o   45.750   0.5006 0.6887000 1.001000 
1 1 1    9   14    5 o   41.180   0.5051 -1.701000 1.010000 
1 1 1    9   14    6 o   12.570   1.2960 -2.417000 2.591000 
1 1 1    9   14    7 o   19.640   0.9696 1.429000 1.939000 
1 1 1    9   14    8 o   46.980   0.5065 -0.4231000 1.013000 
1 1 1    9   14    9 o   14.730   1.1220 -1.883000 2.243000 
1 1 1    9   14   10 o   36.440   0.5304 -0.1527000 1.061000 
1 1 1    9   14   11 o   63.730   0.5528 0.5608000 1.106000 
1 1 1    9   14   12 o   27.490   0.6377 1.670000 1.275000 
1 1 1    9   14   13 o   19.970   0.8302 1.274000 1.660000 
1 1 1    9   14   14 o   36.460   0.5411 -2.302000 1.082000 
1 1 1    9   14   15 o   16.830   1.0550 -4.718000 2.109000 
1 1 1    9   14   16 o   28.050   0.6635 1.643000 1.327000 
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1 1 1    9   14   18 o   10.800   1.6550 -6.092000 3.311000 
1 1 1    9   14   19 o   42.810   0.6036 0.4727000 1.207000 
1 1 1    9   14   20 o   7.2360   1.8540 3.322000 3.708000 
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1 1 1    9   14   23 o   7.5810   2.0270 2.501000 4.055000 
1 1 1    9   14   24 o   12.240   1.8510 2.232000 3.702000 
1 1 1    9   14   25 o   17.810   1.2490 3.160000 2.498000 
1 1 1    9   14   26 o   10.140   2.0300 1.759000 4.061000 
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1 1 1    9   15    2 o   39.360   0.5409 -0.1451000 1.082000 
1 1 1    9   15    3 o   31.860   0.5900 1.198000 1.180000 
1 1 1    9   15    4 o   14.100   1.2160 -0.5930000 2.431000 
1 1 1    9   15    5 o   25.170   0.7643 0.4575000E-01 1.529000 
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1 1 1    9   15    7 o   7.6100   1.8210 -1.257000 3.642000 
1 1 1    9   15    8 o   11.310   1.5700 -1.028000 3.139000 
1 1 1    9   15    9 o   38.610   0.6632 1.483000 1.326000 
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1 1 1    9   15   11 o   18.310   0.9709 -1.985000 1.942000 
1 1 1    9   15   12 o   19.640   0.9019 2.772000 1.804000 
1 1 1    9   15   13 o   9.3390   1.8140 1.670000 3.628000 
1 1 1    9   15   14 o   19.080   0.9749 0.5633000E-01 1.950000 
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1 1 1    9   15   16 f   18.700   1.0300 -3.101000 2.059000 
1 1 1    9   15   17 o   15.340   1.2860 2.062000 2.572000 
1 1 1    9   15   18 o   14.730   1.6590 10.29000 3.318000 
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1 1 1    9   15   20 o   9.2420   1.9390 -3.975000 3.879000 
1 1 1    9   15   21 o   26.660   0.8230 0.8357000 1.646000 
1 1 1    9   15   22 o   17.750   1.2360 3.918000 2.473000 
1 1 1    9   15   23 o   8.7090   2.0940 2.710000 4.188000 
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1 1 1    9   15   25 o   10.370   1.9120 6.201000 3.823000 
1 1 1    9   15   26 o   14.570   1.5760 4.659000 3.152000 
1 1 1    9   15   27 o   10.140   1.8420 6.443000 3.685000 
1 1 1    9   15   28 o   6.1840   1.8680 0.9701000 3.736000 
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1 1 1    9   16    2 o   26.910   0.7046 -2.934000 1.409000 
1 1 1    9   16    3 o   23.390   0.7934 1.529000 1.587000 
1 1 1    9   16    4 o   27.540   0.6959 1.477000 1.392000 
1 1 1    9   16    5 o   15.640   1.2600 -0.4333000 2.521000 
1 1 1    9   16    6 o   34.600   0.6062 0.8328000 1.212000 
1 1 1    9   16    7 o   27.240   0.7111 1.106000 1.422000 
1 1 1    9   16    8 o   7.3200   1.7130 -5.336000 3.425000 
1 1 1    9   16    9 o   13.670   1.4500 3.426000 2.900000 
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1 1 1    9   16   11 o   23.960   0.8169 -0.4429000 1.634000 
1 1 1    9   16   12 o   28.800   0.7909 3.322000 1.582000 
1 1 1    9   16   13 o   16.150   1.2360 2.280000 2.471000 
1 1 1    9   16   14 o   24.930   0.8037 0.4617000 1.607000 
1 1 1    9   16   15 o   15.110   1.3400 -1.866000 2.680000 
1 1 1    9   16   16 o   7.8110   2.0640 0.1554000 4.127000 
1 1 1    9   16   17 o   24.050   0.8925 -1.714000 1.785000 
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1 1 1    9   16   19 o   10.840   1.8280 -5.882000 3.656000 
1 1 1    9   16   20 o   13.330   1.6760 2.537000 3.352000 
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1 1 1    9   16   26 o   23.380   0.9646 3.325000 1.929000 
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1 1 1    9   17    3 o   21.630   0.9024 -2.874000 1.805000 
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1 1 1    9   17    8 o   31.190   0.6980 3.087000 1.396000 
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1 1 1    9   18   12 o   27.710   0.8255 -1.258000 1.651000 
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1 1 1   10    0    9 o   48.320   0.6158 -0.000000 0.000000 
1 1 1   10    0   10 o  109.300   2.2850 -0.000000 0.000000 
1 1 1   10    0   11 o   8.9530   1.3950 -0.000000 0.000000 
1 1 1   10    0   12 o   13.790   0.9793 -0.000000 0.000000 
1 1 1   10    0   13 o   62.330   1.3310 -0.000000 0.000000 
1 1 1   10    0   14 o   15.360   0.9441 -0.000000 0.000000 
1 1 1   10    0   15 o   40.310   0.9279 -0.000000 0.000000 
1 1 1   10    0   16 o   12.870   0.4763 -0.000000 0.000000 
1 1 1   10    0   17 o   10.030   0.4771 -0.000000 0.000000 
1 1 1   10    0   18 o   12.830   0.5330 -0.000000 0.000000 
1 1 1   10    0   19 o   8.2170   0.6605 -0.000000 0.000000 
1 1 1   10    0   20 o   39.470   0.6531 -0.000000 0.000000 
1 1 1   10    0   21 o   31.910   0.4661 -0.000000 0.000000 
1 1 1   10    0   22 f   57.440   0.7283 -0.000000 0.000000 
1 1 1   10    0   23 o   37.960   0.6645 -0.000000 0.000000 
1 1 1   10    0   24 o   87.870   1.0840 -0.000000 0.000000 
1 1 1   10    0   25 o   15.280   0.6110 -0.000000 0.000000 
1 1 1   10    0   26 o   10.370   0.9216 -0.000000 0.000000 
1 1 1   10    0   27 o   17.100   0.6533 -0.000000 0.000000 
1 1 1   10    0   28 o   14.500   1.0920 -0.000000 0.000000 
1 1 1   10    0   29 o   6.7580   1.7780 -0.000000 0.000000 
1 1 1   10    0   30 o   14.870   0.8885 -0.000000 0.000000 
1 1 1   10    0   31 o   4.3120   1.8110 -0.000000 0.000000 
1 1 1   10    0   32 o   33.820   0.6035 -0.000000 0.000000 
1 1 1   10    0   33 o   6.8950   1.9220 -0.000000 0.000000 
1 1 1   10    0   34 o   10.360   1.3420 -0.000000 0.000000 
1 1 1   10    0   35 o   2.6400   1.3150 -0.000000 0.000000 
1 1 1   10    1    0 o  189.200   2.7850 -0.000000 0.000000 
1 1 1   10    1    1 o  145.200   1.5120 3.965000 3.025000 
1 1 1   10    1    2 o   93.060   0.9713 4.368000 1.943000 
1 1 1   10    1    3 o   46.520   0.4976 -10.45000 0.9952000 
1 1 1   10    1    4 o   19.970   0.2891 -6.326000 0.5781000 
1 1 1   10    1    5 o   55.240   0.5837 0.5472000 1.167000 
1 1 1   10    1    6 o  103.600   1.0820 2.044000 2.163000 
1 1 1   10    1    7 o   95.790   1.0020 -2.905000 2.005000 
1 1 1   10    1    8 o   44.240   0.4421 -5.251000 0.8842000 
1 1 1   10    1    9 o   77.540   0.7477 -1.804000 1.495000 
1 1 1   10    1   10 o  188.400   1.8060 2.268000 3.613000 
1 1 1   10    1   11 o  123.700   1.2010 -5.680000 2.402000 
1 1 1   10    1   12 o   93.380   0.9828 1.324000 1.966000 
1 1 1   10    1   13 o   11.730   0.8369 5.401000 1.674000 
1 1 1   10    1   14 o   12.470   0.6847 1.233000 1.369000 
1 1 1   10    1   15 o   26.430   0.4950 6.350000 0.9900000 
1 1 1   10    1   16 o   42.700   0.6041 0.4449000 1.208000 
1 1 1   10    1   17 o   25.660   0.6671      ?      ? 
1 1 1   10    1   18 o   10.840   0.6685 5.592000 1.337000 
1 1 1   10    1   19 o   32.500   0.7728      ?      ? 
1 1 1   10    1   20 o   37.150   0.5371 -0.1617000 1.074000 
1 1 1   10    1   21 o   45.480   0.5248 -0.5487000 1.050000 
1 1 1   10    1   22 o   14.230   0.5965 -1.723000 1.193000 
1 1 1   10    1   23 o   48.280   0.7715      ?      ? 
1 1 1   10    1   24 o   47.800   0.5481 3.508000 1.096000 
1 1 1   10    1   25 o   5.7480   1.8470      ?      ? 
1 1 1   10    1   26 o   29.730   0.4299 -0.2747000 0.8599000 
1 1 1   10    1   27 o   37.510   0.4547 0.3294000 0.9093000 
1 1 1   10    1   28 f   20.190   0.5471 0.7643000 1.094000 
1 1 1   10    1   29 f   34.490   0.4743 -0.6144000 0.9486000 
1 1 1   10    1   30 o   19.590   0.6164 -0.1621000 1.233000 
1 1 1   10    1   31 o   21.640   0.5819 -2.219000 1.164000 
1 1 1   10    1   32 o   18.250   0.6696 -0.7108000 1.339000 
1 1 1   10    1   33 o   10.460   1.1460 -2.495000 2.292000 
1 1 1   10    1   34 o   8.8930   1.3410 -1.056000 2.683000 
1 1 1   10    1   35 o   8.4400   1.2230 7.423000 2.446000 
1 1 1   10    2    0 o  111.300   1.6410 -0.000000 0.000000 
1 1 1   10    2    1 o   69.620   0.7322 6.008000 1.464000 
1 1 1   10    2    2 o   28.560   0.3440 1.970000 0.6880000 
1 1 1   10    2    3 o   98.300   1.0270 2.468000 2.054000 
1 1 1   10    2    4 o   96.100   1.0070 12.88000 2.014000 
1 1 1   10    2    5 o  116.400   1.1120 -3.141000 2.224000 
1 1 1   10    2    6 o  104.500   1.0020 -4.121000 2.003000 
1 1 1   10    2    7 o   24.910   0.3459 -5.284000 0.6917000 
1 1 1   10    2    8 o   73.020   0.6293 -10.06000 1.259000 
1 1 1   10    2    9 o  147.500   1.2580 -2.688000 2.516000 
1 1 1   10    2   10 o   74.340   0.6402 -2.717000 1.280000 
1 1 1   10    2   11 o   48.980   0.4341 1.091000 0.8682000 
1 1 1   10    2   12 o   66.340   0.5744 -2.658000 1.149000 
1 1 1   10    2   13 f   38.230   0.3559 -3.630000 0.7117000 
1 1 1   10    2   14 o   37.750   0.3537 -2.048000 0.7074000 
1 1 1   10    2   15 o   99.570   0.9550 2.392000 1.910000 
1 1 1   10    2   16 o   41.590   0.4278 -0.1522000 0.8556000 
1 1 1   10    2   17 o   8.6590   0.6569 -0.8300000E-01 1.314000 
1 1 1   10    2   18 o   69.360   0.6788 -2.278000 1.358000 
1 1 1   10    2   19 o   18.330   0.3942 -1.891000 0.7885000 
1 1 1   10    2   20 o   18.420   0.4271 1.742000 0.8542000 
1 1 1   10    2   21 o   30.830   0.4499 -0.3420000E-02 0.8998000 
1 1 1   10    2   23 o   50.100   0.6973 -1.778000 1.395000 
1 1 1   10    2   24 o   52.850   1.1720      ?      ? 
1 1 1   10    2   25 o   27.950   0.8637      ?      ? 
1 1 1   10    2   26 o   26.920   0.5797 1.096000 1.159000 
1 1 1   10    2   27 o   47.120   0.6842 -0.8712000 1.368000 
1 1 1   10    2   28 o   16.960   0.7928 0.2051000 1.586000 
1 1 1   10    2   29 o   20.130   1.0580      ?      ? 
1 1 1   10    2   30 o   14.220   0.8492 -2.905000 1.698000 
1 1 1   10    2   31 o   6.4970   1.3550 -5.711000 2.709000 
1 1 1   10    2   32 o   11.160   1.1120 -1.629000 2.224000 
1 1 1   10    2   33 o   7.8970   1.4410 -3.826000 2.882000 
1 1 1   10    2   34 o   8.2640   1.3890 -3.608000 2.778000 
1 1 1   10    2   35 o   7.4230   1.4550 2.633000 2.910000 
1 1 1   10    3    0 o   3.9960   1.4890 -0.000000 0.000000 
1 1 1   10    3    1 o   48.100   0.5236 -0.6127000 1.047000 
1 1 1   10    3    2 o  108.900   1.0400 -1.310000 2.080000 
1 1 1   10    3    3 o   25.620   0.3380 7.976000 0.6760000 
1 1 1   10    3    4 o   93.110   0.7972 2.424000 1.594000 
1 1 1   10    3    5 o   28.530   0.3073 -2.469000 0.6146000 
1 1 1   10    3    6 o   29.570   0.3216 -9.099000 0.6432000 
1 1 1   10    3    7 o  113.400   0.9690 5.023000 1.938000 
1 1 1   10    3    8 o   30.310   0.3267 6.078000 0.6534000 
1 1 1   10    3    9 o   82.580   0.7095 0.2958000 1.419000 
1 1 1   10    3   10 f   35.650   0.3517 0.1797000E-01 0.7034000 
1 1 1   10    3   11 o  118.300   1.0100 6.179000 2.021000 
1 1 1   10    3   12 o   20.100   0.3777 2.707000 0.7555000 
1 1 1   10    3   13 o   87.290   0.7502 0.2001000 1.500000 
1 1 1   10    3   14 o   43.500   0.4460 3.964000 0.8921000 
1 1 1   10    3   15 o   8.6040   0.7228 3.604000 1.446000 
1 1 1   10    3   16 o   27.380   0.3623 0.3023000 0.7247000 
1 1 1   10    3   17 o   23.930   0.3723 1.429000 0.7446000 
1 1 1   10    3   18 o   7.4430   1.0220 -2.680000 2.044000 
1 1 1   10    3   19 o   62.260   0.6161 -3.029000 1.232000 
1 1 1   10    3   20 o   55.570   0.5582 0.9788000 1.116000 
1 1 1   10    3   21 o   27.640   0.6247      ?      ? 
1 1 1   10    3   22 o   28.830   0.6312      ?      ? 
1 1 1   10    3   23 o   14.070   0.6832 0.6091000 1.366000 
1 1 1   10    3   24 o   30.520   0.4914 -5.006000 0.9828000 
1 1 1   10    3   25 o   10.650   1.1160 -1.105000 2.233000 
1 1 1   10    3   26 o   31.090   0.4849 -0.5411000 0.9698000 
1 1 1   10    3   27 o   36.540   0.5515 1.702000 1.103000 
1 1 1   10    3   28 o   35.980   0.6498 -0.6166000 1.300000 
1 1 1   10    3   29 o   8.8370   1.4850 6.813000 2.970000 
1 1 1   10    3   30 o   10.680   1.5840 -3.608000 3.168000 
1 1 1   10    3   31 o   15.190   1.1830 -3.970000 2.366000 
1 1 1   10    3   32 o   12.340   1.4140 -0.5771000 2.828000 
1 1 1   10    3   33 o   17.880   0.9697 1.878000 1.939000 
1 1 1   10    3   34 o   10.630   1.4560 -3.714000 2.913000 
1 1 1   10    3   35 o   11.390   1.1270 1.501000 2.253000 
1 1 1   10    4    0 o  124.300   1.2990 -0.000000 0.000000 
1 1 1   10    4    1 o   85.980   0.6907 -0.7898000E-01 1.381000 
1 1 1   10    4    2 o  114.400   0.9149 2.255000 1.830000 
1 1 1   10    4    3 o   49.520   0.4474 -6.496000 0.8947000 
1 1 1   10    4    4 o  113.200   0.9676 10.93000 1.935000 
1 1 1   10    4    5 o   84.580   0.7277 -3.115000 1.455000 
1 1 1   10    4    6 o  125.700   1.0720 -1.508000 2.145000 
1 1 1   10    4    7 o   27.540   0.3397 0.4198000 0.6794000 
1 1 1   10    4    8 o   57.380   0.5095 -6.587000 1.019000 
1 1 1   10    4    9 o  155.100   1.3210 3.593000 2.643000 
1 1 1   10    4   10 o  144.100   1.2290 -4.891000 2.458000 
1 1 1   10    4   11 o   94.810   0.8142 -1.156000 1.628000 
1 1 1   10    4   12 o   52.410   0.4733 -2.935000 0.9467000 
1 1 1   10    4   13 o   37.180   0.3765 -1.872000 0.7530000 
1 1 1   10    4   14 o   25.600   0.3522 -2.013000 0.7044000 
1 1 1   10    4   15 o   39.980   0.3900 2.273000 0.7800000 
1 1 1   10    4   16 o   20.690   0.3839 -0.4864000 0.7678000 
1 1 1   10    4   17 o   19.470   0.4059 1.258000 0.8117000 
1 1 1   10    4   18 o   27.190   0.3673 1.681000 0.7347000 
1 1 1   10    4   19 o   7.9110   1.0830 -1.672000 2.166000 
1 1 1   10    4   20 o   20.990   0.4857 3.951000 0.9714000 
1 1 1   10    4   21 o   19.120   0.5716 -2.342000 1.143000 
1 1 1   10    4   22 o   22.510   0.5309 -2.019000 1.062000 
1 1 1   10    4   23 o   28.030   0.5034 -2.760000 1.007000 
1 1 1   10    4   24 o   45.620   0.7873      ?      ? 
1 1 1   10    4   25 o   9.4180   1.3170 -3.071000 2.635000 
1 1 1   10    4   26 o   19.700   0.6373 -0.6945000E-02 1.275000 
1 1 1   10    4   27 o   28.760   0.6680      ?      ? 
1 1 1   10    4   28 o   11.610   1.9270      ?      ? 
1 1 1   10    4   29 o   32.530   0.5482 0.6295000 1.096000 
1 1 1   10    4   30 o   22.380   0.6783 -0.6221000 1.357000 
1 1 1   10    4   31 o   20.440   0.7503 1.816000 1.501000 
1 1 1   10    4   32 o   17.020   0.9789 0.3255000 1.958000 
1 1 1   10    4   33 o   17.000   1.0360 -0.4485000E-01 2.071000 
1 1 1   10    4   34 o   17.070   1.1020 2.276000 2.204000 
1 1 1   10    4   35 o   7.6090   1.8280 -2.870000 3.656000 
1 1 1   10    5    0 o   14.320   0.6318 -0.000000 0.000000 
1 1 1   10    5    1 o  156.200   1.1520 6.009000 2.304000 
1 1 1   10    5    2 o  136.000   1.0060 11.22000 2.011000 
1 1 1   10    5    3 o  141.500   1.0450 0.1440000 2.090000 
1 1 1   10    5    4 o   54.710   0.4629 2.921000 0.9257000 
1 1 1   10    5    5 o   45.870   0.4093 6.165000 0.8186000 
1 1 1   10    5    6 o  108.800   0.8698 -2.865000 1.740000 
1 1 1   10    5    7 o   46.660   0.4129 2.743000 0.8257000 
1 1 1   10    5    8 o  134.900   1.1510 1.481000 2.302000 
1 1 1   10    5    9 o  178.600   1.5220 2.442000 3.045000 
1 1 1   10    5   10 o   46.250   0.4415 -3.242000 0.8829000 
1 1 1   10    5   11 o   79.740   0.6915 1.963000 1.383000 
1 1 1   10    5   12 o   43.250   0.4209 1.682000 0.8419000 
1 1 1   10    5   13 o   21.830   0.4275 -7.001000 0.8550000 
1 1 1   10    5   14 o   19.940   0.4317 1.508000 0.8635000 
1 1 1   10    5   15 o   12.870   0.6198 1.570000 1.240000 
1 1 1   10    5   16 o   18.030   0.5016 0.1550000 1.003000 
1 1 1   10    5   17 o   60.890   0.5429 -1.040000 1.086000 
1 1 1   10    5   18 o   32.470   0.3935 -4.539000 0.7870000 
1 1 1   10    5   19 o   33.480   0.4010 -3.217000 0.8019000 
1 1 1   10    5   20 o   52.340   0.4902 -1.315000 0.9804000 
1 1 1   10    5   21 o   60.660   0.6125 2.589000 1.225000 
1 1 1   10    5   22 o   29.390   0.4744 -2.966000 0.9489000 
1 1 1   10    5   23 o   41.850   0.4969 -1.102000 0.9939000 
1 1 1   10    5   24 o   31.430   0.4958 2.400000 0.9916000 
1 1 1   10    5   25 o   11.740   1.1710 0.9504000 2.342000 
1 1 1   10    5   26 o   16.190   0.8179 -1.595000 1.636000 
1 1 1   10    5   27 f   9.1880   1.5790 -3.534000 3.158000 
1 1 1   10    5   28 o   28.600   0.5888 1.186000 1.178000 
1 1 1   10    5   29 o   37.590   0.5514 -0.6886000 1.103000 
1 1 1   10    5   30 o   26.900   0.7000 3.245000 1.400000 
1 1 1   10    5   31 o   8.8040   1.6960 0.2869000 3.393000 
1 1 1   10    5   32 o   14.710   1.0990 2.851000 2.198000 
1 1 1   10    5   33 o   9.8130   1.5170 3.872000 3.034000 
1 1 1   10    5   34 o   8.4840   1.6590 -2.802000 3.318000 
1 1 1   10    5   35 o   6.3710   1.6710 0.5874000 3.342000 
1 1 1   10    6    0 o   32.680   0.4682 -0.000000 0.000000 
1 1 1   10    6    1 o   18.360   0.4157 2.800000 0.8315000 
1 1 1   10    6    2 o  113.400   0.8408 0.5722000 1.682000 
1 1 1   10    6    3 o  126.100   0.9331 0.2687000 1.866000 
1 1 1   10    6    4 o   25.550   0.3585 -7.598000 0.7171000 
1 1 1   10    6    5 o   88.880   0.6656 -0.6816000 1.331000 
1 1 1   10    6    6 o   41.190   0.3645 -0.9542000 0.7291000 
1 1 1   10    6    7 o  123.700   0.9893 -0.4057000 1.979000 
1 1 1   10    6    8 o   87.120   0.7053 -0.2502000 1.411000 
1 1 1   10    6    9 o   28.450   0.3774 1.590000 0.7549000 
1 1 1   10    6   10 o   61.210   0.5137 -3.183000 1.027000 
1 1 1   10    6   11 f   94.600   0.7644 2.308000 1.529000 
1 1 1   10    6   12 o   36.810   0.3822 -1.668000 0.7645000 
1 1 1   10    6   13 o   35.130   0.4154 3.539000 0.8308000 
1 1 1   10    6   14 o   22.570   0.4278 4.855000 0.8556000 
1 1 1   10    6   15 o   37.340   0.3882 -1.589000 0.7764000 
1 1 1   10    6   16 o   30.210   0.3878 -2.129000 0.7756000 
1 1 1   10    6   17 o   37.100   0.4169 -1.258000 0.8338000 
1 1 1   10    6   18 o   23.820   0.5329 0.7820000 1.066000 
1 1 1   10    6   19 f   32.130   0.4246 1.627000 0.8491000 
1 1 1   10    6   20 o   29.910   0.5468 -6.402000 1.094000 
1 1 1   10    6   21 o   61.870   0.5642 0.1203000 1.128000 
1 1 1   10    6   22 o   17.050   0.6519 1.905000 1.304000 
1 1 1   10    6   23 o   27.740   0.8013      ?      ? 
1 1 1   10    6   24 o   32.260   0.5231 1.461000 1.046000 
1 1 1   10    6   25 o   39.160   0.5253 1.775000 1.051000 
1 1 1   10    6   26 o   16.570   0.8698 -2.275000 1.740000 
1 1 1   10    6   27 o   13.730   1.1000 -0.4307000 2.200000 
1 1 1   10    6   28 o   35.430   0.5667 -0.7754000 1.133000 
1 1 1   10    6   29 o   8.5940   1.7150 0.6177000 3.429000 
1 1 1   10    6   30 o   25.580   0.6927 1.512000 1.385000 
1 1 1   10    6   31 o   12.740   1.3290 1.604000 2.658000 
1 1 1   10    6   32 o   7.4610   1.7510 -2.950000 3.502000 
1 1 1   10    6   33 f   16.880   0.8768 -0.8308000 1.754000 
1 1 1   10    6   34 f   9.2740   1.5300 -1.341000 3.059000 
1 1 1   10    7    0 o   37.300   0.5125 -0.000000 0.000000 
1 1 1   10    7    1 o   43.890   0.3838 -3.134000 0.7676000 
1 1 1   10    7    2 o   52.490   0.4281 -7.400000 0.8562000 
1 1 1   10    7    3 o   53.800   0.4353 1.963000 0.8705000 
1 1 1   10    7    4 o   72.390   0.5536 7.505000 1.107000 
1 1 1   10    7    5 o  132.400   0.9799 0.2296000E-01 1.960000 
1 1 1   10    7    6 o   42.390   0.3796 -1.545000 0.7593000 
1 1 1   10    7    7 o   86.590   0.6517 5.986000 1.303000 
1 1 1   10    7    8 o   65.200   0.5061 -5.798000 1.012000 
1 1 1   10    7    9 o   55.770   0.4855 3.325000 0.9709000 
1 1 1   10    7   10 o   61.020   0.5175 1.022000 1.035000 
1 1 1   10    7   11 o   42.270   0.4127 1.087000 0.8254000 
1 1 1   10    7   12 o   16.150   0.6068 0.2540000 1.214000 
1 1 1   10    7   13 o   14.370   0.6890 -2.384000 1.378000 
1 1 1   10    7   14 o   36.630   0.4615 -3.460000 0.9231000 
1 1 1   10    7   15 o   29.650   0.4695 -2.725000 0.9390000 
1 1 1   10    7   16 o   25.100   0.4879 -1.297000 0.9758000 
1 1 1   10    7   17 o   18.350   0.6288 3.242000 1.258000 
1 1 1   10    7   18 o   17.260   0.7136 -1.884000 1.427000 
1 1 1   10    7   19 o   43.810   0.4760 -2.977000 0.9519000 
1 1 1   10    7   20 o   42.780   0.4432 -2.965000 0.8863000 
1 1 1   10    7   21 o   23.960   0.5217 1.745000 1.043000 
1 1 1   10    7   22 o   32.220   0.4584 0.1236000 0.9169000 
1 1 1   10    7   23 o   45.500   0.4657 1.765000 0.9315000 
1 1 1   10    7   24 o   28.250   0.5366 -3.631000 1.073000 
1 1 1   10    7   25 o   35.110   0.5122 -1.858000 1.024000 
1 1 1   10    7   26 o   30.470   0.5514 -4.464000 1.103000 
1 1 1   10    7   27 o   24.570   0.6515 1.165000 1.303000 
1 1 1   10    7   28 o   11.250   1.4100 -3.065000 2.820000 
1 1 1   10    7   29 o   29.810   0.5926 -0.2986000 1.185000 
1 1 1   10    7   30 o   8.9380   1.6880 -1.671000 3.376000 
1 1 1   10    7   31 o   24.880   0.6689 -1.289000 1.338000 
1 1 1   10    7   32 o   15.360   1.0440 1.581000 2.089000 
1 1 1   10    7   33 o   16.690   0.9309 1.936000 1.862000 
1 1 1   10    7   34 o   12.070   1.2250 0.7843000 2.451000 
1 1 1   10    8    0 f   17.770   0.7281 -0.000000 0.000000 
1 1 1   10    8    1 o   70.470   0.5428 1.976000 1.086000 
1 1 1   10    8    2 o   13.100   0.6904 -2.184000 1.381000 
1 1 1   10    8    3 o   40.020   0.3819 -0.4654000 0.7638000 
1 1 1   10    8    4 o   62.490   0.4918 -1.250000 0.9835000 
1 1 1   10    8    5 o   52.360   0.4337 0.6246000 0.8673000 
1 1 1   10    8    6 o   23.500   0.4681 2.335000 0.9363000 
1 1 1   10    8    7 o   13.890   0.6578 -0.6770000 1.316000 
1 1 1   10    8    8 o   41.070   0.3893 2.542000 0.7787000 
1 1 1   10    8    9 f   12.450   0.7572 2.035000 1.514000 
1 1 1   10    8   10 o   26.000   0.4191 -0.1496000 0.8383000 
1 1 1   10    8   11 o   34.340   0.4263 -0.1979000E-01 0.8525000 
1 1 1   10    8   12 o   23.250   0.5186 -2.424000 1.037000 
1 1 1   10    8   13 o   33.760   0.4316 2.184000 0.8631000 
1 1 1   10    8   14 o   51.050   0.4709 -2.305000 0.9418000 
1 1 1   10    8   15 o   29.870   0.4460 -1.763000 0.8919000 
1 1 1   10    8   16 f   20.190   0.5634 0.6681000 1.127000 
1 1 1   10    8   17 o   26.510   0.4821 -0.6516000 0.9642000 
1 1 1   10    8   18 f   36.880   0.4402 1.069000 0.8803000 
1 1 1   10    8   19 o   29.860   0.4814 3.426000 0.9629000 
1 1 1   10    8   20 o   16.880   0.7827 -5.304000 1.565000 
1 1 1   10    8   21 o   38.070   0.4668 -3.286000 0.9335000 
1 1 1   10    8   22 o   23.590   0.6915 -2.712000 1.383000 
1 1 1   10    8   23 o   16.870   0.9597 2.023000 1.919000 
1 1 1   10    8   24 o   23.150   0.7643 -3.008000 1.529000 
1 1 1   10    8   25 o   16.180   0.9251 2.107000 1.850000 
1 1 1   10    8   26 o   18.760   0.8819 2.095000 1.764000 
1 1 1   10    8   27 o   34.220   0.5859 -0.5392000E-01 1.172000 
1 1 1   10    8   28 o   14.070   1.2530 2.860000 2.505000 
1 1 1   10    8   29 o   11.830   1.4740 1.804000 2.948000 
1 1 1   10    8   30 o   11.470   1.5280 -5.530000 3.056000 
1 1 1   10    8   31 o   14.960   1.1500 -2.163000 2.300000 
1 1 1   10    8   32 o   6.3760   1.7220 1.840000 3.445000 
1 1 1   10    8   33 o   23.520   0.6979 -0.1800000 1.396000 
1 1 1   10    8   34 o   6.8330   1.9400 -0.8733000 3.880000 
1 1 1   10    9    0 o   52.150   0.6211 -0.000000 0.000000 
1 1 1   10    9    1 o   13.870   0.7432 4.225000 1.486000 
1 1 1   10    9    2 o   26.830   0.4311 -1.622000 0.8621000 
1 1 1   10    9    3 o   75.440   0.5820 -2.055000 1.164000 
1 1 1   10    9    4 o   41.750   0.4044 -1.813000 0.8088000 
1 1 1   10    9    5 f   12.580   1.0150 -10.01000 2.029000 
1 1 1   10    9    6 o   16.080   0.6571 -3.216000 1.314000 
1 1 1   10    9    7 o   18.980   0.5641 -2.740000 1.128000 
1 1 1   10    9    8 o   33.490   0.4421 2.088000 0.8842000 
1 1 1   10    9    9 o   16.720   0.6249 2.993000 1.250000 
1 1 1   10    9   10 o   18.100   0.5905 0.6091000 1.181000 
1 1 1   10    9   11 o   20.430   0.5477 -1.433000 1.095000 
1 1 1   10    9   12 o   21.660   0.5449 1.729000 1.090000 
1 1 1   10    9   13 o   11.720   1.0010 -0.5279000 2.003000 
1 1 1   10    9   14 f   27.030   0.5588 -1.721000 1.118000 
1 1 1   10    9   15 o   35.070   0.4470 2.903000 0.8939000 
1 1 1   10    9   16 o   23.530   0.5424 1.930000 1.085000 
1 1 1   10    9   17 o   47.310   0.4723 -1.586000 0.9446000 
1 1 1   10    9   18 o   49.520   0.4866 0.9556000 0.9731000 
1 1 1   10    9   19 o   28.680   0.5255 -1.660000 1.051000 
1 1 1   10    9   20 o   63.020   0.5598 -2.009000 1.120000 
1 1 1   10    9   21 o   21.370   0.7816 1.364000 1.563000 
1 1 1   10    9   22 o   32.750   0.5269 -0.9674000 1.054000 
1 1 1   10    9   23 o   11.830   1.2630 -0.3823000 2.527000 
1 1 1   10    9   24 o   50.600   0.5223 -1.128000 1.045000 
1 1 1   10    9   25 o   26.270   0.7745 -1.463000 1.549000 
1 1 1   10    9   26 o   31.070   0.6059 -0.4053000E-01 1.212000 
1 1 1   10    9   27 o   26.720   0.7179 0.6331000 1.436000 
1 1 1   10    9   28 o   15.660   1.2200 3.039000 2.440000 
1 1 1   10    9   29 o   18.230   1.0010 -1.021000 2.002000 
1 1 1   10    9   30 o   10.660   1.6840 0.5114000 3.368000 
1 1 1   10    9   31 o   16.330   1.1030 -3.282000 2.205000 
1 1 1   10    9   32 o   17.020   1.0100 -0.6359000 2.021000 
1 1 1   10    9   33 o   9.4890   1.6790 1.703000 3.358000 
1 1 1   10   10    0 o  121.700   1.2820 -0.000000 0.000000 
1 1 1   10   10    1 o   23.220   0.5051 -2.410000 1.010000 
1 1 1   10   10    2 o   11.570   1.0630 6.078000 2.126000 
1 1 1   10   10    3 o   43.510   0.4239 2.977000 0.8477000 
1 1 1   10   10    4 o   42.030   0.4260 0.6770000E-01 0.8520000 
1 1 1   10   10    5 o   31.450   0.4329 0.8645000 0.8659000 
1 1 1   10   10    6 o   12.480   0.8962 -1.876000 1.792000 
1 1 1   10   10    7 o   19.200   0.6067 -1.092000 1.213000 
1 1 1   10   10    8 o   22.010   0.5372 2.326000 1.074000 
1 1 1   10   10    9 o   30.380   0.4462 3.172000 0.8924000 
1 1 1   10   10   10 o   45.820   0.4318 -1.459000 0.8636000 
1 1 1   10   10   11 o   50.300   0.4498 4.430000 0.8996000 
1 1 1   10   10   12 o   20.260   0.5870 -0.8438000 1.174000 
1 1 1   10   10   13 o   11.470   1.0710 3.160000 2.143000 
1 1 1   10   10   14 o   23.830   0.5396 5.969000 1.079000 
1 1 1   10   10   15 f   50.600   0.4939 2.059000 0.9878000 
1 1 1   10   10   16 o   21.520   0.7452 -1.127000 1.490000 
1 1 1   10   10   17 o   19.320   0.8352 3.784000 1.670000 
1 1 1   10   10   18 o   14.230   1.0280 4.283000 2.055000 
1 1 1   10   10   19 o   21.090   0.7245 -0.3115000 1.449000 
1 1 1   10   10   20 o   11.110   1.3920 1.371000 2.784000 
1 1 1   10   10   21 o   41.410   0.5905 2.666000 1.181000 
1 1 1   10   10   22 o   17.930   0.9826 -2.843000 1.965000 
1 1 1   10   10   23 o   27.840   0.6493 -2.640000 1.299000 
1 1 1   10   10   24 o   25.340   0.7688 4.162000 1.538000 
1 1 1   10   10   25 o   11.910   1.5360 -1.413000 3.072000 
1 1 1   10   10   26 o   14.820   1.3050 -4.269000 2.609000 
1 1 1   10   10   27 f   13.170   1.4580 -2.467000 2.917000 
1 1 1   10   10   28 o   21.990   0.9171 -1.395000 1.834000 
1 1 1   10   10   29 o   20.980   0.9675 3.296000 1.935000 
1 1 1   10   10   30 o   7.3200   1.8890 2.710000 3.778000 
1 1 1   10   10   31 o   15.220   1.2810 2.738000 2.563000 
1 1 1   10   10   32 o   7.5230   1.7170 -4.535000 3.434000 
1 1 1   10   11    0 o   30.020   0.6447 -0.000000 0.000000 
1 1 1   10   11    1 o   14.610   0.9008 -0.9380000 1.802000 
1 1 1   10   11    2 o   24.300   0.5253 2.056000 1.051000 
1 1 1   10   11    3 o   33.190   0.4500 -2.251000 0.8999000 
1 1 1   10   11    4 o   6.0770   1.5370 0.2611000E-01 3.073000 
1 1 1   10   11    5 o   17.160   0.7270 3.408000 1.454000 
1 1 1   10   11    6 o   46.280   0.4464 0.8952000 0.8928000 
1 1 1   10   11    7 o   54.120   0.4716 -1.359000 0.9433000 
1 1 1   10   11    8 o   78.020   0.6066 3.739000 1.213000 
1 1 1   10   11    9 o   20.600   0.6229 0.6615000 1.246000 
1 1 1   10   11   10 o   21.290   0.6058 1.497000 1.212000 
1 1 1   10   11   11 o   47.370   0.4527 1.927000 0.9053000 
1 1 1   10   11   12 o   17.860   0.7110 -1.105000 1.422000 
1 1 1   10   11   13 o   25.130   0.5392 -2.251000 1.078000 
1 1 1   10   11   14 o   16.980   0.7622 -2.949000 1.524000 
1 1 1   10   11   15 o   23.470   0.5991 3.699000 1.198000 
1 1 1   10   11   16 o   40.040   0.4647 0.2116000 0.9294000 
1 1 1   10   11   17 o   22.090   0.7204 -1.143000 1.441000 
1 1 1   10   11   18 o   37.250   0.5634 2.969000 1.127000 
1 1 1   10   11   19 f   12.080   1.4500 -5.347000 2.901000 
1 1 1   10   11   20 o   20.780   0.8201 -1.188000 1.640000 
1 1 1   10   11   21 o   16.720   1.0200 1.234000 2.040000 
1 1 1   10   11   22 o   11.280   1.5370 7.147000 3.075000 
1 1 1   10   11   23 o   16.860   1.2810 -0.5904000 2.562000 
1 1 1   10   11   24 o   17.580   1.2880 -2.384000 2.577000 
1 1 1   10   11   25 o   44.740   0.5847 -2.312000 1.169000 
1 1 1   10   11   26 o   32.370   0.6725 -0.5510000 1.345000 
1 1 1   10   11   27 o   11.320   1.7230 -3.359000 3.446000 
1 1 1   10   11   28 o   14.610   1.4830 -2.407000 2.966000 
1 1 1   10   11   29 o   10.010   1.8020 -4.056000 3.604000 
1 1 1   10   11   30 o   8.1150   2.1060 -2.181000 4.213000 
1 1 1   10   11   31 o   7.5600   1.9110 0.8526000 3.822000 
1 1 1   10   11   32 o   10.920   1.7160 -2.884000 3.432000 
1 1 1   10   12    0 o   60.060   0.7206 -0.000000 0.000000 
1 1 1   10   12    1 o   59.260   0.5036 -1.165000 1.007000 
1 1 1   10   12    2 o   9.6040   1.3540 -2.455000 2.708000 
1 1 1   10   12    3 o   56.450   0.4903 0.3866000 0.9807000 
1 1 1   10   12    4 o   50.240   0.4691 -0.6501000 0.9382000 
1 1 1   10   12    5 o   30.540   0.4929 -0.8261000 0.9859000 
1 1 1   10   12    6 o   34.170   0.4751 -6.969000 0.9502000 
1 1 1   10   12    7 o   22.480   0.6256 2.650000 1.251000 
1 1 1   10   12    8 o   23.080   0.6049 -1.380000 1.210000 
1 1 1   10   12    9 o   11.280   1.2630 2.591000 2.525000 
1 1 1   10   12   10 o   32.810   0.4927 1.511000 0.9854000 
1 1 1   10   12   11 o   17.880   0.7625 -0.9296000 1.525000 
1 1 1   10   12   12 o   58.900   0.5066 0.3020000 1.013000 
1 1 1   10   12   13 o   11.990   1.1830 2.888000 2.366000 
1 1 1   10   12   14 o   12.150   1.2890 0.6485000 2.579000 
1 1 1   10   12   15 o   12.350   1.3420 -2.579000 2.683000 
1 1 1   10   12   16 o   6.1060   1.6990 2.257000 3.398000 
1 1 1   10   12   17 o   30.300   0.6143 1.918000 1.229000 
1 1 1   10   12   18 f   10.440   1.6790 -0.7708000E-01 3.357000 
1 1 1   10   12   19 o   25.610   0.7243 3.802000 1.449000 
1 1 1   10   12   20 o   31.010   0.6458 0.9183000 1.292000 
1 1 1   10   12   21 o   17.980   1.0480 -1.131000 2.097000 
1 1 1   10   12   22 o   27.980   0.8403 2.286000 1.681000 
1 1 1   10   12   23 o   23.490   0.8759 -1.046000 1.752000 
1 1 1   10   12   24 o   19.650   1.0730 -1.316000 2.147000 
1 1 1   10   12   25 o   12.000   1.7370 2.439000 3.473000 
1 1 1   10   12   26 o   18.490   1.1510 -2.564000 2.302000 
1 1 1   10   12   27 o   7.5610   1.9490 2.914000 3.898000 
1 1 1   10   12   28 o   8.6050   1.9780 -0.2429000 3.955000 
1 1 1   10   12   29 o   5.8360   1.7980 0.7763000 3.595000 
1 1 1   10   12   30 o   12.060   1.6500 -2.556000 3.299000 
1 1 1   10   12   31 o   5.7850   1.7630 1.003000 3.527000 
1 1 1   10   13    0 o   54.750   0.6985 -0.000000 0.000000 
1 1 1   10   13    1 o   41.730   0.4705 -3.369000 0.9409000 
1 1 1   10   13    2 o   27.510   0.5542 0.2278000E-01 1.108000 
1 1 1   10   13    3 o   45.850   0.4722 -0.5624000E-01 0.9444000 
1 1 1   10   13    4 o   35.200   0.4904 0.8042000 0.9808000 
1 1 1   10   13    5 o   19.030   0.7705 1.005000 1.541000 
1 1 1   10   13    6 o   15.220   0.9504 -1.685000 1.901000 
1 1 1   10   13    7 o   22.170   0.6792 -1.360000 1.358000 
1 1 1   10   13    8 o   41.970   0.5172 1.226000 1.034000 
1 1 1   10   13    9 o   48.460   0.4884 2.529000 0.9768000 
1 1 1   10   13   10 o   28.040   0.6381 3.170000 1.276000 
1 1 1   10   13   11 o   33.690   0.5202 2.489000 1.040000 
1 1 1   10   13   12 o   14.850   1.1160 -0.7251000 2.232000 
1 1 1   10   13   13 o   41.310   0.4951 1.914000 0.9903000 
1 1 1   10   13   14 o   9.7270   1.5040 5.787000 3.008000 
1 1 1   10   13   15 o   15.180   1.1680 -7.863000 2.336000 
1 1 1   10   13   16 o   26.620   0.6442 -1.129000 1.288000 
1 1 1   10   13   17 o   17.040   0.9988 2.988000 1.998000 
1 1 1   10   13   18 o   26.900   0.7528 -2.253000 1.506000 
1 1 1   10   13   19 o   26.070   0.7507 0.1863000 1.501000 
1 1 1   10   13   20 o   15.090   1.3290 -1.998000 2.658000 
1 1 1   10   13   21 o   13.820   1.4880 3.689000 2.977000 
1 1 1   10   13   22 o   19.340   1.2240 -5.213000 2.447000 
1 1 1   10   13   23 o   16.450   1.5670 -1.706000 3.135000 
1 1 1   10   13   24 o   27.600   0.8135 -2.155000 1.627000 
1 1 1   10   13   25 o   7.9740   2.0700 -1.980000 4.139000 
1 1 1   10   13   26 o   10.810   1.9390 1.742000 3.879000 
1 1 1   10   13   27 o   8.8450   1.9140 4.866000 3.829000 
1 1 1   10   13   28 o   11.640   1.7640 -2.642000 3.528000 
1 1 1   10   13   29 o   13.840   1.4700 3.162000 2.939000 
1 1 1   10   13   30 o   11.360   1.7310 1.835000 3.462000 
1 1 1   10   14    0 o   27.250   0.8641 -0.000000 0.000000 
1 1 1   10   14    1 o   39.380   0.5076 2.150000 1.015000 
1 1 1   10   14    2 o   35.230   0.5259 -5.017000 1.052000 
1 1 1   10   14    3 o   27.560   0.6056 1.731000 1.211000 
1 1 1   10   14    4 o   32.920   0.5498 -2.529000 1.100000 
1 1 1   10   14    5 o   34.670   0.5319 -1.327000 1.064000 
1 1 1   10   14    6 o   24.130   0.6698 -2.438000 1.340000 
1 1 1   10   14    7 o   39.810   0.5129 2.239000 1.026000 
1 1 1   10   14    8 o   30.510   0.5770 2.570000 1.154000 
1 1 1   10   14    9 o   28.950   0.6099 1.537000 1.220000 
1 1 1   10   14   10 o   29.440   0.5979 1.574000 1.196000 
1 1 1   10   14   11 o   37.230   0.5767 -0.6108000 1.153000 
1 1 1   10   14   12 o   37.040   0.5316 -0.5377000E-01 1.063000 
1 1 1   10   14   13 o   33.320   0.5629 -1.617000 1.126000 
1 1 1   10   14   14 o   18.160   0.9410 0.3109000 1.882000 
1 1 1   10   14   15 o   13.990   1.2520 1.494000 2.505000 
1 1 1   10   14   16 o   21.190   0.8496 3.897000 1.699000 
1 1 1   10   14   17 o   30.480   0.6443 1.609000 1.289000 
1 1 1   10   14   18 o   13.790   1.3680 0.3677000 2.735000 
1 1 1   10   14   19 o   15.130   1.2640 -0.5467000 2.528000 
1 1 1   10   14   20 o   14.510   1.4530 -6.219000 2.906000 
1 1 1   10   14   21 o   26.720   0.8464 -0.9250000 1.693000 
1 1 1   10   14   22 o   14.740   1.8880 -3.981000 3.776000 
1 1 1   10   14   23 o   13.970   1.6370 -0.6555000 3.274000 
1 1 1   10   14   24 o   11.350   1.9160 3.915000 3.832000 
1 1 1   10   14   25 o   16.440   1.3850 -0.8201000 2.769000 
1 1 1   10   14   26 o   14.320   1.6210 -4.093000 3.242000 
1 1 1   10   14   27 o   7.0390   1.9810 0.5611000 3.961000 
1 1 1   10   14   28 f   9.0670   1.9930 -0.9167000 3.986000 
1 1 1   10   14   29 o   5.7080   1.7700 1.170000 3.540000 
1 1 1   10   15    0 o   45.060   0.7399 -0.000000 0.000000 
1 1 1   10   15    1 o   30.430   0.6103 -4.172000 1.221000 
1 1 1   10   15    2 o   23.770   0.7320 0.9460000 1.464000 
1 1 1   10   15    3 o   12.100   1.4350 -1.163000 2.869000 
1 1 1   10   15    4 o   7.8240   1.7370 3.532000 3.473000 
1 1 1   10   15    5 o   30.560   0.6060 -1.169000 1.212000 
1 1 1   10   15    6 o   33.300   0.5795 -1.826000 1.159000 
1 1 1   10   15    7 o   26.290   0.6889 -0.5235000 1.378000 
1 1 1   10   15    8 o   25.520   0.7794 3.839000 1.559000 
1 1 1   10   15    9 f   50.820   0.5337 1.200000 1.067000 
1 1 1   10   15   10 o   16.430   1.0920 2.779000 2.184000 
1 1 1   10   15   11 f   15.800   1.1470 3.879000 2.294000 
1 1 1   10   15   12 o   19.770   0.8948 -1.090000 1.790000 
1 1 1   10   15   13 o   12.830   1.4740 -3.408000 2.948000 
1 1 1   10   15   14 o   20.890   0.9009 -1.779000 1.802000 
1 1 1   10   15   15 o   19.480   0.9905 1.922000 1.981000 
1 1 1   10   15   16 o   22.550   0.8550 -0.9112000 1.710000 
1 1 1   10   15   17 o   26.920   0.7537 0.1225000 1.507000 
1 1 1   10   15   18 o   24.820   0.8197 1.766000 1.639000 
1 1 1   10   15   19 o   11.120   1.7990 3.483000 3.597000 
1 1 1   10   15   20 o   14.520   1.5400 6.052000 3.080000 
1 1 1   10   15   21 o   14.430   1.5380 3.351000 3.076000 
1 1 1   10   15   22 o   9.4010   2.0450 -3.076000 4.090000 
1 1 1   10   15   23 o   7.1930   2.0400 1.031000 4.080000 
1 1 1   10   15   24 o   9.7570   2.0060 4.658000 4.011000 
1 1 1   10   15   25 o   15.900   1.4360 2.398000 2.871000 
1 1 1   10   15   26 o   11.960   1.8460 1.970000 3.693000 
1 1 1   10   15   27 o   10.210   1.9860 -1.201000 3.973000 
1 1 1   10   15   28 o   6.9760   1.8660 -2.820000 3.731000 
1 1 1   10   16    0 o   61.530   0.7929 -0.000000 0.000000 
1 1 1   10   16    1 o   68.350   0.5907 -0.9330000 1.181000 
1 1 1   10   16    2 o   46.150   0.5366 -2.011000 1.073000 
1 1 1   10   16    3 o   33.350   0.6046 -0.5764000E-01 1.209000 
1 1 1   10   16    4 o   22.330   0.8257 3.100000 1.651000 
1 1 1   10   16    5 o   23.710   0.7989 3.114000 1.598000 
1 1 1   10   16    6 o   8.5020   1.7520 5.067000 3.503000 
1 1 1   10   16    7 o   22.580   0.8449 -4.866000 1.690000 
1 1 1   10   16    8 o   13.030   1.4760 0.9829000 2.952000 
1 1 1   10   16    9 o   19.400   0.9843 0.1915000 1.969000 
1 1 1   10   16   10 o   40.940   0.5715 -0.7231000 1.143000 
1 1 1   10   16   11 o   32.480   0.6530 -0.6153000E-02 1.306000 
1 1 1   10   16   12 o   36.320   0.6155 -0.6368000 1.231000 
1 1 1   10   16   13 o   25.990   0.7722 1.152000 1.544000 
1 1 1   10   16   14 o   19.800   1.0060 3.646000 2.012000 
1 1 1   10   16   15 o   15.780   1.2810 2.317000 2.563000 
1 1 1   10   16   16 o   31.470   0.6969 -2.318000 1.394000 
1 1 1   10   16   17 o   9.1150   1.9080 4.294000 3.816000 
1 1 1   10   16   18 o   7.4480   2.0030 0.8531000 4.006000 
1 1 1   10   16   19 o   17.440   1.2470 -0.7119000 2.494000 
1 1 1   10   16   20 o   18.270   1.1890 0.6886000 2.377000 
1 1 1   10   16   21 o   15.220   1.4960 -3.845000 2.992000 
1 1 1   10   16   22 o   6.6180   1.8580 3.537000 3.716000 
1 1 1   10   16   23 o   7.6020   2.0210 -2.524000 4.041000 
1 1 1   10   16   24 o   7.7090   2.0300 3.237000 4.060000 
1 1 1   10   16   25 o   10.370   2.0630 1.673000 4.125000 
1 1 1   10   16   26 o   5.4400   1.7640 1.023000 3.527000 
1 1 1   10   16   27 o   7.0300   1.9580 1.559000 3.915000 
1 1 1   10   17    0 o   17.440   1.5240 -0.000000 0.000000 
1 1 1   10   17    1 o   10.920   1.7550 -2.495000 3.511000 
1 1 1   10   17    2 o   10.990   1.7400 -1.538000 3.480000 
1 1 1   10   17    3 o   23.120   0.8457 0.7631000 1.691000 
1 1 1   10   17    4 o   16.290   1.2010 -1.517000 2.402000 
1 1 1   10   17    5 f   72.770   0.6232 -0.1993000 1.246000 
1 1 1   10   17    6 o   53.610   0.6128 2.401000 1.226000 
1 1 1   10   17    7 o   19.850   1.1210 -2.060000 2.243000 
1 1 1   10   17    8 o   18.390   1.1090 -1.374000 2.218000 
1 1 1   10   17    9 o   8.1680   2.0130 0.5580000 4.026000 
1 1 1   10   17   10 o   8.5360   1.9840 -1.825000 3.968000 
1 1 1   10   17   11 o   28.250   0.7652 2.720000 1.530000 
1 1 1   10   17   12 o   8.1890   2.0600 1.553000 4.119000 
1 1 1   10   17   13 o   22.520   1.0110 -5.132000 2.023000 
1 1 1   10   17   14 o   17.640   1.2010 2.377000 2.402000 
1 1 1   10   17   15 o   12.620   1.7530 3.923000 3.507000 
1 1 1   10   17   16 o   22.010   1.0060 -2.184000 2.013000 
1 1 1   10   17   17 o   12.990   1.7270 1.800000 3.454000 
1 1 1   10   17   18 f   13.810   1.6640 -4.176000 3.328000 
1 1 1   10   17   19 o   17.900   1.2640 3.809000 2.528000 
1 1 1   10   17   20 o   11.100   1.9000 -4.541000 3.799000 
1 1 1   10   17   21 o   11.180   1.9290 0.5824000 3.857000 
1 1 1   10   17   22 o   10.630   1.9110 3.975000 3.822000 
1 1 1   10   17   23 o   7.3230   1.9540 2.643000 3.908000 
1 1 1   10   17   24 o   7.5810   2.0740 1.741000 4.149000 
1 1 1   10   17   25 o   9.0320   2.0790 2.413000 4.157000 
1 1 1   10   17   26 o   8.0220   2.0660 0.3434000 4.132000 
1 1 1   10   18    0 f   15.000   2.2270 -0.000000 0.000000 
1 1 1   10   18    1 o   17.240   1.2170 1.534000 2.433000 
1 1 1   10   18    2 o   9.0720   2.0220 0.6436000E-02 4.044000 
1 1 1   10   18    3 o   17.450   1.2440 -3.580000 2.488000 
1 1 1   10   18    4 o   13.820   1.5570 0.3692000 3.115000 
1 1 1   10   18    5 o   17.920   1.2060 0.8449000 2.413000 
1 1 1   10   18    6 o   16.890   1.2690 0.8628000E-01 2.538000 
1 1 1   10   18    7 o   25.650   0.8618 0.5788000E-01 1.724000 
1 1 1   10   18    8 o   17.500   1.2400 0.4105000 2.480000 
1 1 1   10   18    9 o   15.870   1.4080 -0.5119000 2.816000 
1 1 1   10   18   10 o   11.440   1.8610 5.995000 3.722000 
1 1 1   10   18   11 o   7.4180   2.1310 1.806000 4.261000 
1 1 1   10   18   12 o   20.420   1.0820 1.358000 2.164000 
1 1 1   10   18   13 o   8.7860   2.1000 -0.2648000 4.200000 
1 1 1   10   18   14 o   13.540   1.7080 -2.461000 3.417000 
1 1 1   10   18   15 o   11.700   1.9120 -0.3606000 3.824000 
1 1 1   10   18   16 o   6.0250   1.8770 0.8018000 3.754000 
1 1 1   10   18   17 o   11.290   1.9740 -0.7141000 3.948000 
1 1 1   10   18   18 o   8.3220   2.1050 -0.1181000 4.211000 
1 1 1   10   18   19 o   10.820   1.9370 4.254000 3.873000 
1 1 1   10   18   20 o   8.2460   2.0800 -0.9613000 4.160000 
1 1 1   10   18   21 f   7.4310   1.9080 4.073000 3.815000 
1 1 1   10   18   22 o   8.5080   1.9460 4.220000 3.893000 
1 1 1   10   18   23 o   12.570   1.7550 -1.851000 3.511000 
1 1 1   10   18   24 o   7.9820   1.9520 2.972000 3.904000 
1 1 1   10   19    0 o   14.280   2.2700 -0.000000 0.000000 
1 1 1   10   19    1 o   18.900   1.2150 1.893000 2.431000 
1 1 1   10   19    2 o   16.320   1.4330 -4.431000 2.866000 
1 1 1   10   19    3 o   17.080   1.3290 -1.749000 2.658000 
1 1 1   10   19    4 o   10.260   1.9130 -5.607000 3.826000 
1 1 1   10   19    5 o   15.160   1.5470 2.212000 3.094000 
1 1 1   10   19    6 o   12.760   1.8030 1.641000 3.605000 
1 1 1   10   19    7 o   26.410   0.9180 -5.321000 1.836000 
1 1 1   10   19    8 o   21.260   1.1010 -0.7786000 2.202000 
1 1 1   10   19    9 o   8.8010   2.1180 2.241000 4.235000 
1 1 1   10   19   10 o   11.660   1.9570 4.825000 3.915000 
1 1 1   10   19   11 o   15.730   1.5540 -2.886000 3.108000 
1 1 1   10   19   12 o   27.220   0.8860 -1.577000 1.772000 
1 1 1   10   19   13 o   10.550   2.0530 -2.943000 4.105000 
1 1 1   10   19   14 f   7.1940   2.0460 -0.2722000 4.093000 
1 1 1   10   19   15 o   7.2380   1.9750 -3.356000 3.950000 
1 1 1   10   19   16 o   13.380   1.7610 2.666000 3.523000 
1 1 1   10   19   17 o   14.490   1.5930 -2.461000 3.185000 
1 1 1   10   19   18 o   14.510   1.5750 -0.5775000 3.150000 
1 1 1   10   19   19 o   6.1060   1.8310 2.948000 3.662000 
1 1 1   10   19   20 o   6.7600   1.9550 -1.236000 3.910000 
1 1 1   10   19   21 o   8.6160   2.0580 -0.9969000 4.115000 
1 1 1   10   19   22 o   7.1050   1.9690 1.475000 3.938000 
1 1 1   10   19   23 o   6.9000   1.9660 -0.3357000 3.931000 
1 1 1   10   20    0 o   9.9690   3.0560 -0.000000 0.000000 
1 1 1   10   20    1 o   11.120   2.0490 2.873000 4.098000 
1 1 1   10   20    2 o   6.9480   2.0150 -2.083000 4.031000 
1 1 1   10   20    3 o   9.0650   2.1670 -2.091000 4.333000 
1 1 1   10   20    4 o   8.5750   1.9800 -5.350000 3.960000 
1 1 1   10   20    5 o   9.9560   2.1810 0.3706000 4.361000 
1 1 1   10   20    6 o   20.910   1.2070 -4.126000 2.415000 
1 1 1   10   20    7 o   22.290   1.1150 0.4901000 2.229000 
1 1 1   10   20    8 o   16.570   1.5060 -0.4307000 3.011000 
1 1 1   10   20    9 o   22.230   1.1160 3.129000 2.232000 
1 1 1   10   20   10 o   22.330   1.1120 0.7210000 2.225000 
1 1 1   10   20   11 o   12.930   1.9050 0.7905000 3.811000 
1 1 1   10   20   12 o   14.230   1.7460 -2.794000 3.492000 
1 1 1   10   20   13 o   12.730   1.8990 1.242000 3.798000 
1 1 1   10   20   14 o   10.540   1.9670 5.055000 3.935000 
1 1 1   10   20   15 o   12.090   1.8860 -0.3598000 3.773000 
1 1 1   10   20   16 o   16.940   1.3600 3.202000 2.721000 
1 1 1   10   20   17 o   6.4160   1.9350 -1.078000 3.870000 
1 1 1   10   20   18 o   5.7830   1.7900 -2.870000 3.580000 
1 1 1   10   20   19 o   6.7090   1.9700 -0.3518000 3.939000 
1 1 1   10   20   20 o   9.0860   2.0310 2.601000 4.062000 
1 1 1   10   20   21 o   6.0150   1.8450 -1.412000 3.690000 
1 1 1   10   21    0 o   7.9700   3.0540 -0.000000 0.000000 
1 1 1   10   21    1 o   8.3050   2.1850 -0.9966000 4.370000 
1 1 1   10   21    2 o   8.8930   2.2090 -1.036000 4.418000 
1 1 1   10   21    3 o   6.7540   2.0400 1.209000 4.079000 
1 1 1   10   21    4 o   17.430   1.4650 0.4470000 2.930000 
1 1 1   10   21    5 o   14.580   1.8290 6.157000 3.658000 
1 1 1   10   21    6 o   13.040   1.9300 3.258000 3.861000 
1 1 1   10   21    7 o   17.560   1.4230 0.1288000 2.846000 
1 1 1   10   21    8 o   21.400   1.1850 -4.332000 2.369000 
1 1 1   10   21    9 o   11.820   2.0270 4.366000 4.054000 
1 1 1   10   21   10 o   7.0570   2.0540 -1.953000 4.108000 
1 1 1   10   21   11 o   8.7550   2.0770 3.753000 4.153000 
1 1 1   10   21   12 o   12.090   1.9810 1.726000 3.962000 
1 1 1   10   21   13 o   8.5390   2.1400 -1.364000 4.280000 
1 1 1   10   21   14 o   10.380   2.0420 2.468000 4.084000 
1 1 1   10   21   15 o   12.920   1.7890 -2.005000 3.579000 
1 1 1   10   21   16 o   10.100   2.0230 3.398000 4.046000 
1 1 1   10   21   17 o   8.1950   2.1020 0.2711000 4.203000 
1 1 1   10   21   18 o   7.6920   1.8460 -5.382000 3.692000 
1 1 1   10   21   19 o   5.6130   1.7890 0.7096000 3.578000 
1 1 1   10   22    0 o   11.430   3.0350 -0.000000 0.000000 
1 1 1   10   22    1 o   6.6580   2.0300 1.044000 4.060000 
1 1 1   10   22    2 o   14.730   1.7690 0.9065000 3.539000 
1 1 1   10   22    3 o   10.970   2.1130 -4.201000 4.226000 
1 1 1   10   22    4 f   7.8440   2.1900 1.140000 4.381000 
1 1 1   10   22    5 o   9.7170   2.0280 -6.216000 4.055000 
1 1 1   10   22    6 o   8.9950   2.2330 -0.5693000 4.466000 
1 1 1   10   22    7 o   7.5370   2.1120 1.654000 4.225000 
1 1 1   10   22    8 o   6.8760   1.9920 3.020000 3.984000 
1 1 1   10   22    9 f   9.4370   1.9670 -6.070000 3.933000 
1 1 1   10   22   10 o   9.0830   2.1780 0.5778000 4.356000 
1 1 1   10   22   11 o   6.2970   1.9770 -0.6212000 3.954000 
1 1 1   10   22   12 o   7.3070   2.0310 1.666000 4.061000 
1 1 1   10   22   13 o   6.6920   1.9750 -1.493000 3.949000 
1 1 1   10   22   14 o   6.2460   1.8540 -2.878000 3.709000 
1 1 1   10   22   15 o   5.6090   1.7780 -1.276000 3.556000 
1 1 1   10   22   16 o   7.5920   1.8640 4.399000 3.728000 
1 1 1   10   23    0 o   7.8500   3.0690 -0.000000 0.000000 
1 1 1   10   23    1 o   6.6340   1.9800 2.776000 3.959000 
1 1 1   10   23    2 o   7.4190   2.1210 -1.279000 4.242000 
1 1 1   10   23    3 o   7.6630   2.1520 -0.1036000 4.304000 
1 1 1   10   23    4 o   11.380   2.1490 -1.155000 4.297000 
1 1 1   10   23    5 o   8.1550   2.1310 2.832000 4.261000 
1 1 1   10   23    6 o   6.3610   1.9070 -3.292000 3.814000 
1 1 1   10   23    7 o   8.7400   2.0960 4.020000 4.193000 
1 1 1   10   23    8 o   7.4200   2.0130 -3.787000 4.025000 
1 1 1   10   23    9 o   8.7980   2.0270 -4.837000 4.054000 
1 1 1   10   23   10 o   7.9240   2.0640 -2.701000 4.128000 
1 1 1   10   23   11 o   8.2420   1.9660 4.248000 3.933000 
1 1 1   10   23   12 o   9.5500   2.0170 -2.063000 4.034000 
1 1 1   10   23   13 o   8.5250   1.7980 -6.131000 3.595000 
1 1 1   10   24    0 o   7.1320   2.9620 -0.000000 0.000000 
1 1 1   10   24    1 o   8.4230   2.1170 -3.198000 4.235000 
1 1 1   10   24    2 o   9.7080   2.1890 2.187000 4.377000 
1 1 1   10   24    3 o   5.9810   1.8820 2.712000 3.763000 
1 1 1   10   24    4 o   5.8190   1.8660 1.476000 3.733000 
1 1 1   10   24    5 o   9.3470   1.9170 6.923000 3.834000 
1 1 1   10   24    6 o   7.9660   2.0310 3.976000 4.062000 
1 1 1   10   24    7 o   5.8720   1.8480 1.538000 3.696000 
1 1 1   10   24    8 o   5.2210   1.7170 0.9834000 3.433000 
1 1 1   10   24    9 o   5.7140   1.7650 2.936000 3.531000 
1 1 1   11    0    1 o  247.000   2.5750 -0.000000 0.000000 
1 1 1   11    0    2 o   53.290   0.5621 -0.000000 0.000000 
1 1 1   11    0    3 o   11.160   0.3141 -0.000000 0.000000 
1 1 1   11    0    4 o   21.500   0.3200 -0.000000 0.000000 
1 1 1   11    0    5 o   50.460   0.6167 -0.000000 0.000000 
1 1 1   11    0    6 o   52.220   0.6383 -0.000000 0.000000 
1 1 1   11    0    7 o   80.020   0.9701 -0.000000 0.000000 
1 1 1   11    0    8 o   59.620   0.7298 -0.000000 0.000000 
1 1 1   11    0    9 o   59.220   0.7332 -0.000000 0.000000 
1 1 1   11    0   10 f   62.520   0.9651 -0.000000 0.000000 
1 1 1   11    0   11 o   13.450   0.9917 -0.000000 0.000000 
1 1 1   11    0   12 o   62.110   1.3240 -0.000000 0.000000 
1 1 1   11    0   13 o   22.790   0.8129 -0.000000 0.000000 
1 1 1   11    0   14 o   52.700   1.1450 -0.000000 0.000000 
1 1 1   11    0   15 o   64.300   1.3690 -0.000000 0.000000 
1 1 1   11    0   16 o   7.6380   1.8790 -0.000000 0.000000 
1 1 1   11    0   17 o   15.390   1.0340 -0.000000 0.000000 
1 1 1   11    0   18 o   61.380   1.3230 -0.000000 0.000000 
1 1 1   11    0   19 o   6.3740   0.8062 -0.000000 0.000000 
1 1 1   11    0   20 o   7.6590   0.9183 -0.000000 0.000000 
1 1 1   11    0   21 o   18.120   0.5465 -0.000000 0.000000 
1 1 1   11    0   22 o   16.190   0.6248 -0.000000 0.000000 
1 1 1   11    0   23 o   78.770   0.9845 -0.000000 0.000000 
1 1 1   11    0   24 o   12.650   0.6526 -0.000000 0.000000 
1 1 1   11    0   25 o   7.5020   1.1440 -0.000000 0.000000 
1 1 1   11    0   26 o   7.3890   1.2500 -0.000000 0.000000 
1 1 1   11    0   27 o   16.490   0.8552 -0.000000 0.000000 
1 1 1   11    0   28 o   38.430   0.5743 -0.000000 0.000000 
1 1 1   11    0   29 o   15.840   0.8340 -0.000000 0.000000 
1 1 1   11    0   30 o   9.7710   1.3170 -0.000000 0.000000 
1 1 1   11    0   31 o   13.430   1.0010 -0.000000 0.000000 
1 1 1   11    0   32 o   11.560   1.1740 -0.000000 0.000000 
1 1 1   11    0   33 o   17.000   0.8291 -0.000000 0.000000 
1 1 1   11    0   34 o   5.5320   1.9260 -0.000000 0.000000 
1 1 1   11    0   35 f   4.8540   1.8900 -0.000000 0.000000 
1 1 1   11    1    0 o  151.300   2.2290 -0.000000 0.000000 
1 1 1   11    1    1 o   90.100   0.9407 2.655000 1.881000 
1 1 1   11    1    2 o   47.540   0.5048 0.1029000 1.010000 
1 1 1   11    1    3 o   52.130   0.5534 -8.323000 1.107000 
1 1 1   11    1    4 o  125.600   1.3100 7.368000 2.619000 
1 1 1   11    1    5 o   94.880   0.9913 1.119000 1.983000 
1 1 1   11    1    6 o   33.070   0.3753 2.335000 0.7506000 
1 1 1   11    1    7 o   40.290   0.4420 3.709000 0.8840000 
1 1 1   11    1    8 o   33.850   0.3931 9.692000 0.7861000 
1 1 1   11    1    9 o   39.200   0.4042 -6.916000 0.8085000 
1 1 1   11    1   10 o  149.000   1.4260 2.037000 2.852000 
1 1 1   11    1   11 o   78.790   0.7612 3.530000 1.522000 
1 1 1   11    1   12 o   22.810   0.3547 -7.255000 0.7095000 
1 1 1   11    1   13 o   22.670   0.3468 -0.5072000 0.6937000 
1 1 1   11    1   14 o   65.120   0.8514 -0.8000000 1.703000 
1 1 1   11    1   15 o   14.520   0.6101 -7.429000 1.220000 
1 1 1   11    1   16 o   26.280   0.5245      ?      ? 
1 1 1   11    1   17 o   20.420   0.5539      ?      ? 
1 1 1   11    1   18 o   31.650   0.5769      ?      ? 
1 1 1   11    1   19 f   51.220   0.8006      ?      ? 
1 1 1   11    1   20 o   46.810   0.5426 -5.924000 1.085000 
1 1 1   11    1   21 o   34.930   0.4568 1.558000 0.9137000 
1 1 1   11    1   22 o   28.220   0.6263      ?      ? 
1 1 1   11    1   23 o   14.010   0.7678      ?      ? 
1 1 1   11    1   24 o   22.650   0.6040      ?      ? 
1 1 1   11    1   25 o   46.630   0.4991 -1.747000 0.9982000 
1 1 1   11    1   26 o   34.170   0.4302 -1.167000 0.8604000 
1 1 1   11    1   27 o   26.050   0.4458 -0.9382000E-01 0.8915000 
1 1 1   11    1   28 o   31.900   0.5070 -3.198000 1.014000 
1 1 1   11    1   29 o   15.990   1.0370      ?      ? 
1 1 1   11    1   30 o   24.400   0.5095 -2.513000 1.019000 
1 1 1   11    1   31 o   10.920   1.0440 -3.475000 2.089000 
1 1 1   11    1   32 o   24.450   0.5359 0.7308000 1.072000 
1 1 1   11    1   33 o   5.5560   1.3290 -2.058000 2.658000 
1 1 1   11    1   34 o   9.8130   1.0010 -0.8954000 2.003000 
1 1 1   11    1   35 f   10.590   0.9352 2.511000 1.870000 
1 1 1   11    2    0 o   89.200   1.3190 -0.000000 0.000000 
1 1 1   11    2    1 o   64.180   0.6766 4.096000 1.353000 
1 1 1   11    2    2 o  147.900   1.5410 9.343000 3.082000 
1 1 1   11    2    3 o   72.430   0.7610 1.253000 1.522000 
1 1 1   11    2    4 o   31.780   0.3740 2.047000 0.7480000 
1 1 1   11    2    5 o   27.710   0.4980      ?      ? 
1 1 1   11    2    6 o   82.240   0.7880 -0.8608000 1.576000 
1 1 1   11    2    7 o  108.300   1.0310 2.675000 2.061000 
1 1 1   11    2    8 o  100.300   0.9591 -1.243000 1.918000 
1 1 1   11    2    9 o  120.200   1.0270 -1.143000 2.053000 
1 1 1   11    2   10 o   19.580   0.2990 -2.818000 0.5980000 
1 1 1   11    2   11 f   22.870   0.3185 -0.9409000 0.6369000 
1 1 1   11    2   12 o   54.840   0.5336 4.689000 1.067000 
1 1 1   11    2   13 o   38.780   0.4038 -3.133000 0.8075000 
1 1 1   11    2   14 o   6.9220   0.6559 -0.2376000 1.312000 
1 1 1   11    2   15 o   24.340   0.2899 -0.8556000 0.5799000 
1 1 1   11    2   16 o   29.030   0.3466 4.009000 0.6932000 
1 1 1   11    2   17 o   39.690   0.4191 -1.347000 0.8382000 
1 1 1   11    2   18 o   25.050   0.3537 2.222000 0.7075000 
1 1 1   11    2   19 o   11.100   0.7850      ?      ? 
1 1 1   11    2   20 o   37.830   0.4206 -1.967000 0.8413000 
1 1 1   11    2   21 o   19.280   0.5043 3.249000 1.009000 
1 1 1   11    2   22 o   41.010   0.7100      ?      ? 
1 1 1   11    2   23 o   38.570   0.5869 -1.964000 1.174000 
1 1 1   11    2   24 o   79.940   1.7270      ?      ? 
1 1 1   11    2   25 o   42.770   1.0000      ?      ? 
1 1 1   11    2   26 o   23.520   0.5949 4.547000 1.190000 
1 1 1   11    2   27 o   33.680   0.5925 -3.559000 1.185000 
1 1 1   11    2   29 o   40.230   0.5554 -3.122000 1.111000 
1 1 1   11    2   30 f   21.170   0.5783 -1.054000 1.157000 
1 1 1   11    2   31 o   7.6860   1.2850 5.492000 2.571000 
1 1 1   11    2   32 o   16.870   0.7263 1.896000 1.453000 
1 1 1   11    2   33 o   8.9760   1.1960 -8.387000 2.392000 
1 1 1   11    2   34 o   4.9250   1.4060 1.044000 2.812000 
1 1 1   11    2   35 o   11.730   1.0000 0.4293000 2.001000 
1 1 1   11    3    0 o  128.500   1.8970 -0.000000 0.000000 
1 1 1   11    3    1 o   24.270   0.3619 -2.979000 0.7238000 
1 1 1   11    3    2 o   7.8170   0.7958 -1.544000 1.592000 
1 1 1   11    3    3 o  219.900   2.0860 4.897000 4.171000 
1 1 1   11    3    4 o   52.720   0.5178 2.489000 1.036000 
1 1 1   11    3    5 o   82.180   0.7055 -2.237000 1.411000 
1 1 1   11    3    6 o  106.900   0.9121 1.729000 1.824000 
1 1 1   11    3    7 o   34.450   0.3869 -4.051000 0.7739000 
1 1 1   11    3    8 o   25.770   0.3563 0.3764000 0.7127000 
1 1 1   11    3    9 o   41.820   0.3888 1.274000 0.7776000 
1 1 1   11    3   10 o   92.800   0.7955 4.936000 1.591000 
1 1 1   11    3   11 o  100.700   0.8627 3.486000 1.725000 
1 1 1   11    3   12 o   37.550   0.3655 1.004000 0.7311000 
1 1 1   11    3   13 o   29.890   0.3346 -5.990000 0.6691000 
1 1 1   11    3   14 o   32.840   0.3417 -0.9280000 0.6835000 
1 1 1   11    3   15 o   25.430   0.3271 3.075000 0.6541000 
1 1 1   11    3   16 o   33.110   0.3445 1.098000 0.6891000 
1 1 1   11    3   17 o   7.8990   0.7742 -2.462000 1.548000 
1 1 1   11    3   18 o   42.580   0.4499 0.4666000 0.8998000 
1 1 1   11    3   19 o   37.530   0.4214 0.8540000 0.8427000 
1 1 1   11    3   20 o   23.960   0.6003      ?      ? 
1 1 1   11    3   21 o   51.680   0.5296 -0.8234000 1.059000 
1 1 1   11    3   22 o   39.380   0.6923      ?      ? 
1 1 1   11    3   23 o   20.020   0.5390 -1.146000 1.078000 
1 1 1   11    3   24 o   49.590   0.5268 -0.6088000 1.054000 
1 1 1   11    3   25 o   29.200   0.5098 -0.7605000 1.020000 
1 1 1   11    3   26 o   31.930   0.7436      ?      ? 
1 1 1   11    3   27 f   28.740   0.5730 2.119000 1.146000 
1 1 1   11    3   28 o   15.980   0.9841 -3.881000 1.968000 
1 1 1   11    3   29 o   14.330   1.1320 -2.032000 2.264000 
1 1 1   11    3   30 o   11.700   1.4580 1.453000 2.916000 
1 1 1   11    3   31 o   17.250   1.0040 1.330000 2.007000 
1 1 1   11    3   32 o   8.2860   1.6340 -5.013000 3.268000 
1 1 1   11    3   33 o   17.040   0.9800 0.6912000E-01 1.960000 
1 1 1   11    3   34 o   6.9900   1.6900 1.045000 3.381000 
1 1 1   11    3   35 o   3.2360   1.5510      ?      ? 
1 1 1   11    4    0 o   67.280   0.8266 -0.000000 0.000000 
1 1 1   11    4    1 o   42.020   0.3652 -3.542000 0.7305000 
1 1 1   11    4    2 o   41.800   0.3989 -14.27000 0.7978000 
1 1 1   11    4    3 f   16.170   0.3892 4.294000 0.7785000 
1 1 1   11    4    4 o   41.440   0.3911 -3.671000 0.7821000 
1 1 1   11    4    5 o  108.500   0.9276 5.587000 1.855000 
1 1 1   11    4    6 o   94.610   0.8111 0.9186000 1.622000 
1 1 1   11    4    7 o   84.300   0.7256 -0.3165000 1.451000 
1 1 1   11    4    8 o   48.540   0.4433 2.787000 0.8865000 
1 1 1   11    4    9 o   94.690   0.8130 -0.4299000 1.626000 
1 1 1   11    4   10 o  125.000   1.0680 7.557000 2.136000 
1 1 1   11    4   11 f  106.900   0.9156 0.6127000 1.831000 
1 1 1   11    4   12 o   25.320   0.4004 -1.172000 0.8008000 
1 1 1   11    4   13 o   33.990   0.3627 0.1850000 0.7254000 
1 1 1   11    4   14 o   24.990   0.4287 -3.320000 0.8573000 
1 1 1   11    4   15 o   26.980   0.3520 -0.2980000 0.7040000 
1 1 1   11    4   16 o   20.420   0.3982 5.324000 0.7964000 
1 1 1   11    4   17 o   7.2550   1.1010 -3.336000 2.203000 
1 1 1   11    4   18 o   33.110   0.3702 1.112000 0.7404000 
1 1 1   11    4   19 o   9.8030   0.8226 2.178000 1.645000 
1 1 1   11    4   20 o   35.410   0.4766 -0.6797000 0.9532000 
1 1 1   11    4   21 o   67.900   0.6689 2.403000 1.338000 
1 1 1   11    4   22 o   31.020   0.4460 -0.7152000 0.8920000 
1 1 1   11    4   23 o   59.040   0.6009 -0.7522000 1.202000 
1 1 1   11    4   24 o   84.380   0.8260 -3.558000 1.652000 
1 1 1   11    4   25 o   22.150   0.5605 1.557000 1.121000 
1 1 1   11    4   26 o   24.940   0.5454 2.134000 1.091000 
1 1 1   11    4   27 f   15.310   0.8451 -1.160000 1.690000 
1 1 1   11    4   28 o   38.490   0.5255 -0.5774000 1.051000 
1 1 1   11    4   29 o   26.410   0.5936 -0.9069000 1.187000 
1 1 1   11    4   30 o   11.230   2.1030      ?      ? 
1 1 1   11    4   31 o   10.240   1.4290 0.7911000 2.858000 
1 1 1   11    4   32 o   25.960   0.6898 -0.2999000E-01 1.380000 
1 1 1   11    4   33 o   21.550   0.8384 -1.047000 1.677000 
1 1 1   11    4   34 o   13.020   1.4130 -1.678000 2.826000 
1 1 1   11    4   35 f   5.0960   1.5800 -2.921000 3.160000 
1 1 1   11    5    0 o   61.100   0.6616 -0.000000 0.000000 
1 1 1   11    5    1 f   96.180   0.7157 5.138000 1.431000 
1 1 1   11    5    2 o   21.880   0.3425 7.813000 0.6850000 
1 1 1   11    5    3 f  116.100   0.9242 -9.545000 1.848000 
1 1 1   11    5    4 o   88.890   0.7158 -0.3515000 1.432000 
1 1 1   11    5    5 o   21.460   0.3823 8.497000 0.7647000 
1 1 1   11    5    6 o   58.610   0.4906 2.484000 0.9812000 
1 1 1   11    5    7 o   58.220   0.5209 -3.221000 1.042000 
1 1 1   11    5    8 o   86.550   0.7469 2.355000 1.494000 
1 1 1   11    5    9 o   92.490   0.7968 -4.628000 1.594000 
1 1 1   11    5   10 o   41.650   0.4145 -2.838000 0.8289000 
1 1 1   11    5   11 o   27.970   0.3806 -1.709000 0.7613000 
1 1 1   11    5   12 o   25.250   0.3858 1.155000 0.7715000 
1 1 1   11    5   13 o   23.320   0.4189 -8.519000 0.8377000 
1 1 1   11    5   14 o   21.970   0.4070 -0.5060000 0.8139000 
1 1 1   11    5   15 o   36.240   0.3898 2.905000 0.7796000 
1 1 1   11    5   16 o   41.440   0.4113 2.612000 0.8225000 
1 1 1   11    5   17 f   33.140   0.3846 -1.628000 0.7692000 
1 1 1   11    5   18 o   18.850   0.5276 0.8209000 1.055000 
1 1 1   11    5   19 o   26.820   0.4109 0.1201000E-01 0.8219000 
1 1 1   11    5   20 o   54.960   0.5688 1.217000 1.138000 
1 1 1   11    5   21 o   45.730   0.5075 -2.799000 1.015000 
1 1 1   11    5   22 o   29.500   0.4759 -1.143000 0.9517000 
1 1 1   11    5   23 o   46.320   0.5187 0.3174000 1.037000 
1 1 1   11    5   24 o   23.000   0.6053 -0.9132000 1.211000 
1 1 1   11    5   25 o   30.800   0.5114 -0.1093000E-01 1.023000 
1 1 1   11    5   26 o   14.110   1.1590      ?      ? 
1 1 1   11    5   27 o   28.100   0.5674 -0.3731000 1.135000 
1 1 1   11    5   28 o   15.480   1.0220 -1.725000 2.045000 
1 1 1   11    5   29 o   12.630   1.1890 -4.032000 2.377000 
1 1 1   11    5   30 o   12.800   1.1960 -0.8961000 2.393000 
1 1 1   11    5   31 o   13.900   1.1320 -1.435000 2.263000 
1 1 1   11    5   32 o   10.900   1.4240 -0.5680000 2.848000 
1 1 1   11    5   33 o   15.990   0.9487 0.8667000E-01 1.897000 
1 1 1   11    5   34 o   6.3570   1.6850 -0.1149000 3.370000 
1 1 1   11    5   35 o   8.8570   1.5810 -2.899000 3.162000 
1 1 1   11    6    0 o   97.110   1.0240 -0.000000 0.000000 
1 1 1   11    6    1 o   25.510   0.3496 7.224000 0.6992000 
1 1 1   11    6    2 o   73.550   0.5570 3.041000 1.114000 
1 1 1   11    6    3 o   68.840   0.5253 5.589000 1.051000 
1 1 1   11    6    4 o   57.530   0.4501 -2.203000 0.9002000 
1 1 1   11    6    5 o   41.360   0.3650 -3.727000 0.7300000 
1 1 1   11    6    6 o   75.500   0.6172 -0.9036000 1.234000 
1 1 1   11    6    7 f   60.510   0.5082 -2.262000 1.016000 
1 1 1   11    6    8 o   88.280   0.7146 -0.4618000 1.429000 
1 1 1   11    6    9 o   32.600   0.3754 2.662000 0.7508000 
1 1 1   11    6   10 o   9.9660   0.9234 5.773000 1.847000 
1 1 1   11    6   11 o   37.850   0.3849 -4.132000 0.7698000 
1 1 1   11    6   12 o   11.410   0.7481 0.9371000 1.496000 
1 1 1   11    6   13 o   38.920   0.3977 3.090000 0.7953000 
1 1 1   11    6   14 o   52.050   0.4865 -4.363000 0.9730000 
1 1 1   11    6   15 o   38.170   0.4163 6.916000 0.8325000 
1 1 1   11    6   16 o   9.8100   1.0680 4.350000 2.137000 
1 1 1   11    6   17 o   40.690   0.4290 0.9140000 0.8579000 
1 1 1   11    6   18 o   10.980   0.9250 2.601000 1.850000 
1 1 1   11    6   19 o   8.0050   1.3320 0.1894000 2.665000 
1 1 1   11    6   20 o   64.160   0.5800 -3.524000 1.160000 
1 1 1   11    6   21 o   26.080   0.5136 5.430000 1.027000 
1 1 1   11    6   22 o   16.710   0.6841 4.312000 1.368000 
1 1 1   11    6   23 o   34.420   0.5060 -3.533000 1.012000 
1 1 1   11    6   24 o   9.1850   1.5060 3.236000 3.011000 
1 1 1   11    6   25 o   41.180   0.5299 -2.304000 1.060000 
1 1 1   11    6   26 o   33.660   0.5996 2.030000 1.199000 
1 1 1   11    6   27 o   11.510   1.3700 1.877000 2.740000 
1 1 1   11    6   28 o   8.5910   1.6790 -3.593000 3.359000 
1 1 1   11    6   29 f   18.640   0.8845 0.7497000 1.769000 
1 1 1   11    6   30 o   28.030   0.6428 -0.6998000 1.286000 
1 1 1   11    6   31 o   23.900   0.7129 0.3550000 1.426000 
1 1 1   11    6   32 o   7.8370   1.8390 -2.310000 3.678000 
1 1 1   11    6   33 o   10.230   1.5470 3.001000 3.094000 
1 1 1   11    6   34 o   9.0120   2.1290      ?      ? 
1 1 1   11    7    0 o   36.680   0.5122 -0.000000 0.000000 
1 1 1   11    7    1 o   64.310   0.4993 -2.441000 0.9986000 
1 1 1   11    7    2 o   76.100   0.5779 1.145000 1.156000 
1 1 1   11    7    3 o  130.000   0.9640 8.052000 1.928000 
1 1 1   11    7    4 o   85.320   0.6422 3.133000 1.284000 
1 1 1   11    7    5 o   86.700   0.6518 -0.2696000 1.304000 
1 1 1   11    7    6 o   75.710   0.5759 -4.254000 1.152000 
1 1 1   11    7    7 o   65.390   0.5069 2.712000 1.014000 
1 1 1   11    7    8 o   19.590   0.4925 0.7174000 0.9850000 
1 1 1   11    7    9 o   51.880   0.4609 3.542000 0.9218000 
1 1 1   11    7   10 o   32.580   0.3923 -0.1849000 0.7845000 
1 1 1   11    7   11 o   20.410   0.4876 -1.139000 0.9753000 
1 1 1   11    7   12 o   30.500   0.4084 0.5555000 0.8169000 
1 1 1   11    7   13 o   42.810   0.4233 1.835000 0.8466000 
1 1 1   11    7   14 o   30.340   0.4430 0.7770000 0.8859000 
1 1 1   11    7   15 o   33.540   0.4088 3.585000 0.8175000 
1 1 1   11    7   16 o   23.060   0.5771 0.9843000 1.154000 
1 1 1   11    7   17 o   27.340   0.4393 1.966000 0.8787000 
1 1 1   11    7   18 o   50.710   0.5008 0.1044000 1.002000 
1 1 1   11    7   19 o   27.090   0.5388 -3.552000 1.078000 
1 1 1   11    7   20 o   24.610   0.6086 -0.7306000 1.217000 
1 1 1   11    7   21 o   7.6470   1.3120 -4.570000 2.623000 
1 1 1   11    7   22 o   30.900   0.4970 -3.349000 0.9940000 
1 1 1   11    7   23 o   30.150   0.4797 0.5148000 0.9595000 
1 1 1   11    7   24 o   26.850   0.5596 0.8030000 1.119000 
1 1 1   11    7   25 o   22.250   0.6581 -0.3340000 1.316000 
1 1 1   11    7   26 o   30.570   0.5521 -0.7764000E-01 1.104000 
1 1 1   11    7   27 o   28.270   0.5984 1.315000 1.197000 
1 1 1   11    7   28 o   10.820   1.4580 -2.522000 2.915000 
1 1 1   11    7   29 o   23.810   0.7012 -0.8297000E-01 1.402000 
1 1 1   11    7   30 o   4.3530   1.4380 -0.1222000 2.876000 
1 1 1   11    7   31 o   26.470   0.6463 -0.8254000 1.293000 
1 1 1   11    7   32 o   10.230   1.5230 5.647000 3.046000 
1 1 1   11    7   33 o   10.770   1.4350 -0.5745000 2.870000 
1 1 1   11    7   34 o   6.8580   1.6910 -0.5071000 3.382000 
1 1 1   11    8    0 o   58.850   0.6655 -0.000000 0.000000 
1 1 1   11    8    1 o  104.600   0.7803 -1.158000 1.561000 
1 1 1   11    8    2 o   50.360   0.4228 1.752000 0.8456000 
1 1 1   11    8    3 o   85.750   0.6474 4.810000 1.295000 
1 1 1   11    8    4 o   28.940   0.3840 -1.591000 0.7680000 
1 1 1   11    8    5 o   76.540   0.5842 3.779000 1.168000 
1 1 1   11    8    6 o   28.260   0.4341 -4.731000 0.8682000 
1 1 1   11    8    7 o   46.790   0.4062 3.456000 0.8125000 
1 1 1   11    8    8 o   40.940   0.4207 -3.079000 0.8414000 
1 1 1   11    8    9 f   54.070   0.4452 -1.831000 0.8904000 
1 1 1   11    8   10 o   62.270   0.6124 5.196000 1.225000 
1 1 1   11    8   11 o   34.440   0.4279 -5.626000 0.8557000 
1 1 1   11    8   12 o   16.270   0.6927 -0.3207000 1.385000 
1 1 1   11    8   13 o   23.020   0.5095 -1.614000 1.019000 
1 1 1   11    8   14 o   35.590   0.4297 3.406000 0.8594000 
1 1 1   11    8   15 f   36.410   0.4285 -0.4314000 0.8570000 
1 1 1   11    8   16 o   14.290   0.7618 -0.3607000 1.524000 
1 1 1   11    8   17 o   34.020   0.4352 2.011000 0.8704000 
1 1 1   11    8   18 o   15.510   0.7493 3.081000 1.499000 
1 1 1   11    8   19 o   39.370   0.4526 0.1883000 0.9052000 
1 1 1   11    8   20 o   12.510   1.1310 3.900000 2.262000 
1 1 1   11    8   21 o   18.800   0.8179 -2.228000 1.636000 
1 1 1   11    8   22 f   53.890   0.5831 3.908000 1.166000 
1 1 1   11    8   23 o   20.790   0.6894 -2.690000 1.379000 
1 1 1   11    8   24 o   31.420   0.5274 1.354000 1.055000 
1 1 1   11    8   25 o   33.770   0.5249 -0.8024000 1.050000 
1 1 1   11    8   26 f   28.250   0.6280 -0.8036000 1.256000 
1 1 1   11    8   27 o   15.170   1.1160 -0.6314000 2.232000 
1 1 1   11    8   28 o   12.490   1.3790 0.2652000 2.758000 
1 1 1   11    8   29 o   16.990   1.0150 0.5610000 2.030000 
1 1 1   11    8   30 o   7.0770   1.6690 3.891000 3.338000 
1 1 1   11    8   31 o   8.0740   1.6650 -5.113000 3.330000 
1 1 1   11    8   32 o   11.270   1.5100 -1.022000 3.020000 
1 1 1   11    8   33 o   9.9090   1.5920 -1.594000 3.184000 
1 1 1   11    9    0 o   13.810   1.0150 -0.000000 0.000000 
1 1 1   11    9    1 o   26.790   0.4317 1.949000 0.8634000 
1 1 1   11    9    2 o   25.070   0.4468 -2.326000 0.8936000 
1 1 1   11    9    3 o   34.740   0.4020 0.5418000E-01 0.8039000 
1 1 1   11    9    4 o   37.470   0.4004 -0.9602000 0.8009000 
1 1 1   11    9    5 o   21.930   0.4912 0.7774000 0.9825000 
1 1 1   11    9    6 o   8.3060   1.2090 -5.024000 2.419000 
1 1 1   11    9    7 o   11.810   0.8952 -2.501000 1.790000 
1 1 1   11    9    8 o   27.740   0.4278 -1.674000 0.8555000 
1 1 1   11    9    9 o   16.460   0.6404 3.781000 1.281000 
1 1 1   11    9   10 o   15.950   0.6618 2.782000 1.324000 
1 1 1   11    9   11 o   15.840   0.6833 -2.703000 1.367000 
1 1 1   11    9   12 f   19.110   0.6379 3.420000 1.276000 
1 1 1   11    9   13 f   18.580   0.6408 4.208000 1.282000 
1 1 1   11    9   14 o   47.340   0.4655 0.2810000 0.9310000 
1 1 1   11    9   15 o   25.080   0.5179 1.488000 1.036000 
1 1 1   11    9   16 o   5.5910   1.5060 0.7660000 3.011000 
1 1 1   11    9   17 o   32.910   0.5342 -4.081000 1.068000 
1 1 1   11    9   18 o   32.420   0.4899 0.3662000 0.9797000 
1 1 1   11    9   19 o   25.070   0.6642 -0.4529000 1.328000 
1 1 1   11    9   20 o   12.940   1.1540 1.984000 2.307000 
1 1 1   11    9   21 o   49.430   0.5028 3.342000 1.006000 
1 1 1   11    9   22 o   30.450   0.5414 1.565000 1.083000 
1 1 1   11    9   23 o   15.650   0.9560 3.603000 1.912000 
1 1 1   11    9   24 o   21.860   0.7337 1.278000 1.467000 
1 1 1   11    9   25 o   46.800   0.5277 -2.950000 1.055000 
1 1 1   11    9   26 o   26.690   0.6657 0.7529000 1.331000 
1 1 1   11    9   27 o   6.4070   1.7520 -1.420000 3.504000 
1 1 1   11    9   28 o   29.350   0.6826 -0.5751000 1.365000 
1 1 1   11    9   29 o   7.1610   1.7960 -3.500000 3.593000 
1 1 1   11    9   30 f   13.900   1.3030 2.050000 2.606000 
1 1 1   11    9   31 o   13.640   1.3200 -0.7042000 2.640000 
1 1 1   11    9   32 o   11.130   1.5640 0.6356000 3.128000 
1 1 1   11    9   33 o   9.7640   1.6540 -1.109000 3.308000 
1 1 1   11   10    0 o   28.450   0.6357 -0.000000 0.000000 
1 1 1   11   10    1 o   28.900   0.4481 3.935000 0.8962000 
1 1 1   11   10    2 o   42.690   0.4216 -0.2663000 0.8431000 
1 1 1   11   10    3 o   29.890   0.4389 -2.172000 0.8779000 
1 1 1   11   10    4 o   17.670   0.6397 -1.256000 1.279000 
1 1 1   11   10    5 o   16.880   0.6787 -0.9407000 1.357000 
1 1 1   11   10    6 o   20.990   0.5532 0.6685000 1.106000 
1 1 1   11   10    7 o   45.890   0.4321 0.8659000E-01 0.8642000 
1 1 1   11   10    8 o   24.760   0.5325 1.085000 1.065000 
1 1 1   11   10    9 o   14.320   0.9934 11.05000 1.987000 
1 1 1   11   10   10 o   21.330   0.5583 1.598000 1.117000 
1 1 1   11   10   11 f   29.230   0.4535 -0.1990000 0.9070000 
1 1 1   11   10   12 o   27.010   0.4833 2.797000 0.9666000 
1 1 1   11   10   13 o   21.370   0.5779 3.089000 1.156000 
1 1 1   11   10   14 o   29.170   0.5062 4.603000 1.012000 
1 1 1   11   10   15 o   20.820   0.7246 -4.902000 1.449000 
1 1 1   11   10   16 o   39.270   0.4760 0.2992000 0.9520000 
1 1 1   11   10   17 o   22.280   0.6546 -2.473000 1.309000 
1 1 1   11   10   18 o   36.000   0.5079 -1.830000 1.016000 
1 1 1   11   10   19 f   24.380   0.7535 2.289000 1.507000 
1 1 1   11   10   20 o   20.330   0.8901 2.332000 1.780000 
1 1 1   11   10   21 o   6.2190   1.7330 -1.248000 3.466000 
1 1 1   11   10   22 o   8.6620   1.6350 -3.625000 3.270000 
1 1 1   11   10   23 o   17.090   0.9986 4.858000 1.997000 
1 1 1   11   10   24 o   34.950   0.5862 -0.6813000 1.172000 
1 1 1   11   10   25 o   7.5540   1.9190 -1.472000 3.838000 
1 1 1   11   10   26 o   18.530   0.9811 0.7132000 1.962000 
1 1 1   11   10   27 o   10.570   1.7300 1.190000 3.460000 
1 1 1   11   10   28 o   7.4760   1.7210 -4.580000 3.443000 
1 1 1   11   10   29 o   16.630   1.3730 -0.5371000 2.745000 
1 1 1   11   10   30 o   11.880   1.6810 5.016000 3.362000 
1 1 1   11   10   31 o   21.990   0.8701 1.332000 1.740000 
1 1 1   11   10   32 o   9.2290   1.7560 2.714000 3.511000 
1 1 1   11   11    0 o   10.810   1.5690 -0.000000 0.000000 
1 1 1   11   11    1 o   10.590   1.1920 -3.499000 2.385000 
1 1 1   11   11    2 o   21.420   0.5930 3.203000 1.186000 
1 1 1   11   11    3 o   20.590   0.6163 5.123000 1.233000 
1 1 1   11   11    4 o   43.930   0.4407 -1.726000 0.8814000 
1 1 1   11   11    5 o   32.130   0.4565 2.469000 0.9131000 
1 1 1   11   11    6 o   32.010   0.4563 -2.536000 0.9126000 
1 1 1   11   11    7 o   37.000   0.4402 -0.4503000 0.8804000 
1 1 1   11   11    8 o   45.450   0.4765 3.150000 0.9531000 
1 1 1   11   11    9 o   58.880   0.4964 1.316000 0.9929000 
1 1 1   11   11   10 o   35.350   0.4494 4.669000 0.8988000 
1 1 1   11   11   11 o   22.030   0.5993 -1.063000 1.199000 
1 1 1   11   11   12 o   35.390   0.4558 0.9535000 0.9116000 
1 1 1   11   11   13 o   16.570   0.8360 -0.7452000 1.672000 
1 1 1   11   11   14 o   19.780   0.7241 -0.2281000 1.448000 
1 1 1   11   11   15 o   35.530   0.4678 0.9566000E-01 0.9356000 
1 1 1   11   11   16 o   12.170   1.3300 9.280000 2.660000 
1 1 1   11   11   17 o   9.4640   1.6990 -3.285000 3.397000 
1 1 1   11   11   18 o   39.790   0.5253 0.7433000 1.051000 
1 1 1   11   11   19 o   11.530   1.6140 2.395000 3.228000 
1 1 1   11   11   20 o   18.250   0.9213 2.422000 1.843000 
1 1 1   11   11   21 o   12.520   1.3870 0.4717000 2.774000 
1 1 1   11   11   22 o   30.200   0.6394 1.690000 1.279000 
1 1 1   11   11   23 o   46.870   0.5569 -2.089000 1.114000 
1 1 1   11   11   24 o   35.310   0.6195 -1.256000 1.239000 
1 1 1   11   11   25 o   24.140   0.8566 -4.087000 1.713000 
1 1 1   11   11   26 o   22.600   1.0200 -1.104000 2.040000 
1 1 1   11   11   27 o   15.700   1.2750 -1.152000 2.550000 
1 1 1   11   11   28 o   6.8850   1.8980 -1.163000 3.797000 
1 1 1   11   11   29 o   12.080   1.6480 0.6176000 3.296000 
1 1 1   11   11   30 o   13.260   1.5630 -2.275000 3.127000 
1 1 1   11   11   31 o   12.640   1.5340 1.330000 3.068000 
1 1 1   11   11   32 o   8.4390   1.9150 -0.2288000 3.829000 
1 1 1   11   12    0 o   19.220   0.9804 -0.000000 0.000000 
1 1 1   11   12    1 o   36.030   0.4545 0.1344000 0.9090000 
1 1 1   11   12    2 o   47.100   0.4591 2.027000 0.9182000 
1 1 1   11   12    3 o   15.460   0.8434 1.915000 1.687000 
1 1 1   11   12    4 o   18.170   0.7352 0.6877000E-01 1.470000 
1 1 1   11   12    5 o   35.800   0.4672 -4.888000 0.9344000 
1 1 1   11   12    6 o   28.420   0.5151 -1.592000 1.030000 
1 1 1   11   12    7 o   44.250   0.4617 -3.702000 0.9234000 
1 1 1   11   12    8 o   23.580   0.5956 -0.4090000 1.191000 
1 1 1   11   12    9 o   45.280   0.4661 -0.2703000 0.9322000 
1 1 1   11   12   10 o   18.310   0.7506 1.784000 1.501000 
1 1 1   11   12   11 o   21.500   0.6669 -1.447000 1.334000 
1 1 1   11   12   12 o   26.800   0.6616 3.990000 1.323000 
1 1 1   11   12   13 o   27.000   0.7119 -1.846000 1.424000 
1 1 1   11   12   14 o   44.680   0.4769 0.4156000 0.9538000 
1 1 1   11   12   15 o   36.620   0.4968 1.501000 0.9936000 
1 1 1   11   12   16 o   36.950   0.4976 0.4558000 0.9953000 
1 1 1   11   12   17 o   19.340   0.9597 -1.076000 1.919000 
1 1 1   11   12   18 o   19.100   1.0600 -0.8944000 2.120000 
1 1 1   11   12   19 o   35.340   0.5833 -0.7295000 1.167000 
1 1 1   11   12   20 o   14.960   1.2360 1.040000 2.473000 
1 1 1   11   12   21 o   9.0720   1.7700 -4.226000 3.540000 
1 1 1   11   12   22 o   45.960   0.5750 0.1724000 1.150000 
1 1 1   11   12   23 o   20.020   0.9963 0.9746000 1.993000 
1 1 1   11   12   24 o   10.470   1.9030 -1.652000 3.807000 
1 1 1   11   12   25 o   7.9160   1.9520 -2.077000 3.905000 
1 1 1   11   12   26 o   6.9970   1.9850 2.474000 3.970000 
1 1 1   11   12   27 o   12.640   1.6710 4.401000 3.342000 
1 1 1   11   12   28 o   6.1510   1.8370 -0.9500000 3.674000 
1 1 1   11   12   29 o   8.8220   1.9530 2.967000 3.906000 
1 1 1   11   12   30 f   7.2520   1.9180 -0.2977000E-02 3.836000 
1 1 1   11   12   31 o   7.4460   1.8940 2.338000 3.788000 
1 1 1   11   13    0 f   27.540   0.8033 -0.000000 0.000000 
1 1 1   11   13    1 o   34.170   0.4947 -2.164000 0.9894000 
1 1 1   11   13    2 o   43.960   0.4733 0.7401000 0.9465000 
1 1 1   11   13    3 o   30.380   0.5219 0.5901000 1.044000 
1 1 1   11   13    4 o   46.390   0.4760 0.5700000E-01 0.9521000 
1 1 1   11   13    5 o   45.280   0.4777 0.7995000 0.9554000 
1 1 1   11   13    6 o   57.670   0.5143 -5.695000 1.029000 
1 1 1   11   13    7 o   16.380   0.9212 3.786000 1.842000 
1 1 1   11   13    8 o   50.750   0.4922 -2.491000 0.9844000 
1 1 1   11   13    9 o   34.080   0.5170 1.078000 1.034000 
1 1 1   11   13   10 o   36.000   0.5014 -2.639000 1.003000 
1 1 1   11   13   11 f   31.050   0.5408 -1.999000 1.082000 
1 1 1   11   13   12 o   42.000   0.4927 -2.770000 0.9853000 
1 1 1   11   13   13 o   40.450   0.4966 -0.3924000 0.9933000 
1 1 1   11   13   14 o   33.010   0.5389 2.894000 1.078000 
1 1 1   11   13   15 o   12.900   1.3180 6.401000 2.636000 
1 1 1   11   13   16 o   19.750   0.8939 3.433000 1.788000 
1 1 1   11   13   17 o   18.520   0.9972 0.4238000 1.994000 
1 1 1   11   13   18 o   41.840   0.5318 -1.706000 1.064000 
1 1 1   11   13   19 o   16.920   1.1310 -0.2321000 2.262000 
1 1 1   11   13   20 o   12.160   1.6370 2.222000 3.274000 
1 1 1   11   13   21 o   8.9070   1.9280 3.334000 3.857000 
1 1 1   11   13   22 o   21.020   1.0070 2.341000 2.015000 
1 1 1   11   13   23 o   30.800   0.7511 0.3437000 1.502000 
1 1 1   11   13   24 o   5.8570   1.8030 -1.616000 3.606000 
1 1 1   11   13   25 o   17.650   1.2850 6.850000 2.571000 
1 1 1   11   13   26 o   24.540   0.9033 2.978000 1.807000 
1 1 1   11   13   27 o   5.8870   1.7910 2.877000 3.581000 
1 1 1   11   13   28 o   8.6650   1.9640 -2.315000 3.928000 
1 1 1   11   13   29 o   13.290   1.5670 -2.517000 3.135000 
1 1 1   11   13   30 o   9.4630   1.9280 -3.119000 3.857000 
1 1 1   11   14    0 o   22.440   0.9981 -0.000000 0.000000 
1 1 1   11   14    1 o   44.220   0.4950 -0.8857000 0.9899000 
1 1 1   11   14    2 o   42.200   0.5017 0.5254000E-01 1.003000 
1 1 1   11   14    3 o   26.740   0.6197 0.9903000 1.239000 
1 1 1   11   14    4 o   36.660   0.5159 0.6912000 1.032000 
1 1 1   11   14    5 o   19.750   0.8043 -0.9026000 1.609000 
1 1 1   11   14    6 o   33.600   0.5440 -1.245000 1.088000 
1 1 1   11   14    7 o   36.330   0.5328 -1.540000 1.066000 
1 1 1   11   14    8 o   43.920   0.5049 -5.017000 1.010000 
1 1 1   11   14    9 o   25.570   0.6611 1.639000 1.322000 
1 1 1   11   14   10 o   29.030   0.6416 0.1184000 1.283000 
1 1 1   11   14   11 o   17.400   1.0400 3.173000 2.081000 
1 1 1   11   14   12 o   27.370   0.6981 1.537000 1.396000 
1 1 1   11   14   13 o   9.0040   1.7080 2.740000 3.417000 
1 1 1   11   14   14 o   22.320   0.7755 1.527000 1.551000 
1 1 1   11   14   15 o   15.550   1.2150 -0.1188000 2.430000 
1 1 1   11   14   16 o   23.110   0.7922 1.365000 1.584000 
1 1 1   11   14   17 o   24.280   0.8593 -3.544000 1.719000 
1 1 1   11   14   18 o   12.130   1.5720 -6.836000 3.145000 
1 1 1   11   14   19 o   12.130   1.6210 4.041000 3.243000 
1 1 1   11   14   20 o   17.940   1.1860 1.944000 2.371000 
1 1 1   11   14   21 o   9.8450   1.9870 -2.912000 3.974000 
1 1 1   11   14   22 o   33.600   0.7306 -0.9824000E-01 1.461000 
1 1 1   11   14   23 o   8.4110   2.0870 -0.2864000E-01 4.173000 
1 1 1   11   14   24 o   12.770   1.7790 6.123000 3.559000 
1 1 1   11   14   25 o   8.9520   2.0090 4.174000 4.017000 
1 1 1   11   14   26 o   11.070   1.8840 5.152000 3.768000 
1 1 1   11   14   27 o   8.7880   1.9880 3.365000 3.977000 
1 1 1   11   14   28 o   9.7980   1.8600 -3.955000 3.720000 
1 1 1   11   14   29 o   5.1440   1.6680 0.1846000 3.336000 
1 1 1   11   15    0 o   19.550   1.2400 -0.000000 0.000000 
1 1 1   11   15    1 o   17.920   0.9546 2.191000 1.909000 
1 1 1   11   15    2 o   31.060   0.5929 -0.3218000 1.186000 
1 1 1   11   15    3 o   50.490   0.5211 0.5462000 1.042000 
1 1 1   11   15    4 o   27.760   0.6534 -0.3414000 1.307000 
1 1 1   11   15    5 o   24.180   0.8025 -1.545000 1.605000 
1 1 1   11   15    6 o   13.920   1.2590 2.529000 2.518000 
1 1 1   11   15    7 o   8.1570   1.7660 3.366000 3.532000 
1 1 1   11   15    8 o   47.020   0.5307 -1.375000 1.061000 
1 1 1   11   15    9 o   42.180   0.5339 0.8173000 1.068000 
1 1 1   11   15   10 o   29.230   0.6518 0.4911000 1.304000 
1 1 1   11   15   11 o   11.880   1.5160 -1.894000 3.031000 
1 1 1   11   15   12 o   13.850   1.3090 -2.455000 2.617000 
1 1 1   11   15   13 o   10.160   1.7580 -2.445000 3.517000 
1 1 1   11   15   14 o   21.310   0.8715 0.6676000E-01 1.743000 
1 1 1   11   15   15 o   11.410   1.6780 1.875000 3.355000 
1 1 1   11   15   16 o   18.950   1.0180 2.253000 2.035000 
1 1 1   11   15   17 o   9.2600   1.9070 -1.581000 3.814000 
1 1 1   11   15   18 f   25.420   0.8101 -0.3408000 1.620000 
1 1 1   11   15   19 o   19.980   1.0220 0.3962000 2.044000 
1 1 1   11   15   20 o   14.870   1.4430 1.477000 2.886000 
1 1 1   11   15   21 o   31.000   0.7931 -0.5200000 1.586000 
1 1 1   11   15   22 o   8.5680   2.0180 4.455000 4.036000 
1 1 1   11   15   23 o   10.710   1.7730 -7.948000 3.546000 
1 1 1   11   15   24 o   7.7690   1.8150 6.937000 3.629000 
1 1 1   11   15   25 o   10.980   1.9560 3.890000 3.912000 
1 1 1   11   15   26 o   13.770   1.6340 -0.8904000 3.268000 
1 1 1   11   15   27 o   12.360   1.7760 -0.4075000 3.552000 
1 1 1   11   15   28 o   6.7680   1.8680 -2.516000 3.737000 
1 1 1   11   16    0 o   12.730   2.3830 -0.000000 0.000000 
1 1 1   11   16    1 o   43.990   0.6394 -0.6014000 1.279000 
1 1 1   11   16    2 o   29.940   0.7175 3.556000 1.435000 
1 1 1   11   16    3 o   21.090   0.8648 -2.494000 1.730000 
1 1 1   11   16    4 o   10.940   1.6610 -3.188000 3.322000 
1 1 1   11   16    5 o   40.580   0.5579 -0.2843000 1.116000 
1 1 1   11   16    6 o   39.460   0.5622 -1.189000 1.124000 
1 1 1   11   16    7 o   21.470   0.8753 0.4839000 1.751000 
1 1 1   11   16    8 o   18.570   1.0310 2.141000 2.061000 
1 1 1   11   16    9 o   9.0340   1.8380 -3.760000 3.676000 
1 1 1   11   16   10 o   17.470   1.1140 -1.247000 2.229000 
1 1 1   11   16   11 o   10.460   1.8180 -0.7774000 3.636000 
1 1 1   11   16   12 o   25.960   0.7794 -1.104000 1.559000 
1 1 1   11   16   13 o   30.270   0.6976 -0.6064000 1.395000 
1 1 1   11   16   14 o   15.050   1.4720 -0.8550000 2.943000 
1 1 1   11   16   15 o   13.090   1.6200 -6.325000 3.239000 
1 1 1   11   16   16 o   17.030   1.2200 -3.010000 2.439000 
1 1 1   11   16   17 o   14.900   1.4570 3.123000 2.914000 
1 1 1   11   16   18 o   11.610   1.8280 7.371000 3.656000 
1 1 1   11   16   19 o   8.2110   2.0540 -0.4552000 4.108000 
1 1 1   11   16   20 o   16.870   1.3360 -4.219000 2.672000 
1 1 1   11   16   21 o   10.850   1.8720 5.242000 3.745000 
1 1 1   11   16   22 o   5.8870   1.8140 -2.242000 3.627000 
1 1 1   11   16   23 o   10.590   2.0700 1.003000 4.140000 
1 1 1   11   16   24 o   14.550   1.6370 5.392000 3.275000 
1 1 1   11   16   25 o   9.2840   1.9170 6.454000 3.834000 
1 1 1   11   16   26 o   13.080   1.7380 3.835000 3.477000 
1 1 1   11   16   27 o   6.9100   1.9490 -0.4588000 3.899000 
1 1 1   11   17    0 o   14.340   1.9230 -0.000000 0.000000 
1 1 1   11   17    1 f   15.680   1.3190 6.412000 2.638000 
1 1 1   11   17    2 o   9.0360   1.7790 -6.701000 3.558000 
1 1 1   11   17    3 o   28.520   0.7149 0.2793000 1.430000 
1 1 1   11   17    4 o   29.680   0.6987 -0.2811000 1.397000 
1 1 1   11   17    5 o   16.110   1.3820 0.9367000 2.763000 
1 1 1   11   17    6 o   15.240   1.4030 -0.2932000 2.807000 
1 1 1   11   17    7 o   14.030   1.4540 -0.3914000 2.908000 
1 1 1   11   17    8 o   22.040   0.9290 2.179000 1.858000 
1 1 1   11   17    9 o   17.280   1.2590 5.326000 2.517000 
1 1 1   11   17   10 o   10.900   1.8730 1.665000 3.747000 
1 1 1   11   17   11 o   17.240   1.2420 -4.619000 2.484000 
1 1 1   11   17   12 o   7.9780   1.9950 1.719000 3.991000 
1 1 1   11   17   13 o   10.070   1.7770 6.675000 3.555000 
1 1 1   11   17   14 o   15.180   1.3930 0.1267000 2.786000 
1 1 1   11   17   15 o   20.110   1.0710 1.208000 2.141000 
1 1 1   11   17   16 o   13.350   1.6660 1.499000 3.331000 
1 1 1   11   17   17 o   21.550   1.0340 2.859000 2.068000 
1 1 1   11   17   18 o   9.6460   2.0580 0.7887000 4.115000 
1 1 1   11   17   19 o   7.1590   1.9780 -2.365000 3.955000 
1 1 1   11   17   20 o   18.840   1.1890 2.062000 2.379000 
1 1 1   11   17   21 o   14.670   1.5480 4.611000 3.095000 
1 1 1   11   17   22 o   6.2340   1.8880 0.1285000 3.776000 
1 1 1   11   17   23 o   8.0160   2.0110 -2.278000 4.023000 
1 1 1   11   17   24 o   9.6610   2.1100 -0.5519000 4.219000 
1 1 1   11   17   25 o   8.2210   2.0690 -1.035000 4.137000 
1 1 1   11   17   26 f   5.0820   1.6840 0.2841000 3.369000 
1 1 1   11   18    0 o   18.420   1.6060 -0.000000 0.000000 
1 1 1   11   18    1 o   24.920   0.8632 1.888000 1.726000 
1 1 1   11   18    2 o   18.350   1.1500 1.028000 2.300000 
1 1 1   11   18    3 o   10.680   1.8870 -3.841000 3.773000 
1 1 1   11   18    4 o   10.570   1.9100 2.164000 3.821000 
1 1 1   11   18    5 o   27.630   0.8060 -0.2101000 1.612000 
1 1 1   11   18    6 o   9.4920   1.8800 5.294000 3.760000 
1 1 1   11   18    7 o   14.730   1.4860 -0.8908000 2.971000 
1 1 1   11   18    8 o   18.550   1.1960 4.228000 2.393000 
1 1 1   11   18    9 o   11.040   1.9360 2.662000 3.871000 
1 1 1   11   18   10 o   22.640   1.0020 0.4038000 2.004000 
1 1 1   11   18   11 o   25.590   0.8917 -1.207000 1.783000 
1 1 1   11   18   12 o   25.160   0.8924 -0.1971000 1.785000 
1 1 1   11   18   13 o   8.3570   2.0620 -2.287000 4.125000 
1 1 1   11   18   14 o   18.610   1.2130 -0.8494000 2.426000 
1 1 1   11   18   15 o   8.1570   2.0930 -0.6001000 4.187000 
1 1 1   11   18   16 o   9.8160   2.1000 0.8366000 4.200000 
1 1 1   11   18   17 o   10.130   2.0120 3.777000 4.024000 
1 1 1   11   18   18 o   9.5450   1.9380 5.575000 3.875000 
1 1 1   11   18   19 o   6.2450   1.9120 -0.7946000 3.824000 
1 1 1   11   18   20 o   5.9300   1.8510 0.7365000 3.703000 
1 1 1   11   18   21 o   8.0470   2.0520 0.3974000 4.105000 
1 1 1   11   18   22 o   5.9840   1.8240 2.116000 3.648000 
1 1 1   11   18   23 o   8.2940   1.9480 4.034000 3.895000 
1 1 1   11   18   24 o   8.3960   1.9780 2.451000 3.957000 
1 1 1   11   19    0 o   11.960   2.6880 -0.000000 0.000000 
1 1 1   11   19    1 o   17.340   1.3050 1.676000 2.609000 
1 1 1   11   19    2 o   7.3270   2.0330 -0.1251000 4.066000 
1 1 1   11   19    3 o   17.430   1.3020 0.2930000E-01 2.604000 
1 1 1   11   19    4 o   16.040   1.5430 6.984000 3.085000 
1 1 1   11   19    5 o   19.510   1.1820 0.3721000E-01 2.364000 
1 1 1   11   19    6 o   19.020   1.2530 -5.007000 2.507000 
1 1 1   11   19    7 o   14.580   1.6350 -2.020000 3.270000 
1 1 1   11   19    8 o   16.340   1.4480 -2.756000 2.896000 
1 1 1   11   19    9 o   18.870   1.2610 -0.7859000 2.521000 
1 1 1   11   19   10 o   7.3030   2.0080 2.976000 4.016000 
1 1 1   11   19   11 o   24.940   0.9744 2.423000 1.949000 
1 1 1   11   19   12 o   13.610   1.7720 -4.021000 3.544000 
1 1 1   11   19   13 f   10.970   2.0060 -2.817000 4.013000 
1 1 1   11   19   14 o   6.5200   1.9360 -2.307000 3.873000 
1 1 1   11   19   15 o   6.8830   2.0030 0.9844000 4.005000 
1 1 1   11   19   16 o   7.7180   2.0530 -2.531000 4.107000 
1 1 1   11   19   17 o   11.010   1.8610 6.217000 3.722000 
1 1 1   11   19   18 o   6.8390   1.9320 -3.124000 3.864000 
1 1 1   11   19   19 o   6.7530   1.9720 0.7986000 3.945000 
1 1 1   11   19   20 o   9.6440   2.0410 1.885000 4.081000 
1 1 1   11   19   21 o   9.8340   1.8550 5.890000 3.709000 
1 1 1   11   19   22 f   10.950   1.9210 -1.503000 3.843000 
1 1 1   11   19   23 o   10.280   1.8630 -5.228000 3.727000 
1 1 1   11   20    0 o   16.830   2.0400 -0.000000 0.000000 
1 1 1   11   20    1 o   8.8890   2.0810 -3.860000 4.163000 
1 1 1   11   20    2 o   12.000   2.0070 -0.9342000 4.013000 
1 1 1   11   20    3 o   10.760   2.1050 2.852000 4.209000 
1 1 1   11   20    4 o   7.1320   2.0710 -0.1398000 4.143000 
1 1 1   11   20    5 o   13.780   1.8070 1.102000 3.615000 
1 1 1   11   20    6 o   13.670   1.8520 0.4585000 3.704000 
1 1 1   11   20    7 o   27.870   0.8970 -0.7767000 1.794000 
1 1 1   11   20    8 o   25.520   0.9719 -1.372000 1.944000 
1 1 1   11   20    9 o   17.300   1.4070 -1.381000 2.814000 
1 1 1   11   20   10 o   15.520   1.6330 3.313000 3.266000 
1 1 1   11   20   11 o   14.680   1.6890 -3.207000 3.379000 
1 1 1   11   20   12 o   11.520   2.0190 -3.190000 4.039000 
1 1 1   11   20   13 o   7.3600   2.0790 0.6312000 4.157000 
1 1 1   11   20   14 o   19.010   1.2300 2.499000 2.460000 
1 1 1   11   20   15 f   10.450   2.0560 0.4359000 4.112000 
1 1 1   11   20   16 o   10.510   2.0300 2.505000 4.060000 
1 1 1   11   20   17 o   7.4750   2.0440 -1.382000 4.087000 
1 1 1   11   20   18 o   6.1280   1.8560 -2.404000 3.712000 
1 1 1   11   20   19 o   9.4480   2.0730 1.073000 4.145000 
1 1 1   11   20   20 o   8.5760   2.0650 -1.337000 4.130000 
1 1 1   11   20   21 o   7.2740   1.9570 -2.732000 3.915000 
1 1 1   11   21    0 o   9.2360   3.1140 -0.000000 0.000000 
1 1 1   11   21    1 o   13.650   1.8620 0.3642000 3.725000 
1 1 1   11   21    2 o   8.1880   2.1770 0.9984000 4.354000 
1 1 1   11   21    3 o   5.1910   1.7420 -0.8618000 3.484000 
1 1 1   11   21    4 o   8.7060   2.1540 3.215000 4.309000 
1 1 1   11   21    5 o   13.370   1.9200 -0.5497000 3.840000 
1 1 1   11   21    6 o   12.040   2.0260 3.125000 4.053000 
1 1 1   11   21    7 o   12.570   1.9910 0.5924000 3.981000 
1 1 1   11   21    8 o   10.900   2.1590 -0.6137000 4.317000 
1 1 1   11   21    9 o   11.470   2.0980 -1.816000 4.196000 
1 1 1   11   21   10 o   6.8550   1.9250 -4.715000 3.851000 
1 1 1   11   21   11 o   7.3820   2.0760 -1.992000 4.152000 
1 1 1   11   21   12 o   7.9910   1.9170 5.785000 3.833000 
1 1 1   11   21   13 o   8.2010   2.0270 -4.162000 4.054000 
1 1 1   11   21   14 o   9.1830   2.0470 3.449000 4.094000 
1 1 1   11   21   15 o   10.850   2.0280 0.9932000E-01 4.056000 
1 1 1   11   21   16 o   8.4570   2.0970 -1.214000 4.195000 
1 1 1   11   21   17 o   6.2990   1.9200 -0.6216000 3.840000 
1 1 1   11   21   18 o   8.3850   1.7610 -7.028000 3.521000 
1 1 1   11   21   19 o   8.2190   2.0440 -2.642000 4.089000 
1 1 1   11   22    0 o   6.3220   2.8050 -0.000000 0.000000 
1 1 1   11   22    1 o   9.1310   2.1010 -4.498000 4.202000 
1 1 1   11   22    2 o   7.9530   2.1190 2.979000 4.238000 
1 1 1   11   22    3 o   9.2860   2.2460 0.4815000 4.493000 
1 1 1   11   22    4 o   13.970   1.9140 3.137000 3.828000 
1 1 1   11   22    5 o   13.140   1.9680 -3.216000 3.935000 
1 1 1   11   22    6 f   10.210   2.0640 -5.530000 4.128000 
1 1 1   11   22    7 o   7.1780   2.0350 -3.004000 4.071000 
1 1 1   11   22    8 o   8.1550   2.0630 4.119000 4.125000 
1 1 1   11   22    9 o   6.8170   2.0330 -0.6521000 4.067000 
1 1 1   11   22   10 o   5.9100   1.8380 -3.106000 3.676000 
1 1 1   11   22   11 o   10.940   1.9540 5.429000 3.907000 
1 1 1   11   22   12 o   7.7580   1.9010 -5.461000 3.801000 
1 1 1   11   22   13 o   4.9330   1.6600 -0.5754000 3.319000 
1 1 1   11   22   14 o   8.4300   2.0930 -0.7039000E-01 4.187000 
1 1 1   11   22   15 o   8.1810   2.0220 2.171000 4.043000 
1 1 1   11   22   16 o   5.5460   1.7680 -0.5242000E-01 3.535000 
1 1 1   11   23    0 o   8.2600   3.1250 -0.000000 0.000000 
1 1 1   11   23    1 o   9.2800   2.1730 3.128000 4.346000 
1 1 1   11   23    2 o   6.8940   2.0430 -1.751000 4.086000 
1 1 1   11   23    3 f   7.2270   2.1010 1.257000 4.203000 
1 1 1   11   23    4 o   7.3810   2.0710 3.205000 4.143000 
1 1 1   11   23    5 o   11.030   2.1460 -1.191000 4.292000 
1 1 1   11   23    6 o   6.8760   2.0510 0.8501000 4.102000 
1 1 1   11   23    7 o   8.9370   2.1950 1.284000 4.391000 
1 1 1   11   23    8 o   5.3620   1.7750 0.4814000 3.550000 
1 1 1   11   23    9 o   7.8160   1.9650 -4.833000 3.931000 
1 1 1   11   23   10 o   7.5870   2.0650 -1.979000 4.130000 
1 1 1   11   23   11 o   9.9880   1.6800 10.37000 3.360000 
1 1 1   11   23   12 o   6.3940   1.8830 1.604000 3.765000 
1 1 1   11   23   13 o   5.0330   1.6400 1.801000 3.280000 
1 1 1   11   24    0 o   7.4970   3.0050 -0.000000 0.000000 
1 1 1   11   24    1 o   8.9280   2.2070 -0.8048000 4.413000 
1 1 1   11   24    2 o   7.8130   2.1610 0.5136000 4.321000 
1 1 1   11   24    3 o   8.2540   2.1910 -0.5720000 4.382000 
1 1 1   11   24    4 o   6.6770   2.0090 -1.516000 4.017000 
1 1 1   11   24    5 o   10.590   2.1180 2.101000 4.236000 
1 1 1   11   24    6 o   7.8460   2.1050 -1.461000 4.209000 
1 1 1   11   24    7 o   7.0410   2.0250 -0.1936000 4.051000 
1 1 1   11   24    8 f   8.4790   1.9750 4.477000 3.950000 
1 1 1   11   24    9 o   8.1740   1.8890 5.415000 3.779000 
1 1 1   12    0    0 o  177.300   2.6100 -0.000000 0.000000 
1 1 1   12    0    1 o  127.100   1.3250 -0.000000 0.000000 
1 1 1   12    0    2 o   14.680   0.2858 -0.000000 0.000000 
1 1 1   12    0    3 o   46.460   0.4951 -0.000000 0.000000 
1 1 1   12    0    4 o   6.0610   0.6609 -0.000000 0.000000 
1 1 1   12    0    5 o   41.590   0.5167 -0.000000 0.000000 
1 1 1   12    0    6 o   13.250   0.3478 -0.000000 0.000000 
1 1 1   12    0    7 o  136.900   1.6520 -0.000000 0.000000 
1 1 1   12    0    8 o   50.650   0.6229 -0.000000 0.000000 
1 1 1   12    0    9 o   66.640   0.8158 -0.000000 0.000000 
1 1 1   12    0   10 o   9.6740   0.5439 -0.000000 0.000000 
1 1 1   12    0   11 o   39.000   0.6396 -0.000000 0.000000 
1 1 1   12    0   12 o   90.430   1.8990 -0.000000 0.000000 
1 1 1   12    0   13 o   86.040   1.8100 -0.000000 0.000000 
1 1 1   12    0   14 o   59.400   1.2740 -0.000000 0.000000 
1 1 1   12    0   15 o   89.450   1.8790 -0.000000 0.000000 
1 1 1   12    0   16 f   39.080   0.9197 -0.000000 0.000000 
1 1 1   12    0   17 o   3.2640   1.5780 -0.000000 0.000000 
1 1 1   12    0   18 o   8.2710   2.0700 -0.000000 0.000000 
1 1 1   12    0   19 o   29.130   0.9157 -0.000000 0.000000 
1 1 1   12    0   20 o   47.400   1.1030 -0.000000 0.000000 
1 1 1   12    0   21 o   47.880   1.1260 -0.000000 0.000000 
1 1 1   12    0   22 o   60.860   0.7972 -0.000000 0.000000 
1 1 1   12    0   23 o   14.780   0.5156 -0.000000 0.000000 
1 1 1   12    0   24 o   22.480   0.4579 -0.000000 0.000000 
1 1 1   12    0   25 o   20.180   0.6465 -0.000000 0.000000 
1 1 1   12    0   26 o   21.720   0.4894 -0.000000 0.000000 
1 1 1   12    0   27 o   26.180   0.5051 -0.000000 0.000000 
1 1 1   12    0   28 o   16.960   0.6591 -0.000000 0.000000 
1 1 1   12    0   29 o   30.410   0.5529 -0.000000 0.000000 
1 1 1   12    0   30 o   27.280   0.5661 -0.000000 0.000000 
1 1 1   12    0   31 o   14.940   0.8525 -0.000000 0.000000 
1 1 1   12    0   32 o   21.030   0.7086 -0.000000 0.000000 
1 1 1   12    0   33 o   13.060   0.9639 -0.000000 0.000000 
1 1 1   12    0   34 o   3.9820   1.7010 -0.000000 0.000000 
1 1 1   12    0   35 o   7.7880   1.5780 -0.000000 0.000000 
1 1 1   12    1    0 o   69.630   1.0330 -0.000000 0.000000 
1 1 1   12    1    1 o   75.780   0.7933 -2.189000 1.587000 
1 1 1   12    1    2 o   82.650   0.8644 4.248000 1.729000 
1 1 1   12    1    3 o   17.050   0.2924 -1.727000 0.5849000 
1 1 1   12    1    4 o  125.200   1.3060 3.525000 2.611000 
1 1 1   12    1    5 o  117.800   1.2290 -3.597000 2.458000 
1 1 1   12    1    6 o   21.980   0.3159 4.863000 0.6318000 
1 1 1   12    1    7 o   20.090   0.3165 -4.453000 0.6330000 
1 1 1   12    1    8 o   41.450   0.4553 3.133000 0.9107000 
1 1 1   12    1    9 o  132.700   1.3870 0.1894000 2.774000 
1 1 1   12    1   10 o   71.790   0.6900 3.284000 1.380000 
1 1 1   12    1   11 o  119.400   1.1490 -1.096000 2.298000 
1 1 1   12    1   12 o   49.920   0.4978 2.578000 0.9956000 
1 1 1   12    1   13 o   37.880   0.6138      ?      ? 
1 1 1   12    1   14 o   18.410   0.3625 6.248000 0.7249000 
1 1 1   12    1   15 o   42.080   0.6003 -4.992000 1.201000 
1 1 1   12    1   16 o   19.560   0.5225      ?      ? 
1 1 1   12    1   17 o   20.920   0.5324      ?      ? 
1 1 1   12    1   18 o   42.790   0.6908      ?      ? 
1 1 1   12    1   19 o   19.720   0.6056      ?      ? 
1 1 1   12    1   20 o   75.740   0.9973 -2.946000 1.995000 
1 1 1   12    1   21 o   50.650   0.7062 1.650000 1.412000 
1 1 1   12    1   22 o   30.800   0.5974 4.478000 1.195000 
1 1 1   12    1   23 o   59.440   0.7725 -5.055000 1.545000 
1 1 1   12    1   24 o   41.520   0.4609 1.461000 0.9217000 
1 1 1   12    1   25 o   20.930   0.4140 -0.3934000 0.8281000 
1 1 1   12    1   26 o   21.910   0.4990 3.339000 0.9979000 
1 1 1   12    1   27 o   26.110   0.4301 -0.7072000 0.8601000 
1 1 1   12    1   28 o   30.650   0.4936 1.981000 0.9872000 
1 1 1   12    1   29 o   34.610   0.4010 0.2496000 0.8019000 
1 1 1   12    1   30 o   20.960   0.5089 0.5753000 1.018000 
1 1 1   12    1   31 o   21.070   0.4592 -0.3711000 0.9185000 
1 1 1   12    1   32 o   17.450   0.5365 1.916000 1.073000 
1 1 1   12    1   33 o   6.5380   1.2350 2.905000 2.470000 
1 1 1   12    1   34 o   11.990   0.7458 2.282000 1.492000 
1 1 1   12    1   35 o   8.1540   1.0990 -0.1790000 2.197000 
1 1 1   12    2    0 o   8.4780   0.7371 -0.000000 0.000000 
1 1 1   12    2    1 o   38.260   0.4247 1.830000 0.8494000 
1 1 1   12    2    2 o   41.090   0.4502 -4.333000 0.9003000 
1 1 1   12    2    3 o   72.100   0.7581 0.6396000 1.516000 
1 1 1   12    2    4 f  153.200   1.5970 -0.4187000 3.193000 
1 1 1   12    2    5 o  142.200   1.4820 3.842000 2.964000 
1 1 1   12    2    6 o   22.190   0.3491 -5.242000 0.6983000 
1 1 1   12    2    7 o   17.130   0.3458 0.4475000 0.6916000 
1 1 1   12    2    8 o  101.200   0.9715 -4.748000 1.943000 
1 1 1   12    2    9 o   55.940   0.5456 1.858000 1.091000 
1 1 1   12    2   10 o  170.500   1.6300 -5.076000 3.259000 
1 1 1   12    2   11 o   27.440   0.5131      ?      ? 
1 1 1   12    2   12 o   18.040   0.3349 3.355000 0.6697000 
1 1 1   12    2   13 f   31.410   0.3177 3.916000 0.6353000 
1 1 1   12    2   14 o   14.390   0.3382 4.247000 0.6765000 
1 1 1   12    2   15 o   23.620   0.2868 -0.4549000 0.5736000 
1 1 1   12    2   16 o   43.400   0.3963 -2.123000 0.7927000 
1 1 1   12    2   17 o   20.830   0.3391 1.990000 0.6783000 
1 1 1   12    2   18 o   64.680   0.6393 -2.661000 1.279000 
1 1 1   12    2   19 o   58.540   0.5812 2.944000 1.162000 
1 1 1   12    2   20 o   21.420   0.3813 4.968000 0.7627000 
1 1 1   12    2   21 f   33.970   0.4612 -5.517000 0.9223000 
1 1 1   12    2   22 o   47.110   0.5496 0.5824000 1.099000 
1 1 1   12    2   23 o   37.220   0.8905      ?      ? 
1 1 1   12    2   24 o   16.100   0.6785 1.865000 1.357000 
1 1 1   12    2   25 o   46.610   0.6653 -0.6808000E-01 1.331000 
1 1 1   12    2   26 o   7.1260   1.4380 -0.9977000 2.876000 
1 1 1   12    2   27 o   22.850   0.8444      ?      ? 
1 1 1   12    2   28 o   50.010   0.6026 -0.3420000 1.205000 
1 1 1   12    2   29 o   17.410   0.7580 0.7677000 1.516000 
1 1 1   12    2   30 o   14.440   0.7634 -0.1550000E-01 1.527000 
1 1 1   12    2   31 o   9.9790   1.1720 -3.198000 2.345000 
1 1 1   12    2   32 o   15.780   0.7331 -0.3514000 1.466000 
1 1 1   12    2   33 o   13.310   0.8430 -2.066000 1.686000 
1 1 1   12    2   34 f   5.4190   1.4210 1.464000 2.842000 
1 1 1   12    2   35 o   7.0260   1.4060 -1.998000 2.811000 
1 1 1   12    3    0 o   18.400   0.5359 -0.000000 0.000000 
1 1 1   12    3    1 o   69.470   0.7343 0.9693000 1.469000 
1 1 1   12    3    2 o   82.320   0.8650 -1.192000 1.730000 
1 1 1   12    3    3 o  153.800   1.6040 -5.148000 3.208000 
1 1 1   12    3    4 o   28.290   0.3799 -1.266000 0.7599000 
1 1 1   12    3    5 o  143.800   1.3640 5.605000 2.729000 
1 1 1   12    3    6 o   74.130   0.6387 3.097000 1.277000 
1 1 1   12    3    7 o   42.510   0.3913 -1.235000 0.7827000 
1 1 1   12    3    8 o   40.280   0.3764 1.321000 0.7528000 
1 1 1   12    3    9 o   82.320   0.7076 0.2734000 1.415000 
1 1 1   12    3   10 o   81.130   0.6987 0.6102000 1.397000 
1 1 1   12    3   11 o  107.200   0.9174 0.8524000 1.835000 
1 1 1   12    3   12 o   71.860   0.6226 -2.690000 1.245000 
1 1 1   12    3   13 o   50.040   0.4492 0.5314000 0.8984000 
1 1 1   12    3   14 o   11.660   0.5631 -4.513000 1.126000 
1 1 1   12    3   15 f   61.840   0.5412 -0.9254000 1.082000 
1 1 1   12    3   16 o   46.100   0.4223 0.6383000 0.8447000 
1 1 1   12    3   17 o   34.340   0.3520 0.1986000 0.7040000 
1 1 1   12    3   18 o   26.160   0.3394 0.3841000 0.6788000 
1 1 1   12    3   19 o   10.100   0.7376 1.094000 1.475000 
1 1 1   12    3   20 o   52.320   0.5297 2.010000 1.059000 
1 1 1   12    3   21 o   27.660   0.6073      ?      ? 
1 1 1   12    3   22 o   55.260   0.5614 3.040000 1.123000 
1 1 1   12    3   23 o   39.030   0.6968      ?      ? 
1 1 1   12    3   24 o   27.150   0.4514 2.945000 0.9027000 
1 1 1   12    3   25 o   33.930   0.4593 -1.584000 0.9186000 
1 1 1   12    3   26 o   50.720   0.5479 -0.6426000 1.096000 
1 1 1   12    3   28 o   29.780   0.6406 -1.366000 1.281000 
1 1 1   12    3   29 o   24.990   0.7029 -1.231000 1.406000 
1 1 1   12    3   30 o   24.390   0.7274 1.781000 1.455000 
1 1 1   12    3   31 o   15.840   1.0510 1.780000 2.103000 
1 1 1   12    3   32 o   12.930   1.3620 -5.808000 2.724000 
1 1 1   12    3   33 o   9.7940   1.6260 1.826000 3.252000 
1 1 1   12    3   34 o   6.8980   2.2880      ?      ? 
1 1 1   12    3   35 o   6.3740   1.4870 -0.9599000 2.974000 
1 1 1   12    4    0 o   29.520   0.5848 -0.000000 0.000000 
1 1 1   12    4    1 o  117.500   1.1290 -7.269000 2.259000 
1 1 1   12    4    2 o  108.900   0.9303 2.799000 1.861000 
1 1 1   12    4    3 o   80.240   0.6920 6.760000 1.384000 
1 1 1   12    4    4 f   28.500   0.4275 10.16000 0.8549000 
1 1 1   12    4    5 o  110.500   0.9448 -1.663000 1.890000 
1 1 1   12    4    6 o   6.5790   0.8911 5.452000 1.782000 
1 1 1   12    4    7 o  161.400   1.3760 -9.527000 2.752000 
1 1 1   12    4    8 o   30.680   0.3995 -4.370000 0.7990000 
1 1 1   12    4    9 o   53.820   0.4824 0.5709000 0.9649000 
1 1 1   12    4   10 o   90.350   0.7765 0.6708000 1.553000 
1 1 1   12    4   11 o   48.310   0.4440 0.4585000 0.8880000 
1 1 1   12    4   12 o   27.720   0.3503 -1.761000 0.7006000 
1 1 1   12    4   13 o   40.290   0.3937 -1.793000 0.7874000 
1 1 1   12    4   14 o   52.390   0.4715 -1.725000 0.9429000 
1 1 1   12    4   15 o   32.220   0.3576 0.7699000 0.7153000 
1 1 1   12    4   16 o   33.220   0.4084 1.063000 0.8169000 
1 1 1   12    4   17 f   15.200   0.5519 -3.045000 1.104000 
1 1 1   12    4   18 o   38.060   0.3908 -0.3566000 0.7816000 
1 1 1   12    4   19 o   26.290   0.3790 -0.1086000E-01 0.7580000 
1 1 1   12    4   20 o   52.450   0.5426 1.751000 1.085000 
1 1 1   12    4   21 o   21.210   0.4946 0.9164000 0.9891000 
1 1 1   12    4   22 o   9.3900   1.1460 5.436000 2.292000 
1 1 1   12    4   23 o   7.6320   1.2840 -1.137000 2.569000 
1 1 1   12    4   24 o   41.080   0.7411      ?      ? 
1 1 1   12    4   25 o   20.050   0.8538      ?      ? 
1 1 1   12    4   26 o   30.450   0.6124      ?      ? 
1 1 1   12    4   27 o   13.700   0.9205 -0.3519000 1.841000 
1 1 1   12    4   28 o   18.440   1.1730      ?      ? 
1 1 1   12    4   29 o   21.740   0.6651 -1.420000 1.330000 
1 1 1   12    4   30 o   31.130   0.5521 -0.1539000 1.104000 
1 1 1   12    4   31 o   7.6470   1.7080 -2.836000 3.415000 
1 1 1   12    4   32 o   28.600   0.6476 2.589000 1.295000 
1 1 1   12    4   33 o   8.9320   1.6250 5.623000 3.250000 
1 1 1   12    4   34 o   12.150   1.4470 0.7996000 2.894000 
1 1 1   12    4   35 o   5.3960   1.6340 -0.9969000 3.269000 
1 1 1   12    5    0 o   63.190   0.6822 -0.000000 0.000000 
1 1 1   12    5    1 o   38.190   0.3335 -5.102000 0.6670000 
1 1 1   12    5    2 o   80.720   0.6520 -3.060000 1.304000 
1 1 1   12    5    3 o   62.570   0.5241 10.71000 1.048000 
1 1 1   12    5    4 o   55.340   0.4634 -10.72000 0.9268000 
1 1 1   12    5    5 o   64.820   0.5706 -1.108000 1.141000 
1 1 1   12    5    6 o   9.9820   0.7658 1.351000 1.532000 
1 1 1   12    5    7 o   55.770   0.5012 -0.6533000 1.002000 
1 1 1   12    5    8 f   59.900   0.5337 -2.475000 1.067000 
1 1 1   12    5    9 o   41.740   0.4177 -8.648000 0.8355000 
1 1 1   12    5   10 o  103.900   0.8915 2.955000 1.783000 
1 1 1   12    5   11 o   99.750   0.8567 3.494000 1.713000 
1 1 1   12    5   12 o   41.370   0.4089 -1.136000 0.8177000 
1 1 1   12    5   13 o   24.900   0.3929 4.521000 0.7859000 
1 1 1   12    5   14 o   16.150   0.5010 0.5823000 1.002000 
1 1 1   12    5   15 o   32.970   0.4338 1.558000 0.8675000 
1 1 1   12    5   16 o   25.670   0.4338 -3.677000 0.8675000 
1 1 1   12    5   17 o   13.340   0.6261 -0.1024000 1.252000 
1 1 1   12    5   18 f   50.730   0.4738 -0.2348000 0.9476000 
1 1 1   12    5   19 o   38.810   0.4584 -3.877000 0.9168000 
1 1 1   12    5   20 o   78.580   0.7686 0.5449000 1.537000 
1 1 1   12    5   21 o   82.170   0.7176 -0.4873000 1.435000 
1 1 1   12    5   22 o   19.330   0.5983 1.672000 1.197000 
1 1 1   12    5   23 o   38.650   0.4836 -1.873000 0.9672000 
1 1 1   12    5   24 f   52.840   0.6198 5.188000 1.240000 
1 1 1   12    5   25 o   29.940   0.5101 1.550000 1.020000 
1 1 1   12    5   26 o   22.120   0.6184 -1.086000 1.237000 
1 1 1   12    5   27 o   20.470   0.6850 -2.102000 1.370000 
1 1 1   12    5   28 o   34.940   0.5404 0.4394000 1.081000 
1 1 1   12    5   29 o   23.810   0.6659 2.180000 1.332000 
1 1 1   12    5   30 o   11.260   1.3960 1.965000 2.793000 
1 1 1   12    5   31 o   22.350   0.7296 1.752000 1.459000 
1 1 1   12    5   32 o   8.5510   1.6200 2.415000 3.239000 
1 1 1   12    5   33 o   13.780   1.0730 -1.124000 2.147000 
1 1 1   12    5   34 o   3.8020   1.2940 -0.4521000 2.588000 
1 1 1   12    5   35 o   6.0530   1.6180 1.183000 3.237000 
1 1 1   12    6    0 o  185.500   1.9330 -0.000000 0.000000 
1 1 1   12    6    1 o  133.600   0.9887 4.802000 1.977000 
1 1 1   12    6    2 o  138.900   1.0270 2.853000 2.053000 
1 1 1   12    6    3 o   34.690   0.3394 0.1533000 0.6788000 
1 1 1   12    6    4 o  101.200   0.7524 -0.1568000 1.505000 
1 1 1   12    6    5 o  140.300   1.1210 1.518000 2.243000 
1 1 1   12    6    6 o  124.700   1.0030 8.335000 2.005000 
1 1 1   12    6    7 f   41.880   0.3976 0.5606000 0.7952000 
1 1 1   12    6    8 o   41.130   0.3954 -1.286000 0.7908000 
1 1 1   12    6    9 o   80.210   0.6534 0.7005000 1.307000 
1 1 1   12    6   10 o   76.090   0.6209 -3.069000 1.242000 
1 1 1   12    6   11 o   33.460   0.4558 4.744000 0.9115000 
1 1 1   12    6   12 o   48.790   0.4649 2.588000 0.9298000 
1 1 1   12    6   13 o   32.170   0.4032 3.682000 0.8064000 
1 1 1   12    6   14 o   70.320   0.6199 1.822000 1.240000 
1 1 1   12    6   15 o   27.930   0.4712 -3.605000 0.9423000 
1 1 1   12    6   16 o   54.580   0.5038 1.509000 1.008000 
1 1 1   12    6   17 o   40.690   0.4319 0.8710000 0.8637000 
1 1 1   12    6   18 o   14.820   0.7435 3.258000 1.487000 
1 1 1   12    6   19 o   71.130   0.6300 -0.2424000 1.260000 
1 1 1   12    6   20 o   7.6060   1.3250 0.2573000 2.651000 
1 1 1   12    6   21 o   28.320   0.4615 4.812000 0.9230000 
1 1 1   12    6   22 o   13.360   0.9201 -2.263000 1.840000 
1 1 1   12    6   23 o   27.150   0.4918 3.232000 0.9836000 
1 1 1   12    6   24 o   33.970   0.5246 1.757000 1.049000 
1 1 1   12    6   25 o   34.070   0.5325 0.2015000 1.065000 
1 1 1   12    6   26 o   41.750   0.5418 1.298000 1.084000 
1 1 1   12    6   27 o   17.800   0.9703 -4.941000 1.941000 
1 1 1   12    6   28 o   15.170   1.1110 2.558000 2.223000 
1 1 1   12    6   29 o   11.670   1.4400 2.422000 2.880000 
1 1 1   12    6   30 f   21.780   0.7654 0.2020000 1.531000 
1 1 1   12    6   31 o   7.1360   1.7290 1.209000 3.459000 
1 1 1   12    6   32 o   14.680   1.1060 -1.076000 2.211000 
1 1 1   12    6   33 o   13.440   1.1780 -2.483000 2.357000 
1 1 1   12    6   34 o   13.020   1.1950 -2.853000 2.390000 
1 1 1   12    7    0 o   32.550   0.4998 -0.000000 0.000000 
1 1 1   12    7    1 o   49.880   0.4129 1.340000 0.8258000 
1 1 1   12    7    2 o  124.500   0.9232 -0.3626000 1.846000 
1 1 1   12    7    3 o   78.320   0.5933 -1.020000 1.187000 
1 1 1   12    7    4 o   53.620   0.4330 -0.8316000 0.8660000 
1 1 1   12    7    5 o   75.820   0.5768 5.761000 1.154000 
1 1 1   12    7    6 o   19.290   0.4683 -5.929000 0.9365000 
1 1 1   12    7    7 o   16.700   0.5638 1.717000 1.128000 
1 1 1   12    7    8 o   76.170   0.6249 -1.276000 1.250000 
1 1 1   12    7    9 f   25.180   0.4609 2.674000 0.9218000 
1 1 1   12    7   10 o   32.820   0.3959 3.197000 0.7919000 
1 1 1   12    7   11 o   43.020   0.4121 -2.076000 0.8243000 
1 1 1   12    7   12 o   28.660   0.4149 4.762000 0.8298000 
1 1 1   12    7   13 o   45.160   0.4633 -1.556000 0.9265000 
1 1 1   12    7   14 o   42.310   0.4509 -1.037000 0.9018000 
1 1 1   12    7   15 o   24.290   0.5231 -2.287000 1.046000 
1 1 1   12    7   16 o   60.750   0.5217 1.693000 1.043000 
1 1 1   12    7   17 o   28.220   0.4406 4.129000 0.8812000 
1 1 1   12    7   18 o   13.480   0.8016 1.513000 1.603000 
1 1 1   12    7   19 o   34.860   0.4315 3.887000 0.8631000 
1 1 1   12    7   20 o   57.530   0.5090 -1.505000 1.018000 
1 1 1   12    7   21 o   24.920   0.5132 -2.464000 1.026000 
1 1 1   12    7   22 o   17.160   0.6886 2.530000 1.377000 
1 1 1   12    7   23 o   16.500   0.8484 -0.4067000E-01 1.697000 
1 1 1   12    7   24 o   34.700   0.4681 -2.137000 0.9361000 
1 1 1   12    7   25 o   33.390   0.5203 -0.3921000 1.041000 
1 1 1   12    7   26 o   30.900   0.5495 -1.856000 1.099000 
1 1 1   12    7   27 o   15.980   1.1890 2.967000 2.377000 
1 1 1   12    7   28 o   21.000   0.7588 -0.7051000 1.518000 
1 1 1   12    7   29 o   17.050   0.9519 1.427000 1.904000 
1 1 1   12    7   30 f   10.280   1.5570 2.811000 3.114000 
1 1 1   12    7   31 o   33.890   0.5600 -0.4792000 1.120000 
1 1 1   12    7   32 o   12.520   1.3320 2.913000 2.665000 
1 1 1   12    7   33 o   19.530   0.7856 -2.819000 1.571000 
1 1 1   12    7   34 o   8.8190   1.5980 -0.5135000 3.195000 
1 1 1   12    8    0 o   20.900   0.6618 -0.000000 0.000000 
1 1 1   12    8    1 f   37.960   0.3745 -0.6480000 0.7491000 
1 1 1   12    8    2 o   37.620   0.3770 -0.6288000 0.7540000 
1 1 1   12    8    3 o   58.580   0.4680 2.634000 0.9360000 
1 1 1   12    8    4 o   27.840   0.3938 4.858000 0.7876000 
1 1 1   12    8    5 o   81.840   0.6212 -3.249000 1.242000 
1 1 1   12    8    6 o   36.880   0.3787 -1.134000 0.7574000 
1 1 1   12    8    7 o   17.300   0.5509 3.253000 1.102000 
1 1 1   12    8    8 o   83.240   0.6320 8.700000 1.264000 
1 1 1   12    8    9 o   14.510   0.7552 3.367000 1.510000 
1 1 1   12    8   10 o   24.150   0.5078 -1.748000 1.016000 
1 1 1   12    8   11 o   35.440   0.4222 -0.3979000 0.8445000 
1 1 1   12    8   12 o   19.350   0.6906 0.6602000E-01 1.381000 
1 1 1   12    8   13 o   11.540   0.9561 -1.413000 1.912000 
1 1 1   12    8   14 o   42.320   0.4340 -1.357000 0.8681000 
1 1 1   12    8   15 o   32.690   0.4318 5.539000 0.8636000 
1 1 1   12    8   16 o   13.160   0.8518 -2.718000 1.704000 
1 1 1   12    8   17 o   19.560   0.5932 1.251000 1.186000 
1 1 1   12    8   18 o   19.370   0.6233 -1.216000 1.247000 
1 1 1   12    8   19 o   28.280   0.4990 2.213000 0.9980000 
1 1 1   12    8   20 f   35.090   0.4672 -2.525000 0.9344000 
1 1 1   12    8   21 o   38.930   0.4677 -0.5264000E-01 0.9353000 
1 1 1   12    8   22 o   17.880   0.8871 -2.626000 1.774000 
1 1 1   12    8   23 o   11.710   1.3800 1.328000 2.759000 
1 1 1   12    8   24 o   33.000   0.5184 0.1025000 1.037000 
1 1 1   12    8   25 o   19.090   0.7704 1.804000 1.541000 
1 1 1   12    8   26 o   8.4430   1.5510 -4.802000 3.102000 
1 1 1   12    8   27 o   18.710   0.9052 -0.1255000 1.810000 
1 1 1   12    8   28 o   7.6510   1.7720 1.883000 3.543000 
1 1 1   12    8   29 o   16.760   1.0270 -0.8152000E-01 2.054000 
1 1 1   12    8   30 o   11.130   1.5250 1.063000 3.050000 
1 1 1   12    8   31 o   11.680   1.5060 5.094000 3.012000 
1 1 1   12    8   32 o   17.810   0.9360 -0.3530000 1.872000 
1 1 1   12    8   33 o   15.640   1.0230 -1.176000 2.047000 
1 1 1   12    9    0 o   12.380   1.1340 -0.000000 0.000000 
1 1 1   12    9    1 o   52.710   0.4451 -1.175000 0.8902000 
1 1 1   12    9    2 o   28.770   0.4171 0.1294000 0.8342000 
1 1 1   12    9    3 o   56.230   0.4658 -1.401000 0.9316000 
1 1 1   12    9    4 o   16.560   0.6777 6.984000 1.355000 
1 1 1   12    9    5 o   74.230   0.6178 -4.088000 1.236000 
1 1 1   12    9    6 o   28.620   0.4264 2.978000 0.8529000 
1 1 1   12    9    7 o   24.720   0.4641 -5.467000 0.9282000 
1 1 1   12    9    8 o   35.060   0.4044 0.9969000 0.8087000 
1 1 1   12    9    9 o   25.600   0.4505 2.456000 0.9011000 
1 1 1   12    9   10 o   13.520   0.7955 4.413000 1.591000 
1 1 1   12    9   11 o   9.2460   1.2630 1.791000 2.527000 
1 1 1   12    9   12 o   11.050   1.0840 2.186000 2.167000 
1 1 1   12    9   13 o   16.170   0.7327 3.462000 1.465000 
1 1 1   12    9   14 o   20.360   0.7020 6.128000 1.404000 
1 1 1   12    9   15 o   14.530   0.9157 0.6532000 1.831000 
1 1 1   12    9   16 o   25.670   0.5121 3.537000 1.024000 
1 1 1   12    9   17 o   54.050   0.5008 -0.1583000 1.002000 
1 1 1   12    9   18 o   33.610   0.4826 -1.961000 0.9651000 
1 1 1   12    9   19 o   45.860   0.4869 1.907000 0.9737000 
1 1 1   12    9   20 o   25.340   0.5834 0.6406000E-01 1.167000 
1 1 1   12    9   21 o   23.540   0.7105 0.2901000 1.421000 
1 1 1   12    9   22 o   28.740   0.6452 -1.265000 1.290000 
1 1 1   12    9   23 o   20.090   0.7584 -1.916000 1.517000 
1 1 1   12    9   24 o   34.700   0.5411 -1.751000 1.082000 
1 1 1   12    9   25 o   20.240   0.9864 -3.660000 1.973000 
1 1 1   12    9   26 o   18.910   1.0140 1.588000 2.029000 
1 1 1   12    9   27 o   11.700   1.4920 -1.953000 2.984000 
1 1 1   12    9   28 o   16.200   1.1260 0.9471000 2.252000 
1 1 1   12    9   29 o   14.480   1.2530 -0.1608000 2.505000 
1 1 1   12    9   30 o   7.9380   1.8630 0.2815000 3.726000 
1 1 1   12    9   31 o   27.940   0.6764 -0.3120000 1.353000 
1 1 1   12    9   32 o   8.3310   1.7170 -4.181000 3.435000 
1 1 1   12    9   33 o   12.510   1.3510 -3.125000 2.703000 
1 1 1   12   10    0 o   45.570   0.6073 -0.000000 0.000000 
1 1 1   12   10    1 o   19.470   0.5894 4.485000 1.179000 
1 1 1   12   10    2 o   14.680   0.7792 -4.785000 1.558000 
1 1 1   12   10    3 o   26.820   0.4666 3.011000 0.9333000 
1 1 1   12   10    4 f   37.810   0.4162 -1.293000 0.8323000 
1 1 1   12   10    5 o   49.590   0.4451 2.817000 0.8901000 
1 1 1   12   10    6 o   57.710   0.4809 -2.469000 0.9618000 
1 1 1   12   10    7 o   17.680   0.6424 1.567000 1.285000 
1 1 1   12   10    8 o   59.650   0.4917 -5.522000 0.9833000 
1 1 1   12   10    9 o   24.630   0.4970 0.2161000 0.9941000 
1 1 1   12   10   10 o   44.840   0.4312 1.828000 0.8624000 
1 1 1   12   10   11 o   39.770   0.4263 1.351000 0.8525000 
1 1 1   12   10   12 o   29.760   0.4519 -0.4885000 0.9037000 
1 1 1   12   10   13 o   27.520   0.5154 0.9446000E-01 1.031000 
1 1 1   12   10   14 f   28.650   0.5118 1.068000 1.024000 
1 1 1   12   10   15 o   9.6090   1.3880 4.253000 2.776000 
1 1 1   12   10   16 o   35.720   0.5589 0.6359000 1.118000 
1 1 1   12   10   17 o   13.710   1.2800 -3.437000 2.559000 
1 1 1   12   10   18 f   21.250   0.7464 5.430000 1.493000 
1 1 1   12   10   19 o   48.220   0.5129 -0.2071000 1.026000 
1 1 1   12   10   20 o   58.290   0.5533 1.008000 1.107000 
1 1 1   12   10   21 o   32.700   0.5604 0.9940000 1.121000 
1 1 1   12   10   22 o   7.5150   1.7720 0.9331000 3.543000 
1 1 1   12   10   23 o   33.010   0.5873 -1.233000 1.175000 
1 1 1   12   10   24 o   29.290   0.7352 -0.3226000 1.470000 
1 1 1   12   10   25 o   30.680   0.6432 -1.740000 1.286000 
1 1 1   12   10   26 o   16.230   1.1420 -2.477000 2.283000 
1 1 1   12   10   27 o   19.830   0.9249 1.162000 1.850000 
1 1 1   12   10   28 o   7.3960   1.7900 3.743000 3.581000 
1 1 1   12   10   29 o   12.270   1.6140 -1.545000 3.227000 
1 1 1   12   10   30 o   13.770   1.4420 1.113000 2.884000 
1 1 1   12   10   31 o   11.350   1.6320 0.2108000 3.264000 
1 1 1   12   10   32 o   7.8670   1.7650 3.309000 3.529000 
1 1 1   12   11    0 o   20.520   0.8281 -0.000000 0.000000 
1 1 1   12   11    1 o   17.480   0.7219 5.652000 1.444000 
1 1 1   12   11    2 o   45.180   0.4408 1.953000 0.8816000 
1 1 1   12   11    3 o   51.670   0.4620 2.058000 0.9240000 
1 1 1   12   11    4 o   21.530   0.5863 3.785000 1.173000 
1 1 1   12   11    5 o   47.580   0.4483 0.4583000 0.8965000 
1 1 1   12   11    6 o   52.130   0.4661 -1.443000 0.9322000 
1 1 1   12   11    7 o   35.300   0.4445 -2.703000 0.8889000 
1 1 1   12   11    8 o   32.390   0.4914 1.046000 0.9828000 
1 1 1   12   11    9 o   16.890   0.7967 0.2971000 1.593000 
1 1 1   12   11   10 o   48.790   0.4538 2.047000 0.9077000 
1 1 1   12   11   11 o   23.280   0.5765 -1.542000 1.153000 
1 1 1   12   11   12 o   13.060   1.0580 -2.272000 2.116000 
1 1 1   12   11   13 o   52.690   0.4705 -0.3072000 0.9409000 
1 1 1   12   11   14 o   39.970   0.4506 -0.1274000 0.9012000 
1 1 1   12   11   15 o   8.0870   1.8030 0.8590000 3.606000 
1 1 1   12   11   16 o   28.060   0.5884 1.895000 1.177000 
1 1 1   12   11   17 o   23.080   0.6855 -0.2385000 1.371000 
1 1 1   12   11   18 o   24.040   0.6938 2.961000 1.388000 
1 1 1   12   11   19 o   35.970   0.5528 -0.7787000 1.106000 
1 1 1   12   11   20 o   18.210   0.9177 0.3697000E-01 1.835000 
1 1 1   12   11   21 o   26.080   0.6972 -1.362000 1.394000 
1 1 1   12   11   22 o   21.860   0.8165 0.4343000 1.633000 
1 1 1   12   11   23 o   15.930   1.4160 2.885000 2.832000 
1 1 1   12   11   24 o   16.690   1.1710 -0.3936000 2.341000 
1 1 1   12   11   25 o   23.490   0.8582 -1.029000 1.716000 
1 1 1   12   11   26 o   44.060   0.5858 -1.771000 1.172000 
1 1 1   12   11   27 o   11.910   1.6720 1.397000 3.344000 
1 1 1   12   11   28 o   7.0810   1.7320 -4.883000 3.465000 
1 1 1   12   11   29 o   15.910   1.2540 3.320000 2.509000 
1 1 1   12   11   30 o   14.030   1.3500 0.8048000E-01 2.699000 
1 1 1   12   11   31 o   8.9730   1.3460 10.11000 2.693000 
1 1 1   12   11   32 o   12.410   1.5450 2.572000 3.090000 
1 1 1   12   12    0 o   6.5790   2.2480 -0.000000 0.000000 
1 1 1   12   12    1 o   27.530   0.5153 -0.6706000 1.031000 
1 1 1   12   12    2 f   16.170   0.8247 4.512000 1.649000 
1 1 1   12   12    3 o   25.180   0.5537 3.761000 1.107000 
1 1 1   12   12    4 o   25.440   0.5502 -0.5873000 1.100000 
1 1 1   12   12    5 o   41.070   0.4524 -3.676000 0.9048000 
1 1 1   12   12    6 o   30.230   0.5004 2.680000 1.001000 
1 1 1   12   12    7 o   18.480   0.7506 3.546000 1.501000 
1 1 1   12   12    8 o   36.300   0.4665 -1.198000 0.9331000 
1 1 1   12   12    9 o   57.150   0.5012 3.691000 1.002000 
1 1 1   12   12   10 o   7.8060   1.5580 -2.890000 3.116000 
1 1 1   12   12   11 o   17.430   0.8146 4.982000 1.629000 
1 1 1   12   12   12 o   47.800   0.4707 0.4674000 0.9415000 
1 1 1   12   12   13 f   55.030   0.4947 -4.720000 0.9894000 
1 1 1   12   12   14 o   39.230   0.4794 -1.984000 0.9588000 
1 1 1   12   12   15 o   25.110   0.6077 -0.3432000 1.215000 
1 1 1   12   12   16 o   16.610   0.9324 -1.355000 1.865000 
1 1 1   12   12   17 o   21.110   0.8178 -0.7205000 1.636000 
1 1 1   12   12   18 o   42.330   0.5446 -1.041000 1.089000 
1 1 1   12   12   19 o   13.910   1.4880 1.305000 2.976000 
1 1 1   12   12   20 o   7.7930   1.8750 -0.9621000 3.751000 
1 1 1   12   12   21 o   14.870   1.2890 -1.561000 2.577000 
1 1 1   12   12   22 o   22.320   0.8865 -0.1966000 1.773000 
1 1 1   12   12   23 o   22.460   0.9021 -0.2021000 1.804000 
1 1 1   12   12   24 o   12.340   1.6970 3.643000 3.394000 
1 1 1   12   12   25 o   15.830   1.3820 -4.633000 2.763000 
1 1 1   12   12   26 o   8.3830   2.0110 1.722000 4.021000 
1 1 1   12   12   27 o   14.760   1.4190 2.509000 2.838000 
1 1 1   12   12   28 o   10.430   1.7350 7.008000 3.471000 
1 1 1   12   12   29 o   11.000   1.8080 1.392000 3.617000 
1 1 1   12   12   30 o   11.080   1.7590 0.7103000 3.518000 
1 1 1   12   12   31 o   9.1450   1.7710 -3.791000 3.541000 
1 1 1   12   13    0 o   59.330   0.7250 -0.000000 0.000000 
1 1 1   12   13    1 f   61.140   0.5224 -0.4656000 1.045000 
1 1 1   12   13    2 o   20.060   0.7219 1.800000 1.444000 
1 1 1   12   13    3 o   11.650   1.2460 -2.237000 2.491000 
1 1 1   12   13    4 o   23.300   0.6234 -0.2527000 1.247000 
1 1 1   12   13    5 o   20.940   0.7606 0.9446000 1.521000 
1 1 1   12   13    6 o   35.050   0.4958 -1.309000 0.9917000 
1 1 1   12   13    7 o   14.030   1.0540 -1.028000 2.107000 
1 1 1   12   13    8 f   11.760   1.4550 5.356000 2.911000 
1 1 1   12   13    9 o   29.690   0.6479 -0.3592000 1.296000 
1 1 1   12   13   10 o   10.920   1.3820 -0.3172000 2.765000 
1 1 1   12   13   11 o   50.300   0.4968 -0.8022000 0.9937000 
1 1 1   12   13   12 o   20.560   0.8342 -4.484000 1.668000 
1 1 1   12   13   13 o   44.650   0.5391 0.2491000 1.078000 
1 1 1   12   13   14 o   27.870   0.6323 4.417000 1.265000 
1 1 1   12   13   15 o   22.270   0.7280 3.120000 1.456000 
1 1 1   12   13   16 o   50.630   0.5125 -1.388000 1.025000 
1 1 1   12   13   17 o   35.230   0.5592 0.7679000 1.118000 
1 1 1   12   13   18 o   20.830   1.0780 -0.6590000E-01 2.155000 
1 1 1   12   13   19 o   24.600   0.8027 0.5698000 1.605000 
1 1 1   12   13   20 o   8.2440   1.8860 -3.758000 3.773000 
1 1 1   12   13   21 o   6.8550   1.8830 -2.015000 3.765000 
1 1 1   12   13   22 o   24.390   0.8875 0.4485000 1.775000 
1 1 1   12   13   23 o   31.350   0.7491 2.828000 1.498000 
1 1 1   12   13   24 o   9.8930   2.0120 0.4240000E-01 4.023000 
1 1 1   12   13   25 o   21.100   1.0500 -2.216000 2.100000 
1 1 1   12   13   26 o   18.120   1.2460 -4.187000 2.493000 
1 1 1   12   13   27 o   6.6710   1.9200 2.137000 3.840000 
1 1 1   12   13   28 o   12.590   1.6610 3.262000 3.323000 
1 1 1   12   13   29 o   8.4460   1.9480 2.979000 3.896000 
1 1 1   12   13   30 o   7.8440   1.9490 1.538000 3.899000 
1 1 1   12   14    0 o   7.6620   2.4670 -0.000000 0.000000 
1 1 1   12   14    1 o   25.480   0.6391 -2.018000 1.278000 
1 1 1   12   14    2 o   33.940   0.5315 -1.074000 1.063000 
1 1 1   12   14    3 o   32.120   0.5533 0.3564000 1.107000 
1 1 1   12   14    4 o   46.410   0.5025 -3.110000 1.005000 
1 1 1   12   14    5 o   32.490   0.5538 -2.357000 1.108000 
1 1 1   12   14    6 o   24.710   0.6732 1.660000 1.346000 
1 1 1   12   14    7 o   22.100   0.7366 -0.9492000E-01 1.473000 
1 1 1   12   14    8 o   12.520   1.4150 -0.7684000 2.831000 
1 1 1   12   14    9 o   19.730   0.8326 2.621000 1.665000 
1 1 1   12   14   10 o   47.340   0.5088 -0.6583000 1.018000 
1 1 1   12   14   11 o   7.1060   1.7890 0.1677000 3.578000 
1 1 1   12   14   12 o   9.6920   1.6530 -2.150000 3.307000 
1 1 1   12   14   13 o   35.870   0.5437 1.329000 1.087000 
1 1 1   12   14   14 o   34.450   0.5639 1.416000 1.128000 
1 1 1   12   14   15 o   41.670   0.5367 -1.408000 1.073000 
1 1 1   12   14   16 o   12.710   1.5700 -0.6449000 3.139000 
1 1 1   12   14   17 o   37.960   0.5664 0.5514000 1.133000 
1 1 1   12   14   18 o   19.660   0.9507 2.626000 1.901000 
1 1 1   12   14   19 o   20.750   1.0070 4.374000 2.014000 
1 1 1   12   14   20 o   8.6780   2.0380 0.9508000 4.076000 
1 1 1   12   14   21 o   8.1730   2.0000 3.730000 3.999000 
1 1 1   12   14   22 o   21.380   1.0710 3.916000 2.141000 
1 1 1   12   14   23 o   19.390   1.1890 -3.142000 2.379000 
1 1 1   12   14   24 o   13.120   1.7440 6.218000 3.489000 
1 1 1   12   14   25 o   8.2080   2.0620 2.420000 4.123000 
1 1 1   12   14   26 o   17.120   1.2870 -1.119000 2.574000 
1 1 1   12   14   27 o   13.520   1.5930 1.862000 3.187000 
1 1 1   12   14   28 o   6.6000   1.8830 -1.327000 3.766000 
1 1 1   12   14   29 o   6.7590   1.8220 4.014000 3.645000 
1 1 1   12   15    0 o   67.950   0.8174 -0.000000 0.000000 
1 1 1   12   15    1 o   37.050   0.5511 -1.524000 1.102000 
1 1 1   12   15    2 o   21.960   0.7868 0.5217000 1.574000 
1 1 1   12   15    3 o   40.630   0.5268 -1.805000 1.054000 
1 1 1   12   15    4 o   20.050   0.8569 1.381000 1.714000 
1 1 1   12   15    5 o   43.830   0.5277 3.003000 1.055000 
1 1 1   12   15    6 o   38.310   0.5520 2.634000 1.104000 
1 1 1   12   15    7 o   10.100   1.6750 4.220000 3.349000 
1 1 1   12   15    8 o   22.110   0.8661 -4.138000 1.732000 
1 1 1   12   15    9 o   49.630   0.5288 -0.6232000 1.058000 
1 1 1   12   15   10 o   9.8090   1.7180 -3.022000 3.435000 
1 1 1   12   15   11 o   7.1850   1.7810 -3.164000 3.562000 
1 1 1   12   15   12 o   13.810   1.2900 0.6653000 2.581000 
1 1 1   12   15   13 o   10.830   1.6820 2.584000 3.364000 
1 1 1   12   15   14 f   11.220   1.6760 0.1689000 3.352000 
1 1 1   12   15   15 o   23.640   0.8200 2.600000 1.640000 
1 1 1   12   15   16 f   13.870   1.4400 -2.936000 2.880000 
1 1 1   12   15   17 o   21.510   0.9213 2.582000 1.843000 
1 1 1   12   15   18 o   18.070   1.1100 2.071000 2.221000 
1 1 1   12   15   19 o   16.040   1.2980 -3.196000 2.597000 
1 1 1   12   15   20 o   9.5340   1.8890 -4.870000 3.778000 
1 1 1   12   15   21 o   25.750   0.9155 1.469000 1.831000 
1 1 1   12   15   22 o   15.310   1.5660 -2.507000 3.132000 
1 1 1   12   15   23 o   15.490   1.5030 -0.5050000 3.006000 
1 1 1   12   15   24 o   8.5140   1.9160 6.011000 3.832000 
1 1 1   12   15   25 o   8.6030   2.0310 -2.452000 4.062000 
1 1 1   12   15   26 o   4.8690   1.6320 0.7184000E-01 3.265000 
1 1 1   12   15   27 o   12.200   1.7840 1.963000 3.568000 
1 1 1   12   15   28 o   7.6440   2.0210 0.7953000 4.043000 
1 1 1   12   16    0 o   19.410   1.3420 -0.000000 0.000000 
1 1 1   12   16    1 f   19.430   0.9577 -1.125000 1.915000 
1 1 1   12   16    2 o   18.260   1.0130 0.2887000 2.025000 
1 1 1   12   16    3 o   22.160   0.8259 2.563000 1.652000 
1 1 1   12   16    4 o   5.9050   1.7560 0.3541000 3.511000 
1 1 1   12   16    5 o   10.560   1.7480 5.296000 3.496000 
1 1 1   12   16    6 o   23.300   0.8899 -0.4916000 1.780000 
1 1 1   12   16    7 o   19.480   0.9607 1.374000 1.921000 
1 1 1   12   16    8 o   18.240   1.0470 0.4029000 2.093000 
1 1 1   12   16    9 o   11.450   1.6680 -0.5507000 3.335000 
1 1 1   12   16   10 o   35.610   0.6058 1.277000 1.212000 
1 1 1   12   16   11 o   17.790   1.0930 2.484000 2.186000 
1 1 1   12   16   12 o   10.350   1.7730 4.855000 3.546000 
1 1 1   12   16   13 o   27.540   0.7513 -2.912000 1.503000 
1 1 1   12   16   14 o   36.440   0.6114 -0.5437000 1.223000 
1 1 1   12   16   15 o   14.520   1.4640 5.125000 2.928000 
1 1 1   12   16   16 o   8.2320   1.8890 -4.152000 3.777000 
1 1 1   12   16   17 f   10.710   1.8630 -4.097000 3.727000 
1 1 1   12   16   18 o   19.160   1.1160 2.097000 2.232000 
1 1 1   12   16   19 o   12.860   1.7230 -1.642000 3.445000 
1 1 1   12   16   20 o   13.740   1.6600 3.663000 3.320000 
1 1 1   12   16   21 o   20.820   1.0590 -3.014000 2.119000 
1 1 1   12   16   22 o   7.3750   2.0700 4.245000 4.141000 
1 1 1   12   16   23 o   14.300   1.6340 -0.3526000 3.268000 
1 1 1   12   16   24 o   13.370   1.9020 -1.649000 3.803000 
1 1 1   12   16   25 o   6.6360   1.9710 0.6790000 3.941000 
1 1 1   12   16   26 o   9.4020   2.0620 -1.091000 4.123000 
1 1 1   12   16   27 o   7.8900   2.0130 -0.5939000 4.026000 
1 1 1   12   17    0 o   28.710   0.9891 -0.000000 0.000000 
1 1 1   12   17    1 o   20.640   0.9385 0.2019000 1.877000 
1 1 1   12   17    2 o   18.810   1.0530 2.678000 2.106000 
1 1 1   12   17    3 o   11.400   1.7450 3.048000 3.489000 
1 1 1   12   17    4 o   26.350   0.7676 -0.6923000E-01 1.535000 
1 1 1   12   17    5 f   11.840   1.7140 -1.883000 3.428000 
1 1 1   12   17    6 o   23.080   0.8792 -2.037000 1.758000 
1 1 1   12   17    7 o   25.790   0.8127 -0.4478000 1.625000 
1 1 1   12   17    8 o   10.020   1.9120 2.196000 3.824000 
1 1 1   12   17    9 o   15.140   1.3880 -2.930000 2.775000 
1 1 1   12   17   10 o   25.280   0.8395 -0.9096000 1.679000 
1 1 1   12   17   11 o   9.9250   1.8850 3.759000 3.770000 
1 1 1   12   17   12 o   15.290   1.5200 8.235000 3.040000 
1 1 1   12   17   13 o   21.120   1.0090 0.1651000 2.018000 
1 1 1   12   17   14 o   21.810   0.9676 1.527000 1.935000 
1 1 1   12   17   15 f   21.660   1.0000 0.1700000 2.001000 
1 1 1   12   17   16 o   16.600   1.3420 1.177000 2.683000 
1 1 1   12   17   17 o   8.1140   1.9480 4.279000 3.896000 
1 1 1   12   17   18 o   13.470   1.6760 2.836000 3.352000 
1 1 1   12   17   19 o   7.1800   2.0140 -0.5331000 4.027000 
1 1 1   12   17   20 o   19.980   1.1120 -0.4821000 2.224000 
1 1 1   12   17   21 o   10.360   2.0070 -0.4290000 4.013000 
1 1 1   12   17   22 o   5.1150   1.6820 1.119000 3.364000 
1 1 1   12   17   23 o   7.7590   2.0770 -0.8327000 4.154000 
1 1 1   12   17   24 o   8.1990   2.0650 -1.867000 4.130000 
1 1 1   12   17   25 o   9.1470   2.0840 -0.1899000 4.167000 
1 1 1   12   17   26 o   5.9630   1.8630 0.5735000 3.726000 
1 1 1   12   18    0 o   6.5580   2.7010 -0.000000 0.000000 
1 1 1   12   18    1 o   27.250   0.7999 -0.3542000 1.600000 
1 1 1   12   18    2 o   24.150   0.8967 -0.8044000 1.793000 
1 1 1   12   18    3 o   11.620   1.8430 1.077000 3.686000 
1 1 1   12   18    4 o   7.9160   2.0180 -2.948000 4.036000 
1 1 1   12   18    5 o   17.010   1.2490 -1.348000 2.498000 
1 1 1   12   18    6 o   12.550   1.7380 6.406000 3.476000 
1 1 1   12   18    7 o   22.130   0.9965 3.006000 1.993000 
1 1 1   12   18    8 o   13.330   1.6650 -0.3363000 3.330000 
1 1 1   12   18    9 o   9.7020   1.9400 4.876000 3.880000 
1 1 1   12   18   10 o   25.510   0.8907 -0.1282000E-01 1.781000 
1 1 1   12   18   11 o   20.600   1.0720 -0.2559000 2.145000 
1 1 1   12   18   12 o   7.6160   2.0460 -0.6762000 4.092000 
1 1 1   12   18   13 o   16.550   1.3590 -1.821000 2.718000 
1 1 1   12   18   14 o   13.120   1.7510 2.023000 3.502000 
1 1 1   12   18   15 o   8.1090   2.0520 -2.437000 4.104000 
1 1 1   12   18   16 o   7.0400   1.9240 3.823000 3.848000 
1 1 1   12   18   17 o   15.790   1.4580 0.7347000 2.915000 
1 1 1   12   18   18 o   20.130   1.1520 -0.3714000 2.303000 
1 1 1   12   18   19 o   6.7640   1.9810 -0.6632000 3.961000 
1 1 1   12   18   20 o   8.8640   2.0660 1.982000 4.131000 
1 1 1   12   18   21 o   11.350   1.8760 3.000000 3.752000 
1 1 1   12   18   22 o   7.9280   1.9690 -3.499000 3.938000 
1 1 1   12   18   23 o   7.3750   1.9780 2.371000 3.957000 
1 1 1   12   18   24 o   10.400   2.0410 0.3653000 4.081000 
1 1 1   12   19    0 o   19.000   1.6260 -0.000000 0.000000 
1 1 1   12   19    1 o   9.4770   1.9620 4.487000 3.924000 
1 1 1   12   19    2 o   12.470   1.8440 -3.024000 3.689000 
1 1 1   12   19    3 o   23.030   0.9970 0.2267000 1.994000 
1 1 1   12   19    4 o   33.360   0.7370 0.7842000 1.474000 
1 1 1   12   19    5 o   11.030   2.0020 -1.404000 4.004000 
1 1 1   12   19    6 o   8.6180   2.0480 3.226000 4.096000 
1 1 1   12   19    7 o   9.6230   2.0560 -3.745000 4.111000 
1 1 1   12   19    8 o   13.400   1.8000 -6.731000 3.600000 
1 1 1   12   19    9 o   9.6930   2.1300 -2.176000 4.259000 
1 1 1   12   19   10 o   13.240   1.8000 -0.7860000 3.600000 
1 1 1   12   19   11 o   17.100   1.3760 -1.277000 2.753000 
1 1 1   12   19   12 o   15.870   1.5000 0.8356000 2.999000 
1 1 1   12   19   13 o   7.5420   2.0870 0.9132000E-01 4.175000 
1 1 1   12   19   14 o   7.6460   2.0930 -0.6785000 4.186000 
1 1 1   12   19   15 o   8.6180   2.1330 -0.2780000 4.267000 
1 1 1   12   19   16 o   7.3440   1.9590 -4.014000 3.917000 
1 1 1   12   19   17 o   8.6010   2.1110 0.1781000 4.223000 
1 1 1   12   19   18 o   14.770   1.5700 -3.012000 3.141000 
1 1 1   12   19   19 o   10.730   1.8790 5.727000 3.757000 
1 1 1   12   19   20 o   7.7930   1.8370 5.620000 3.674000 
1 1 1   12   19   21 o   7.2070   1.9370 3.298000 3.875000 
1 1 1   12   19   22 o   7.9870   2.0400 0.1577000E-01 4.080000 
1 1 1   12   19   23 o   6.4630   1.9000 2.049000 3.800000 
1 1 1   12   20    0 o   11.230   2.9380 -0.000000 0.000000 
1 1 1   12   20    1 o   13.900   1.7770 -1.781000 3.554000 
1 1 1   12   20    2 o   10.870   2.0960 -2.989000 4.191000 
1 1 1   12   20    3 o   6.9660   2.0010 -2.620000 4.002000 
1 1 1   12   20    4 o   7.6110   2.1190 0.4796000 4.238000 
1 1 1   12   20    5 o   24.300   1.0210 1.591000 2.041000 
1 1 1   12   20    6 o   10.940   2.1450 0.2804000E-01 4.291000 
1 1 1   12   20    7 o   16.360   1.5500 -4.078000 3.100000 
1 1 1   12   20    8 o   9.8290   2.1780 -1.064000 4.357000 
1 1 1   12   20    9 o   19.350   1.2650 -3.519000 2.530000 
1 1 1   12   20   10 o   23.280   1.0630 -2.854000 2.126000 
1 1 1   12   20   11 o   22.100   1.1060 -0.5259000 2.212000 
1 1 1   12   20   12 o   8.9510   2.1120 2.859000 4.224000 
1 1 1   12   20   13 o   8.5920   2.1480 -0.3365000 4.296000 
1 1 1   12   20   14 o   11.500   1.9740 1.201000 3.948000 
1 1 1   12   20   15 o   7.2390   2.0460 0.7561000E-01 4.092000 
1 1 1   12   20   16 o   13.970   1.6810 3.520000 3.362000 
1 1 1   12   20   17 o   9.0830   2.0740 -2.310000 4.148000 
1 1 1   12   20   18 o   6.3610   1.9130 -1.626000 3.826000 
1 1 1   12   20   19 o   6.2760   1.9110 -0.1830000 3.822000 
1 1 1   12   20   20 o   8.3040   1.7240 -7.251000 3.448000 
1 1 1   12   20   21 o   7.6220   1.9400 3.708000 3.879000 
1 1 1   12   21    0 o   9.2960   3.1040 -0.000000 0.000000 
1 1 1   12   21    1 o   13.100   1.9330 -3.452000 3.866000 
1 1 1   12   21    2 o   12.570   2.0060 -1.725000 4.012000 
1 1 1   12   21    3 o   7.3770   2.1200 -0.4020000 4.239000 
1 1 1   12   21    4 o   6.7110   2.0160 -1.692000 4.032000 
1 1 1   12   21    5 o   15.720   1.7410 7.854000 3.481000 
1 1 1   12   21    6 o   17.440   1.4480 0.3387000 2.896000 
1 1 1   12   21    7 o   10.100   2.0450 -5.632000 4.089000 
1 1 1   12   21    8 o   12.940   1.9410 -3.789000 3.882000 
1 1 1   12   21    9 o   12.200   2.0360 -0.8770000E-01 4.072000 
1 1 1   12   21   10 o   12.070   2.0460 -1.797000 4.092000 
1 1 1   12   21   11 o   12.490   1.9540 -1.156000 3.908000 
1 1 1   12   21   12 o   8.1820   1.9950 4.800000 3.990000 
1 1 1   12   21   13 f   11.040   2.0480 -0.9297000 4.095000 
1 1 1   12   21   14 o   10.160   1.9920 -4.001000 3.984000 
1 1 1   12   21   15 o   8.8400   2.0620 -2.837000 4.125000 
1 1 1   12   21   16 o   6.2190   1.9100 -0.5389000 3.820000 
1 1 1   12   21   17 o   7.9170   2.0220 2.948000 4.045000 
1 1 1   12   21   18 o   7.8660   2.0300 -1.899000 4.061000 
1 1 1   12   21   19 o   7.6740   2.0630 -0.8821000 4.125000 
1 1 1   12   22    0 o   18.390   1.9820 -0.000000 0.000000 
1 1 1   12   22    1 o   10.790   2.1980 -0.4471000 4.395000 
1 1 1   12   22    2 o   10.570   2.0940 4.701000 4.187000 
1 1 1   12   22    3 o   12.540   1.9470 -7.590000 3.894000 
1 1 1   12   22    4 o   8.1410   2.0420 -4.752000 4.084000 
1 1 1   12   22    5 f   11.070   2.2850 -1.746000 4.569000 
1 1 1   12   22    6 o   5.9680   1.8490 -3.703000 3.698000 
1 1 1   12   22    7 o   5.5360   1.8180 -0.5160000 3.637000 
1 1 1   12   22    8 o   7.1450   2.0590 1.829000 4.119000 
1 1 1   12   22    9 o   8.9360   2.1820 -1.230000 4.364000 
1 1 1   12   22   10 o   7.4040   2.0880 0.8783000 4.176000 
1 1 1   12   22   11 o   8.8430   1.9280 5.703000 3.856000 
1 1 1   12   22   12 o   5.8430   1.8500 0.4890000 3.701000 
1 1 1   12   22   13 o   5.9960   1.8820 -0.9271000E-01 3.764000 
1 1 1   12   22   14 o   7.2470   2.0160 1.263000 4.033000 
1 1 1   12   22   15 o   16.540   1.3140 -2.319000 2.629000 
1 1 1   12   22   16 f   7.9620   2.0300 -0.8018000 4.060000 
1 1 1   12   23    0 o   10.040   3.1750 -0.000000 0.000000 
1 1 1   12   23    1 o   7.8110   2.1270 2.601000 4.253000 
1 1 1   12   23    2 o   11.610   2.1320 -0.5300000 4.263000 
1 1 1   12   23    3 o   8.5760   2.2150 -0.1737000 4.430000 
1 1 1   12   23    4 o   7.3530   2.1290 -0.1302000 4.258000 
1 1 1   12   23    5 o   7.4910   2.1240 0.8731000 4.249000 
1 1 1   12   23    6 o   7.5650   2.1310 0.1509000 4.262000 
1 1 1   12   23    7 o   7.9230   2.1220 -2.195000 4.243000 
1 1 1   12   23    8 o   7.7860   2.1260 -1.251000 4.252000 
1 1 1   12   23    9 o   10.560   2.1250 -0.6861000 4.251000 
1 1 1   12   23   10 o   13.130   1.8280 -2.796000 3.656000 
1 1 1   12   23   11 o   4.8810   1.6390 -0.8661000E-01 3.278000 
1 1 1   12   23   12 o   9.6960   1.7810 -7.033000 3.562000 
1 1 1   12   23   13 o   8.3160   2.0140 -1.319000 4.028000 
1 1 1   12   24    0 o   6.3110   2.7860 -0.000000 0.000000 
1 1 1   12   24    1 o   6.7820   2.0210 -1.535000 4.043000 
1 1 1   12   24    2 o   5.7340   1.8370 -2.241000 3.673000 
1 1 1   12   24    3 o   7.1040   2.0870 0.2931000 4.174000 
1 1 1   12   24    4 o   9.6340   2.1880 1.340000 4.376000 
1 1 1   12   24    5 o   9.2350   2.1650 -1.709000 4.330000 
1 1 1   12   24    6 o   6.3420   1.9040 2.769000 3.807000 
1 1 1   12   24    7 o   6.0170   1.8670 1.748000 3.734000 
1 1 1   12   24    8 o   8.8130   2.0540 -2.945000 4.108000 
1 1 1   12   24    9 o   6.6530   1.9700 0.1126000 3.939000 
1 1 1   13    0    1 f   84.710   0.8858 -0.000000 0.000000 
1 1 1   13    0    2 o   14.680   0.3038 -0.000000 0.000000 
1 1 1   13    0    3 o   9.1490   0.4335 -0.000000 0.000000 
1 1 1   13    0    4 o   66.410   0.8055 -0.000000 0.000000 
1 1 1   13    0    5 o   22.340   0.3436 -0.000000 0.000000 
1 1 1   13    0    6 o   65.310   0.7935 -0.000000 0.000000 
1 1 1   13    0    7 f   53.330   0.6533 -0.000000 0.000000 
1 1 1   13    0    8 o   14.550   0.3371 -0.000000 0.000000 
1 1 1   13    0    9 o   40.950   0.6332 -0.000000 0.000000 
1 1 1   13    0   10 o   83.450   1.2470 -0.000000 0.000000 
1 1 1   13    0   11 o   6.3660   0.8746 -0.000000 0.000000 
1 1 1   13    0   12 o   5.7110   0.8914 -0.000000 0.000000 
1 1 1   13    0   13 o  101.700   2.1300 -0.000000 0.000000 
1 1 1   13    0   14 o   33.350   0.8348 -0.000000 0.000000 
1 1 1   13    0   15 o   37.920   0.9050 -0.000000 0.000000 
1 1 1   13    0   16 o   10.190   1.5940 -0.000000 0.000000 
1 1 1   13    0   17 o   5.7700   2.1400 -0.000000 0.000000 
1 1 1   13    0   18 o   9.8440   1.8060 -0.000000 0.000000 
1 1 1   13    0   19 o   5.4450   2.2370 -0.000000 0.000000 
1 1 1   13    0   20 o   7.6400   2.4450 -0.000000 0.000000 
1 1 1   13    0   21 o   40.370   1.0380 -0.000000 0.000000 
1 1 1   13    0   22 o   4.5220   2.0930 -0.000000 0.000000 
1 1 1   13    0   23 o   14.430   1.7300 -0.000000 0.000000 
1 1 1   13    0   24 o   14.540   1.8510 -0.000000 0.000000 
1 1 1   13    0   25 o   33.580   1.1010 -0.000000 0.000000 
1 1 1   13    0   26 o   8.5890   2.8550 -0.000000 0.000000 
1 1 1   13    0   27 o   17.320   0.5409 -0.000000 0.000000 
1 1 1   13    0   28 o   37.620   0.5798 -0.000000 0.000000 
1 1 1   13    0   29 o   24.390   0.5289 -0.000000 0.000000 
1 1 1   13    0   30 o   24.640   0.5483 -0.000000 0.000000 
1 1 1   13    0   31 o   11.320   0.9773 -0.000000 0.000000 
1 1 1   13    0   32 o   36.150   0.5871 -0.000000 0.000000 
1 1 1   13    0   33 o   11.620   0.9494 -0.000000 0.000000 
1 1 1   13    0   34 o   10.020   1.0750 -0.000000 0.000000 
1 1 1   13    0   35 o   7.1700   1.4450 -0.000000 0.000000 
1 1 1   13    1    0 o   95.970   1.4180 -0.000000 0.000000 
1 1 1   13    1    1 o  112.400   1.1720 -1.062000 2.344000 
1 1 1   13    1    2 o   36.390   0.4017 3.589000 0.8035000 
1 1 1   13    1    3 o   91.570   0.9568 -3.497000 1.914000 
1 1 1   13    1    4 o   45.520   0.4888 0.5468000 0.9776000 
1 1 1   13    1    5 o   86.920   0.9098 5.595000 1.820000 
1 1 1   13    1    6 o   48.790   0.5237 6.034000 1.047000 
1 1 1   13    1    7 o   37.990   0.5965      ?      ? 
1 1 1   13    1    8 o  103.100   1.0790 6.720000 2.158000 
1 1 1   13    1    9 o  148.700   1.5530 3.765000 3.106000 
1 1 1   13    1   10 o   37.980   0.6038      ?      ? 
1 1 1   13    1   11 f   65.400   0.6377 -2.785000 1.275000 
1 1 1   13    1   12 o   54.090   0.5360 -1.117000 1.072000 
1 1 1   13    1   13 o   37.370   0.6053      ?      ? 
1 1 1   13    1   14 o   11.510   0.4844 -2.048000 0.9687000 
1 1 1   13    1   15 o   12.610   0.7120 -3.671000 1.424000 
1 1 1   13    1   16 o   28.630   0.5334      ?      ? 
1 1 1   13    1   17 o   16.330   0.5739      ?      ? 
1 1 1   13    1   18 o   12.350   0.7664      ?      ? 
1 1 1   13    1   19 o   8.8110   1.1020      ?      ? 
1 1 1   13    1   20 o   41.250   0.6165 0.5789000 1.233000 
1 1 1   13    1   21 o   33.680   0.5840 6.254000 1.168000 
1 1 1   13    1   22 o   27.120   1.0420      ?      ? 
1 1 1   13    1   23 o   46.140   0.6389 -1.800000 1.278000 
1 1 1   13    1   24 o   30.730   0.6244 2.915000 1.249000 
1 1 1   13    1   25 o   16.850   0.9332 2.757000 1.866000 
1 1 1   13    1   26 o   14.070   1.2530 3.091000 2.507000 
1 1 1   13    1   27 o   26.680   0.6944 -0.9364000 1.389000 
1 1 1   13    1   28 o   43.450   0.6844 -2.122000 1.369000 
1 1 1   13    1   29 o   15.240   1.5010 3.941000 3.002000 
1 1 1   13    1   30 o   23.880   0.8460 -0.7236000 1.692000 
1 1 1   13    1   31 o   9.1870   1.6310 3.856000 3.261000 
1 1 1   13    1   32 o   23.540   0.8677 -0.3469000E-01 1.735000 
1 1 1   13    1   33 o   9.9920   1.7630 -0.2108000 3.526000 
1 1 1   13    1   34 o   8.7290   1.7650 -0.1099000 3.531000 
1 1 1   13    1   35 o   9.7360   1.7820 -0.3478000 3.563000 
1 1 1   13    2    0 o  163.700   2.4110 -0.000000 0.000000 
1 1 1   13    2    1 o  117.700   1.2280 6.095000 2.456000 
1 1 1   13    2    2 o   30.300   0.3663 -6.419000 0.7326000 
1 1 1   13    2    3 o  111.200   1.1610 4.353000 2.323000 
1 1 1   13    2    4 o   37.640   0.4228 -0.6831000 0.8455000 
1 1 1   13    2    5 o  149.500   1.5590 2.838000 3.117000 
1 1 1   13    2    6 o   35.520   0.4111 3.132000 0.8223000 
1 1 1   13    2    7 o  112.300   1.1730 4.059000 2.347000 
1 1 1   13    2    8 o   40.890   0.4239 -5.693000 0.8478000 
1 1 1   13    2    9 o   55.440   0.5465 -3.799000 1.093000 
1 1 1   13    2   10 o   67.450   0.6492 3.881000 1.298000 
1 1 1   13    2   11 o   61.920   0.7638      ?      ? 
1 1 1   13    2   12 o   85.700   0.8254 -2.022000 1.651000 
1 1 1   13    2   13 o   11.310   0.6299      ?      ? 
1 1 1   13    2   14 f   46.050   0.4144 -0.5665000 0.8287000 
1 1 1   13    2   15 o   4.5110   0.8138 -2.692000 1.628000 
1 1 1   13    2   16 o   27.070   0.2990 0.1959000 0.5980000 
1 1 1   13    2   17 o   25.110   0.3397 -3.937000 0.6794000 
1 1 1   13    2   18 o   42.960   0.4497 1.320000 0.8994000 
1 1 1   13    2   19 o   9.8180   0.6956 -6.999000 1.391000 
1 1 1   13    2   20 o   19.990   0.3629 -2.814000 0.7259000 
1 1 1   13    2   21 o   23.320   0.4539 -0.1563000 0.9079000 
1 1 1   13    2   22 o   33.550   0.4666 4.134000 0.9331000 
1 1 1   13    2   23 o   36.980   0.5707 -1.295000 1.141000 
1 1 1   13    2   24 o   17.580   0.7671      ?      ? 
1 1 1   13    2   25 o   21.910   0.7362      ?      ? 
1 1 1   13    2   26 o   19.190   0.7898      ?      ? 
1 1 1   13    2   27 o   33.720   0.5764 -1.208000 1.153000 
1 1 1   13    2   28 o   23.230   0.5946 -2.365000 1.189000 
1 1 1   13    2   29 o   16.040   0.7916 -0.1443000 1.583000 
1 1 1   13    2   30 o   22.300   0.5145 -3.104000 1.029000 
1 1 1   13    2   31 o   15.410   0.6973 -2.910000 1.395000 
1 1 1   13    2   32 o   17.930   0.6081 2.015000 1.216000 
1 1 1   13    2   33 o   15.970   0.6627 1.464000 1.325000 
1 1 1   13    2   34 o   6.4100   1.8240 -2.223000 3.648000 
1 1 1   13    2   35 o   5.9790   1.6270 0.8858000 3.255000 
1 1 1   13    3    0 o  221.300   3.2580 -0.000000 0.000000 
1 1 1   13    3    1 o   62.770   0.6671 -1.194000 1.334000 
1 1 1   13    3    2 o   42.100   0.4726 -4.765000 0.9452000 
1 1 1   13    3    3 o   35.980   0.4235 1.465000 0.8471000 
1 1 1   13    3    4 o   35.090   0.4201 -3.715000 0.8401000 
1 1 1   13    3    5 o   81.120   0.7839 -4.066000 1.568000 
1 1 1   13    3    6 o  123.900   1.1820 -1.758000 2.365000 
1 1 1   13    3    7 o   70.530   0.6824 -0.2339000 1.365000 
1 1 1   13    3    8 o   78.040   0.6727 -3.923000 1.345000 
1 1 1   13    3    9 o  104.100   0.8903 -2.932000 1.781000 
1 1 1   13    3   10 o   57.650   0.5080 -2.793000 1.016000 
1 1 1   13    3   11 o   61.850   0.5411 0.1289000E-02 1.082000 
1 1 1   13    3   12 o   64.630   0.6346 -4.685000 1.269000 
1 1 1   13    3   13 o   73.760   0.6388 5.501000 1.278000 
1 1 1   13    3   14 o   22.720   0.3282 5.062000 0.6563000 
1 1 1   13    3   15 o   31.060   0.3365 -1.511000 0.6730000 
1 1 1   13    3   16 o   7.2500   0.8720 4.581000 1.744000 
1 1 1   13    3   17 o   15.950   0.3984 -1.631000 0.7969000 
1 1 1   13    3   18 o   25.070   0.3739 1.689000 0.7479000 
1 1 1   13    3   19 o   30.680   0.3930 -2.853000 0.7861000 
1 1 1   13    3   20 o   43.870   0.5119 -1.323000 1.024000 
1 1 1   13    3   21 o   51.060   0.6640      ?      ? 
1 1 1   13    3   22 o   39.270   0.4503 0.8067000 0.9007000 
1 1 1   13    3   23 o   84.840   0.8288 -1.135000 1.658000 
1 1 1   13    3   24 o   16.350   0.6226 -3.139000 1.245000 
1 1 1   13    3   25 o   20.110   0.5133 -1.843000 1.027000 
1 1 1   13    3   26 o   28.570   0.4655 1.340000 0.9310000 
1 1 1   13    3   27 o   42.750   0.5661 -0.1786000 1.132000 
1 1 1   13    3   28 o   28.260   0.6347 -0.7878000E-01 1.269000 
1 1 1   13    3   29 o   30.700   0.6392 -0.5144000 1.278000 
1 1 1   13    3   30 o   10.910   1.4380 -1.185000 2.875000 
1 1 1   13    3   31 o   16.510   0.9672 0.1840000 1.934000 
1 1 1   13    3   32 o   20.960   0.7819 -1.885000 1.564000 
1 1 1   13    3   33 o   14.760   1.0880 3.050000 2.176000 
1 1 1   13    3   34 o   12.890   1.0740 0.7095000 2.147000 
1 1 1   13    3   35 o   8.2700   1.3170 -0.1105000 2.635000 
1 1 1   13    4    0 o   95.110   1.4130 -0.000000 0.000000 
1 1 1   13    4    1 o   87.100   0.8436 -6.453000 1.687000 
1 1 1   13    4    2 o   81.080   0.7779 3.862000 1.556000 
1 1 1   13    4    3 o   56.630   0.5617 -0.6241000 1.123000 
1 1 1   13    4    4 o   59.320   0.5217 -0.5692000E-01 1.043000 
1 1 1   13    4    5 o   69.350   0.6025 -4.438000 1.205000 
1 1 1   13    4    6 o   33.510   0.3530 3.793000 0.7060000 
1 1 1   13    4    7 f   60.850   0.5352 -2.102000 1.070000 
1 1 1   13    4    8 o   76.430   0.6611 2.813000 1.322000 
1 1 1   13    4    9 o   73.110   0.6343 0.2006000 1.269000 
1 1 1   13    4   10 o   67.900   0.5926 -0.1096000 1.185000 
1 1 1   13    4   11 o  120.600   1.0310 -1.713000 2.062000 
1 1 1   13    4   12 o   61.100   0.5384 2.276000 1.077000 
1 1 1   13    4   13 o   41.130   0.3970 2.517000 0.7940000 
1 1 1   13    4   14 o   9.7130   0.7673 -4.455000 1.535000 
1 1 1   13    4   15 o   30.340   0.3537 2.998000 0.7074000 
1 1 1   13    4   16 o   58.040   0.5168 4.357000 1.034000 
1 1 1   13    4   17 o   17.550   0.4889 4.226000 0.9777000 
1 1 1   13    4   18 o   28.600   0.3715 1.124000 0.7430000 
1 1 1   13    4   19 o   29.530   0.6442      ?      ? 
1 1 1   13    4   20 o   70.190   0.6180 -0.8122000 1.236000 
1 1 1   13    4   21 o   17.970   0.5584 1.639000 1.117000 
1 1 1   13    4   22 o   12.090   1.0960      ?      ? 
1 1 1   13    4   23 o   18.390   0.6011 -1.389000 1.202000 
1 1 1   13    4   24 o   55.690   0.5772 -0.8227000 1.154000 
1 1 1   13    4   25 o   40.660   0.4879 0.7536000 0.9759000 
1 1 1   13    4   26 o   35.520   0.4868 1.083000 0.9736000 
1 1 1   13    4   27 o   22.980   0.5869 -1.144000 1.174000 
1 1 1   13    4   28 o   43.370   0.5884 1.806000 1.177000 
1 1 1   13    4   29 o   7.8880   1.5580 -3.325000 3.116000 
1 1 1   13    4   30 o   13.040   1.0930 1.945000 2.185000 
1 1 1   13    4   31 f   7.7880   1.7490 2.181000 3.498000 
1 1 1   13    4   32 o   25.970   0.6692 -0.1595000E-01 1.338000 
1 1 1   13    4   33 o   8.6430   1.8400 -0.3807000 3.680000 
1 1 1   13    4   34 o   7.5060   1.7670 -1.986000 3.534000 
1 1 1   13    4   35 o   6.7240   1.5790 4.101000 3.157000 
1 1 1   13    5    0 o   31.280   0.4370 -0.000000 0.000000 
1 1 1   13    5    1 o  113.600   0.9067 -4.375000 1.813000 
1 1 1   13    5    2 o   45.100   0.3991 -4.689000 0.7981000 
1 1 1   13    5    3 o  131.500   1.0520 4.982000 2.105000 
1 1 1   13    5    4 o   57.930   0.5184 -7.672000 1.037000 
1 1 1   13    5    5 o   27.180   0.3672 1.109000 0.7343000 
1 1 1   13    5    6 o   53.380   0.4842 -1.697000 0.9685000 
1 1 1   13    5    7 o   77.100   0.6695 -0.9098000 1.339000 
1 1 1   13    5    8 o   80.350   0.6966 1.304000 1.393000 
1 1 1   13    5    9 o   60.080   0.5365 -3.359000 1.073000 
1 1 1   13    5   10 o   77.030   0.6695 -2.317000 1.339000 
1 1 1   13    5   11 o   63.750   0.5636 3.110000 1.127000 
1 1 1   13    5   12 o   22.470   0.4049 3.414000 0.8097000 
1 1 1   13    5   13 o   66.650   0.5861 -2.679000 1.172000 
1 1 1   13    5   14 o   34.640   0.3837 2.096000 0.7675000 
1 1 1   13    5   15 o   56.910   0.5118 0.4731000 1.024000 
1 1 1   13    5   16 o   71.460   0.6251 -0.1012000E-01 1.250000 
1 1 1   13    5   17 o   3.3890   1.1100 1.171000 2.220000 
1 1 1   13    5   18 o   15.020   0.6515 -2.723000 1.303000 
1 1 1   13    5   19 o   90.380   0.7824 2.371000 1.565000 
1 1 1   13    5   20 f   14.310   0.7309 0.6085000E-01 1.462000 
1 1 1   13    5   21 o   12.380   0.8581 -0.9332000 1.716000 
1 1 1   13    5   22 o   29.770   0.4291 2.775000 0.8581000 
1 1 1   13    5   23 o   18.530   0.6445 3.115000 1.289000 
1 1 1   13    5   24 f   21.010   0.8848      ?      ? 
1 1 1   13    5   25 o   21.730   0.6618 2.151000 1.324000 
1 1 1   13    5   26 o   9.6930   1.4230 -5.258000 2.845000 
1 1 1   13    5   27 o   14.990   0.8968 -1.337000 1.794000 
1 1 1   13    5   28 o   17.670   0.8124 -0.5208000E-01 1.625000 
1 1 1   13    5   29 f   24.490   0.6446 -0.7419000 1.289000 
1 1 1   13    5   30 o   28.300   0.5979 -1.755000 1.196000 
1 1 1   13    5   31 o   15.950   0.9483 -2.021000 1.897000 
1 1 1   13    5   32 o   9.3130   1.5720 0.5641000 3.144000 
1 1 1   13    5   33 o   20.980   0.7199 -0.7502000 1.440000 
1 1 1   13    5   34 o   5.4780   1.5180 2.183000 3.035000 
1 1 1   13    5   35 o   7.0970   1.6880 -3.751000 3.375000 
1 1 1   13    6    0 o  118.800   1.2460 -0.000000 0.000000 
1 1 1   13    6    1 o   72.280   0.5491 2.526000 1.098000 
1 1 1   13    6    2 o   92.180   0.6887 -1.857000 1.377000 
1 1 1   13    6    3 f   90.950   0.7300 -8.496000 1.460000 
1 1 1   13    6    4 o   65.540   0.5445 1.225000 1.089000 
1 1 1   13    6    5 o   60.660   0.5125 4.912000 1.025000 
1 1 1   13    6    6 o  100.700   0.8114 1.740000 1.623000 
1 1 1   13    6    7 o  100.900   0.8112 -0.1102000E-01 1.622000 
1 1 1   13    6    8 o   54.390   0.4691 0.4210000 0.9381000 
1 1 1   13    6    9 f   68.580   0.6069 -6.908000 1.214000 
1 1 1   13    6   10 o   72.070   0.6332 5.326000 1.266000 
1 1 1   13    6   11 o   32.670   0.4063 -6.082000 0.8125000 
1 1 1   13    6   12 o   29.770   0.4088 5.073000 0.8177000 
1 1 1   13    6   13 o   48.010   0.4600 -0.2860000 0.9199000 
1 1 1   13    6   14 o   48.350   0.4662 -5.853000 0.9323000 
1 1 1   13    6   15 o   47.400   0.4587 -1.057000 0.9174000 
1 1 1   13    6   16 o   47.400   0.4589 -0.2700000 0.9178000 
1 1 1   13    6   17 o   11.880   0.8997 2.044000 1.799000 
1 1 1   13    6   18 o   45.490   0.4585 -5.005000 0.9170000 
1 1 1   13    6   19 o   18.640   0.5681 -0.1059000 1.136000 
1 1 1   13    6   20 o   21.580   0.5772 -3.062000 1.154000 
1 1 1   13    6   21 o   39.350   0.5440 1.857000 1.088000 
1 1 1   13    6   22 o   25.550   0.5033 5.714000 1.007000 
1 1 1   13    6   23 o   28.420   0.4858 2.575000 0.9717000 
1 1 1   13    6   24 o   36.470   0.5199 3.059000 1.040000 
1 1 1   13    6   25 o   16.770   1.0140      ?      ? 
1 1 1   13    6   26 o   19.790   0.7412 -0.5784000 1.482000 
1 1 1   13    6   27 o   34.850   0.5607 -1.635000 1.121000 
1 1 1   13    6   28 o   11.590   1.4600 3.694000 2.921000 
1 1 1   13    6   29 o   6.8830   1.7390 -2.386000 3.479000 
1 1 1   13    6   30 o   33.370   0.7355      ?      ? 
1 1 1   13    6   31 o   10.050   1.5310 4.569000 3.062000 
1 1 1   13    6   32 o   6.7160   1.7440 -2.117000 3.489000 
1 1 1   13    6   33 o   11.910   1.4390 3.746000 2.879000 
1 1 1   13    6   34 o   13.020   1.1590 -1.347000 2.318000 
1 1 1   13    7    0 o   6.4980   1.7000 -0.000000 0.000000 
1 1 1   13    7    1 o   37.930   0.3615 1.530000 0.7229000 
1 1 1   13    7    2 o   74.000   0.5639 -2.855000 1.128000 
1 1 1   13    7    3 o   31.410   0.3581 -0.9466000 0.7161000 
1 1 1   13    7    4 o   15.150   0.5638 -5.412000 1.128000 
1 1 1   13    7    5 o   25.380   0.3805 0.5613000 0.7609000 
1 1 1   13    7    6 o   33.770   0.3918 -3.239000 0.7837000 
1 1 1   13    7    7 o   29.780   0.3974 -1.419000 0.7947000 
1 1 1   13    7    8 o   67.730   0.5618 -5.634000 1.124000 
1 1 1   13    7    9 o   26.030   0.4517 -6.642000 0.9034000 
1 1 1   13    7   10 o   49.570   0.4475 2.663000 0.8950000 
1 1 1   13    7   11 o   26.630   0.4138 -1.528000 0.8276000 
1 1 1   13    7   12 o   16.360   0.6050 0.3264000 1.210000 
1 1 1   13    7   13 o   43.470   0.4236 -2.526000 0.8473000 
1 1 1   13    7   14 o   45.740   0.4369 1.896000 0.8739000 
1 1 1   13    7   15 f   48.990   0.4519 3.734000 0.9037000 
1 1 1   13    7   16 f   19.060   0.5494 -1.392000 1.099000 
1 1 1   13    7   17 f   13.370   0.7664 0.6326000 1.533000 
1 1 1   13    7   18 o   19.970   0.6600 5.187000 1.320000 
1 1 1   13    7   19 o   31.850   0.4680 0.2545000 0.9360000 
1 1 1   13    7   20 o   32.060   0.5319 2.674000 1.064000 
1 1 1   13    7   21 o   6.4820   1.2660 5.813000 2.531000 
1 1 1   13    7   22 o   19.040   0.6668 -2.244000 1.334000 
1 1 1   13    7   23 o   66.280   0.6098 -1.638000 1.220000 
1 1 1   13    7   24 o   31.420   0.5130 -0.8068000 1.026000 
1 1 1   13    7   25 o   35.650   0.5081 -2.433000 1.016000 
1 1 1   13    7   26 o   21.690   1.1610      ?      ? 
1 1 1   13    7   27 o   26.290   0.6999 1.912000 1.400000 
1 1 1   13    7   28 o   7.4990   1.7790 1.069000 3.559000 
1 1 1   13    7   29 o   19.990   0.8907 2.032000 1.781000 
1 1 1   13    7   30 o   19.620   0.8880 0.6550000 1.776000 
1 1 1   13    7   31 o   15.620   1.0210 -0.7575000 2.042000 
1 1 1   13    7   32 o   8.3760   1.7360 0.2234000 3.473000 
1 1 1   13    7   33 o   8.7280   1.6500 1.220000 3.300000 
1 1 1   13    7   34 o   8.3720   1.6350 -0.2796000 3.269000 
1 1 1   13    8    0 o   8.4530   1.5060 -0.000000 0.000000 
1 1 1   13    8    1 o   22.810   0.4276 3.310000 0.8552000 
1 1 1   13    8    2 o   63.180   0.4961 -3.439000 0.9922000 
1 1 1   13    8    3 o   67.900   0.5268 0.6892000 1.054000 
1 1 1   13    8    4 o   14.900   0.6269 4.328000 1.254000 
1 1 1   13    8    5 o   74.290   0.6157 -1.634000 1.231000 
1 1 1   13    8    6 o   41.390   0.3889 3.608000 0.7778000 
1 1 1   13    8    7 o   69.120   0.5354 1.257000 1.071000 
1 1 1   13    8    8 o   18.140   0.5822 3.193000 1.164000 
1 1 1   13    8    9 o   32.760   0.4187 3.305000 0.8374000 
1 1 1   13    8   10 o   21.170   0.5242 3.653000 1.048000 
1 1 1   13    8   11 o   18.480   0.6532 -7.840000 1.306000 
1 1 1   13    8   12 o   63.400   0.5445 0.1866000 1.089000 
1 1 1   13    8   13 o   20.180   0.5590 -1.214000 1.118000 
1 1 1   13    8   14 o   41.720   0.4356 5.646000 0.8711000 
1 1 1   13    8   15 o   28.650   0.4539 5.613000 0.9078000 
1 1 1   13    8   16 o   16.280   0.6874 1.143000 1.375000 
1 1 1   13    8   17 o   34.940   0.4393 1.445000 0.8786000 
1 1 1   13    8   18 o   9.6230   1.2250 7.279000 2.450000 
1 1 1   13    8   19 o   27.600   0.5010 -0.2423000 1.002000 
1 1 1   13    8   20 f   31.100   0.4825 0.6622000 0.9650000 
1 1 1   13    8   21 o   32.150   0.5252 0.5101000 1.050000 
1 1 1   13    8   22 o   40.340   0.4744 1.781000 0.9487000 
1 1 1   13    8   23 o   49.800   0.5749 1.884000 1.150000 
1 1 1   13    8   24 o   31.630   0.5272 -1.417000 1.054000 
1 1 1   13    8   25 o   25.500   0.6110 -0.1660000 1.222000 
1 1 1   13    8   26 o   20.880   0.7434 -0.7214000 1.487000 
1 1 1   13    8   27 o   16.880   1.0010 1.570000 2.002000 
1 1 1   13    8   28 o   11.730   1.5040 4.588000 3.008000 
1 1 1   13    8   29 o   12.970   1.3360 -0.9786000 2.672000 
1 1 1   13    8   30 o   9.2200   1.8050 -3.306000 3.610000 
1 1 1   13    8   31 o   16.140   1.0810 -5.944000 2.162000 
1 1 1   13    8   32 o   18.340   0.9132 -1.550000 1.826000 
1 1 1   13    8   33 o   7.1440   1.6760 2.913000 3.352000 
1 1 1   13    9    0 o   32.020   0.5740 -0.000000 0.000000 
1 1 1   13    9    1 o   45.930   0.4177 0.8134000 0.8353000 
1 1 1   13    9    2 o   19.310   0.5444 -3.018000 1.089000 
1 1 1   13    9    3 o   51.930   0.4450 7.902000 0.8899000 
1 1 1   13    9    4 o   11.280   1.0620 6.888000 2.124000 
1 1 1   13    9    5 o   23.740   0.4668 0.7557000 0.9337000 
1 1 1   13    9    6 o   44.520   0.4477 -2.005000 0.8954000 
1 1 1   13    9    7 f   46.780   0.4224 -3.564000 0.8448000 
1 1 1   13    9    8 o   25.000   0.4544 -1.177000 0.9088000 
1 1 1   13    9    9 o   21.200   0.5203 -0.4466000E-01 1.041000 
1 1 1   13    9   10 o   18.410   0.6660 -2.712000 1.332000 
1 1 1   13    9   11 o   12.020   1.0530 -4.384000 2.105000 
1 1 1   13    9   12 o   15.570   0.7707 -0.8261000 1.541000 
1 1 1   13    9   13 o   32.240   0.4533 1.143000 0.9066000 
1 1 1   13    9   14 o   39.650   0.5100 1.207000 1.020000 
1 1 1   13    9   15 o   50.400   0.4784 -0.6242000 0.9567000 
1 1 1   13    9   16 o   38.990   0.4500 -1.269000 0.9000000 
1 1 1   13    9   17 o   23.110   0.5694 2.437000 1.139000 
1 1 1   13    9   18 o   6.8380   1.5970 5.092000 3.193000 
1 1 1   13    9   19 o   30.320   0.5176 0.2174000 1.035000 
1 1 1   13    9   20 o   18.690   0.8716 -1.185000 1.743000 
1 1 1   13    9   21 o   49.430   0.5038 0.7990000 1.008000 
1 1 1   13    9   22 o   42.120   0.4976 -2.867000 0.9953000 
1 1 1   13    9   23 o   19.850   0.7797 -2.648000 1.559000 
1 1 1   13    9   24 o   10.640   1.6650 -3.803000 3.329000 
1 1 1   13    9   25 o   38.810   0.5410 -1.940000 1.082000 
1 1 1   13    9   26 o   43.770   0.5376 -2.329000 1.075000 
1 1 1   13    9   27 o   6.1490   1.7460 1.542000 3.492000 
1 1 1   13    9   28 o   19.300   0.8837 -0.1173000 1.767000 
1 1 1   13    9   29 o   6.6940   1.7480 -3.987000 3.495000 
1 1 1   13    9   30 o   12.030   1.5360 3.879000 3.071000 
1 1 1   13    9   31 o   11.510   1.5370 1.291000 3.075000 
1 1 1   13    9   32 o   13.070   1.2970 -0.3472000 2.593000 
1 1 1   13    9   33 o   13.220   1.2470 -2.845000 2.493000 
1 1 1   13   10    0 o   13.130   1.1880 -0.000000 0.000000 
1 1 1   13   10    1 o   20.430   0.5563 1.218000 1.113000 
1 1 1   13   10    2 o   25.250   0.4842 5.523000 0.9683000 
1 1 1   13   10    3 o   34.200   0.4246 -2.349000 0.8492000 
1 1 1   13   10    4 o   16.390   0.6934 -2.755000 1.387000 
1 1 1   13   10    5 o   45.070   0.4309 3.114000 0.8618000 
1 1 1   13   10    6 o   36.570   0.4185 -1.643000 0.8369000 
1 1 1   13   10    7 o   35.200   0.4616 -1.304000 0.9233000 
1 1 1   13   10    8 o   20.570   0.5645 2.559000 1.129000 
1 1 1   13   10    9 o   22.090   0.5389 1.142000 1.078000 
1 1 1   13   10   10 o   42.850   0.4257 -0.5886000E-02 0.8514000 
1 1 1   13   10   11 o   45.680   0.4345 2.772000 0.8691000 
1 1 1   13   10   12 o   32.160   0.5409 3.819000 1.082000 
1 1 1   13   10   13 o   14.550   1.0010 2.003000 2.002000 
1 1 1   13   10   14 o   17.940   0.7219 -0.4659000E-01 1.444000 
1 1 1   13   10   15 o   33.890   0.5521 1.391000 1.104000 
1 1 1   13   10   16 o   54.630   0.5159 0.8792000 1.032000 
1 1 1   13   10   17 o   33.420   0.5841 0.5823000 1.168000 
1 1 1   13   10   18 f   23.310   0.6565 -1.740000 1.313000 
1 1 1   13   10   19 o   11.850   1.2840 1.207000 2.567000 
1 1 1   13   10   20 o   51.250   0.5235 -0.1900000 1.047000 
1 1 1   13   10   21 o   19.740   0.8656 -0.2036000 1.731000 
1 1 1   13   10   22 o   13.440   1.2180 -0.3018000 2.437000 
1 1 1   13   10   23 o   14.020   1.1970 0.6193000 2.394000 
1 1 1   13   10   24 o   44.430   0.5446 0.5773000E-01 1.089000 
1 1 1   13   10   25 o   11.260   1.6240 -2.264000 3.247000 
1 1 1   13   10   26 o   9.1510   1.8470 0.3819000E-01 3.693000 
1 1 1   13   10   27 o   16.850   1.0940 0.1833000 2.187000 
1 1 1   13   10   28 o   8.1820   1.8800 -1.597000 3.760000 
1 1 1   13   10   29 o   11.300   1.6410 0.8301000E-01 3.283000 
1 1 1   13   10   30 o   15.550   1.2470 1.145000 2.495000 
1 1 1   13   10   31 o   18.120   0.9903 -0.8394000 1.981000 
1 1 1   13   10   32 o   11.840   1.4950 -1.404000 2.990000 
1 1 1   13   11    0 o   5.7860   2.1590 -0.000000 0.000000 
1 1 1   13   11    1 o   9.9710   1.2640 4.255000 2.528000 
1 1 1   13   11    2 o   32.050   0.4561 1.470000 0.9122000 
1 1 1   13   11    3 o   41.810   0.4734 1.700000 0.9469000 
1 1 1   13   11    4 o   48.940   0.4510 -2.732000 0.9020000 
1 1 1   13   11    5 o   48.720   0.4534 0.8411000 0.9068000 
1 1 1   13   11    6 o   11.110   1.1180 0.5414000 2.236000 
1 1 1   13   11    7 o   21.160   0.6006 -4.029000 1.201000 
1 1 1   13   11    8 f   21.160   0.6012 -0.6941000 1.202000 
1 1 1   13   11    9 o   18.900   0.7284 1.403000 1.457000 
1 1 1   13   11   10 o   36.620   0.4483 1.219000 0.8966000 
1 1 1   13   11   11 o   18.690   0.6849 0.4025000 1.370000 
1 1 1   13   11   12 o   16.590   0.7765 2.618000 1.553000 
1 1 1   13   11   13 o   21.230   0.6871 -1.070000 1.374000 
1 1 1   13   11   14 o   31.900   0.6023 1.465000 1.205000 
1 1 1   13   11   15 o   62.290   0.5657 0.7282000 1.131000 
1 1 1   13   11   16 o   33.910   0.5296 -1.634000 1.059000 
1 1 1   13   11   17 o   9.2540   1.7570 -1.638000 3.515000 
1 1 1   13   11   18 o   21.770   0.7416 0.9764000 1.483000 
1 1 1   13   11   19 o   35.160   0.6391 1.350000 1.278000 
1 1 1   13   11   20 o   9.1700   1.7600 -3.654000 3.521000 
1 1 1   13   11   21 o   11.350   1.5270 0.7292000E-01 3.053000 
1 1 1   13   11   22 o   10.160   1.6010 7.113000 3.203000 
1 1 1   13   11   23 o   48.490   0.6529 -0.6356000 1.306000 
1 1 1   13   11   24 o   28.120   0.7308 -0.7040000 1.462000 
1 1 1   13   11   25 o   20.580   1.0260 0.1997000 2.051000 
1 1 1   13   11   26 o   13.670   1.6820 -2.719000 3.364000 
1 1 1   13   11   27 o   21.050   0.9395 0.3892000 1.879000 
1 1 1   13   11   28 o   9.5960   1.9180 0.7293000 3.835000 
1 1 1   13   11   29 o   21.230   0.9266 2.111000 1.853000 
1 1 1   13   11   30 o   11.800   1.6110 -0.7268000 3.221000 
1 1 1   13   11   31 o   9.5800   1.8560 -0.7654000E-02 3.713000 
1 1 1   13   11   32 o   9.2980   1.8610 1.576000 3.721000 
1 1 1   13   12    0 o   33.400   0.6740 -0.000000 0.000000 
1 1 1   13   12    1 o   30.690   0.4878 -0.9513000 0.9757000 
1 1 1   13   12    2 o   23.370   0.5882 -2.030000 1.176000 
1 1 1   13   12    3 o   19.550   0.7413 -3.516000 1.483000 
1 1 1   13   12    4 o   29.670   0.4993 -3.444000 0.9985000 
1 1 1   13   12    5 o   16.800   0.8305 -1.069000 1.661000 
1 1 1   13   12    6 f   24.740   0.5724 1.944000 1.145000 
1 1 1   13   12    7 f   26.870   0.5424 -4.086000 1.085000 
1 1 1   13   12    8 o   35.820   0.4707 1.407000 0.9414000 
1 1 1   13   12    9 o   48.690   0.4715 1.986000 0.9431000 
1 1 1   13   12   10 o   16.010   0.8887 -4.751000 1.777000 
1 1 1   13   12   11 o   5.4080   1.4670 3.423000 2.934000 
1 1 1   13   12   12 o   38.990   0.5149 -0.3146000 1.030000 
1 1 1   13   12   13 o   18.380   0.8422 1.856000 1.684000 
1 1 1   13   12   14 o   21.260   0.7474 -1.869000 1.495000 
1 1 1   13   12   15 o   28.780   0.6119 1.018000 1.224000 
1 1 1   13   12   16 f   12.870   1.3010 3.210000 2.603000 
1 1 1   13   12   17 o   21.330   0.7984 0.7831000 1.597000 
1 1 1   13   12   18 o   18.160   0.9562 3.403000 1.912000 
1 1 1   13   12   19 o   39.980   0.6516 0.4993000 1.303000 
1 1 1   13   12   20 o   18.500   0.9895 1.716000 1.979000 
1 1 1   13   12   21 o   26.720   0.7383 1.153000 1.477000 
1 1 1   13   12   22 f   21.740   0.9187 -1.008000 1.837000 
1 1 1   13   12   23 o   14.750   1.4790 -4.649000 2.958000 
1 1 1   13   12   24 o   17.400   1.1880 0.2712000 2.376000 
1 1 1   13   12   25 o   13.510   1.5310 2.831000 3.063000 
1 1 1   13   12   26 o   9.0130   1.9420 3.810000 3.884000 
1 1 1   13   12   27 o   17.750   1.2990 7.397000 2.598000 
1 1 1   13   12   28 o   7.7100   1.9560 -1.185000 3.912000 
1 1 1   13   12   29 o   8.2060   1.8530 4.927000 3.705000 
1 1 1   13   12   30 o   12.620   1.5770 5.059000 3.153000 
1 1 1   13   12   31 o   10.560   1.7400 2.098000 3.480000 
1 1 1   13   13    0 o   9.3970   2.3790 -0.000000 0.000000 
1 1 1   13   13    1 o   25.410   0.5935 -0.3566000 1.187000 
1 1 1   13   13    2 o   6.1160   1.6090 -1.650000 3.218000 
1 1 1   13   13    3 o   24.150   0.6100 1.645000 1.220000 
1 1 1   13   13    4 o   53.010   0.4914 2.727000 0.9828000 
1 1 1   13   13    5 o   40.760   0.4820 4.801000 0.9639000 
1 1 1   13   13    6 o   23.680   0.6402 0.7735000 1.280000 
1 1 1   13   13    7 o   33.090   0.5286 4.949000 1.057000 
1 1 1   13   13    8 o   44.310   0.4860 0.1943000 0.9719000 
1 1 1   13   13    9 o   44.520   0.4858 0.7437000 0.9716000 
1 1 1   13   13   10 o   34.980   0.5140 2.411000 1.028000 
1 1 1   13   13   11 o   45.170   0.4878 -0.9364000 0.9756000 
1 1 1   13   13   12 o   37.440   0.5050 0.1885000 1.010000 
1 1 1   13   13   13 o   35.610   0.5675 0.9835000 1.135000 
1 1 1   13   13   14 o   36.370   0.5238 1.905000 1.048000 
1 1 1   13   13   15 o   23.180   0.7107 1.316000 1.421000 
1 1 1   13   13   16 f   24.640   0.7382 -0.1450000E-01 1.476000 
1 1 1   13   13   17 o   6.3580   1.7880 3.079000 3.575000 
1 1 1   13   13   18 o   31.860   0.7646 0.1531000 1.529000 
1 1 1   13   13   19 o   13.610   1.4440 -1.020000 2.888000 
1 1 1   13   13   20 o   28.880   0.7235 0.1749000 1.447000 
1 1 1   13   13   21 o   14.990   1.3950 3.678000 2.790000 
1 1 1   13   13   22 o   19.320   1.1120 3.585000 2.224000 
1 1 1   13   13   23 o   20.870   1.0420 1.179000 2.084000 
1 1 1   13   13   24 o   7.5690   2.0230 0.2356000 4.046000 
1 1 1   13   13   25 o   11.270   1.7710 -7.235000 3.542000 
1 1 1   13   13   26 o   10.050   1.9960 1.694000 3.991000 
1 1 1   13   13   27 o   5.7860   1.8080 1.131000 3.616000 
1 1 1   13   13   28 o   10.570   1.8800 2.077000 3.760000 
1 1 1   13   13   29 o   9.4750   1.9300 -1.829000 3.861000 
1 1 1   13   13   30 o   9.4440   2.0150 1.155000 4.029000 
1 1 1   13   14    0 o   25.490   0.9229 -0.000000 0.000000 
1 1 1   13   14    1 o   20.850   0.7681 -1.542000 1.536000 
1 1 1   13   14    2 o   14.450   1.0850 1.866000 2.170000 
1 1 1   13   14    3 o   37.740   0.5145 0.6144000 1.029000 
1 1 1   13   14    4 o   7.5150   1.8160 0.5170000 3.633000 
1 1 1   13   14    5 o   32.860   0.5463 2.548000 1.093000 
1 1 1   13   14    6 o   19.660   0.8177 1.050000 1.635000 
1 1 1   13   14    7 o   17.640   0.9471 4.518000 1.894000 
1 1 1   13   14    8 o   9.0510   1.6470 2.871000 3.294000 
1 1 1   13   14    9 f   31.670   0.5690 0.5174000 1.138000 
1 1 1   13   14   10 o   34.160   0.5539 -3.572000 1.108000 
1 1 1   13   14   11 o   21.630   0.7747 0.3541000 1.549000 
1 1 1   13   14   12 o   20.590   0.8109 -2.269000 1.622000 
1 1 1   13   14   13 o   26.730   0.6586 2.816000 1.317000 
1 1 1   13   14   14 o   14.580   1.3030 -0.7162000 2.607000 
1 1 1   13   14   15 o   8.6060   1.7820 3.801000 3.564000 
1 1 1   13   14   16 o   25.770   0.7925 1.705000 1.585000 
1 1 1   13   14   17 o   28.400   0.7406 -1.433000 1.481000 
1 1 1   13   14   18 o   19.610   0.9547 -0.7919000 1.909000 
1 1 1   13   14   19 o   17.250   1.2190 0.9191000E-01 2.439000 
1 1 1   13   14   20 o   17.880   1.1890 4.892000 2.379000 
1 1 1   13   14   21 o   11.470   1.9070 1.448000 3.815000 
1 1 1   13   14   22 o   26.230   0.8762 -0.3815000 1.752000 
1 1 1   13   14   23 o   16.860   1.3460 -0.7983000 2.692000 
1 1 1   13   14   24 o   13.830   1.6720 -1.321000 3.344000 
1 1 1   13   14   25 o   8.3080   1.7430 -6.769000 3.486000 
1 1 1   13   14   26 o   11.140   1.9270 -0.7957000 3.855000 
1 1 1   13   14   27 o   10.110   1.8970 -3.832000 3.793000 
1 1 1   13   14   28 o   10.940   1.7360 -6.175000 3.473000 
1 1 1   13   14   29 o   7.5290   1.8710 -2.722000 3.743000 
1 1 1   13   15    0 o   25.540   1.1590 -0.000000 0.000000 
1 1 1   13   15    1 o   24.130   0.7339 -3.631000 1.468000 
1 1 1   13   15    2 o   35.100   0.5593 0.5072000 1.119000 
1 1 1   13   15    3 o   26.170   0.6727 -2.281000 1.345000 
1 1 1   13   15    4 o   34.980   0.5614 -0.2081000 1.123000 
1 1 1   13   15    5 o   45.380   0.5745 -0.4601000 1.149000 
1 1 1   13   15    6 o   34.420   0.5818 3.805000 1.164000 
1 1 1   13   15    7 o   28.710   0.6647 3.894000 1.329000 
1 1 1   13   15    8 o   22.300   0.8011 -3.090000 1.602000 
1 1 1   13   15    9 o   17.750   1.2080 -4.955000 2.416000 
1 1 1   13   15   10 o   10.560   1.6560 3.420000 3.312000 
1 1 1   13   15   11 f   19.280   0.9219 -0.1495000 1.844000 
1 1 1   13   15   12 o   25.640   0.7256 0.5713000 1.451000 
1 1 1   13   15   13 o   10.830   1.7020 -1.038000 3.404000 
1 1 1   13   15   14 o   21.320   0.8753 0.8056000 1.751000 
1 1 1   13   15   15 o   40.410   0.5714 0.1501000 1.143000 
1 1 1   13   15   16 o   7.7580   1.9400 -0.6708000 3.880000 
1 1 1   13   15   17 o   21.330   0.9336 1.702000 1.867000 
1 1 1   13   15   18 o   16.640   1.2190 2.356000 2.437000 
1 1 1   13   15   19 o   9.5190   1.9240 3.018000 3.847000 
1 1 1   13   15   20 o   9.0050   2.1100 0.7529000 4.219000 
1 1 1   13   15   21 o   24.550   0.9611 -0.1274000 1.922000 
1 1 1   13   15   22 o   12.200   1.9020 -3.301000 3.804000 
1 1 1   13   15   23 o   6.7810   1.9900 -0.4054000 3.980000 
1 1 1   13   15   24 o   14.040   1.6500 3.981000 3.299000 
1 1 1   13   15   25 o   6.9030   1.9150 -2.726000 3.831000 
1 1 1   13   15   26 o   9.1950   2.1280 -2.066000 4.256000 
1 1 1   13   15   27 o   7.7300   2.0280 1.429000 4.057000 
1 1 1   13   15   28 o   6.1580   1.8240 -1.772000 3.649000 
1 1 1   13   16    0 o   36.550   0.8327 -0.000000 0.000000 
1 1 1   13   16    1 o   14.470   1.2720 -3.319000 2.544000 
1 1 1   13   16    2 o   31.410   0.6327 2.127000 1.265000 
1 1 1   13   16    3 o   23.700   0.7931 2.246000 1.586000 
1 1 1   13   16    4 o   11.530   1.7230 4.402000 3.447000 
1 1 1   13   16    5 o   26.410   0.7915 0.8003000 1.583000 
1 1 1   13   16    6 o   14.140   1.5020 -10.15000 3.004000 
1 1 1   13   16    7 o   13.150   1.4830 -3.609000 2.965000 
1 1 1   13   16    8 o   14.060   1.3460 0.4683000 2.692000 
1 1 1   13   16    9 o   6.8430   1.8400 2.129000 3.680000 
1 1 1   13   16   10 o   14.460   1.3960 4.226000 2.791000 
1 1 1   13   16   11 o   14.270   1.4260 4.019000 2.852000 
1 1 1   13   16   12 o   25.730   0.7803 1.367000 1.561000 
1 1 1   13   16   13 o   27.000   0.7585 1.263000 1.517000 
1 1 1   13   16   14 o   18.520   1.0740 3.485000 2.147000 
1 1 1   13   16   15 o   12.730   1.6060 0.6787000 3.211000 
1 1 1   13   16   16 o   16.740   1.3240 5.850000 2.647000 
1 1 1   13   16   17 o   12.500   1.7250 3.270000 3.450000 
1 1 1   13   16   18 o   8.8970   1.9690 3.482000 3.939000 
1 1 1   13   16   19 o   9.4880   2.0380 0.8072000 4.076000 
1 1 1   13   16   20 o   12.010   1.7870 6.846000 3.573000 
1 1 1   13   16   21 o   11.370   2.0190 -1.239000 4.038000 
1 1 1   13   16   22 o   17.810   1.3170 1.550000 2.634000 
1 1 1   13   16   23 o   14.920   1.5750 2.985000 3.149000 
1 1 1   13   16   24 o   8.8070   2.0970 2.643000 4.195000 
1 1 1   13   16   25 o   6.3080   1.9250 1.066000 3.850000 
1 1 1   13   16   26 o   9.1640   2.0740 1.356000 4.147000 
1 1 1   13   16   27 o   6.4950   1.9030 2.291000 3.806000 
1 1 1   13   17    0 o   23.540   1.1760 -0.000000 0.000000 
1 1 1   13   17    1 o   6.2730   1.8130 1.888000 3.627000 
1 1 1   13   17    2 o   49.340   0.5571 2.496000 1.114000 
1 1 1   13   17    3 o   40.960   0.5780 1.779000 1.156000 
1 1 1   13   17    4 f   29.790   0.7077 0.8511000 1.415000 
1 1 1   13   17    5 o   10.020   1.8890 -1.563000 3.778000 
1 1 1   13   17    6 o   27.350   0.7559 -0.4946000 1.512000 
1 1 1   13   17    7 o   15.130   1.3780 -2.805000 2.756000 
1 1 1   13   17    8 f   8.8960   1.9890 -1.384000 3.978000 
1 1 1   13   17    9 o   20.860   0.9970 -0.1466000 1.994000 
1 1 1   13   17   10 o   9.0330   1.9870 -2.050000 3.974000 
1 1 1   13   17   11 o   28.400   0.7769 5.967000 1.554000 
1 1 1   13   17   12 o   17.700   1.1910 1.569000 2.382000 
1 1 1   13   17   13 o   8.7240   2.0360 0.1182000 4.072000 
1 1 1   13   17   14 o   19.050   1.1110 1.617000 2.223000 
1 1 1   13   17   15 o   17.730   1.2120 -0.2761000 2.424000 
1 1 1   13   17   16 o   18.540   1.1840 0.4432000 2.368000 
1 1 1   13   17   17 f   17.580   1.2490 0.3457000 2.498000 
1 1 1   13   17   18 o   13.470   1.6950 3.397000 3.389000 
1 1 1   13   17   19 o   9.3210   2.0640 -2.272000 4.129000 
1 1 1   13   17   20 o   12.380   1.8170 2.093000 3.635000 
1 1 1   13   17   21 o   24.770   0.9063 -0.4196000 1.813000 
1 1 1   13   17   22 o   8.1120   2.0850 2.916000 4.169000 
1 1 1   13   17   23 o   7.0140   2.0040 -1.390000 4.008000 
1 1 1   13   17   24 o   8.2210   2.0890 -0.5880000 4.178000 
1 1 1   13   17   25 o   5.2320   1.7210 0.7003000 3.442000 
1 1 1   13   17   26 o   7.5510   1.9380 5.101000 3.877000 
1 1 1   13   18    0 o   23.890   1.2620 -0.000000 0.000000 
1 1 1   13   18    1 o   26.600   0.8234 -2.832000 1.647000 
1 1 1   13   18    2 o   15.760   1.3420 1.877000 2.684000 
1 1 1   13   18    3 o   16.070   1.3230 0.3260000E-02 2.646000 
1 1 1   13   18    4 o   14.690   1.4700 2.231000 2.940000 
1 1 1   13   18    5 o   30.040   0.7548 -0.1979000 1.510000 
1 1 1   13   18    6 o   18.930   1.1460 1.249000 2.292000 
1 1 1   13   18    7 o   25.710   0.8480 -0.7105000 1.696000 
1 1 1   13   18    8 o   17.180   1.2830 1.765000 2.566000 
1 1 1   13   18    9 o   19.510   1.1620 3.429000 2.325000 
1 1 1   13   18   10 o   25.720   0.9077 3.735000 1.815000 
1 1 1   13   18   11 f   7.0980   2.0040 -1.210000 4.007000 
1 1 1   13   18   12 o   8.5820   2.0410 2.085000 4.081000 
1 1 1   13   18   13 o   13.990   1.6540 -1.749000 3.308000 
1 1 1   13   18   14 o   21.530   1.0680 -2.552000 2.135000 
1 1 1   13   18   15 o   6.8600   1.9800 -1.032000 3.960000 
1 1 1   13   18   16 f   13.010   1.7710 -2.389000 3.542000 
1 1 1   13   18   17 o   12.180   1.9000 0.3202000E-01 3.801000 
1 1 1   13   18   18 o   13.260   1.7740 -2.678000 3.549000 
1 1 1   13   18   19 f   14.340   1.5800 -0.5456000 3.159000 
1 1 1   13   18   20 o   9.7700   2.0750 -0.1078000 4.149000 
1 1 1   13   18   21 o   10.030   2.0220 0.9727000 4.044000 
1 1 1   13   18   22 o   9.3000   2.0410 1.913000 4.082000 
1 1 1   13   18   23 o   7.1260   2.0170 2.957000 4.034000 
1 1 1   13   18   24 o   9.3770   2.0600 3.233000 4.121000 
1 1 1   13   19    0 o   6.6910   2.7780 -0.000000 0.000000 
1 1 1   13   19    1 o   13.570   1.6980 -3.478000 3.396000 
1 1 1   13   19    2 o   17.410   1.4290 -4.089000 2.857000 
1 1 1   13   19    3 o   25.620   0.9065 -1.993000 1.813000 
1 1 1   13   19    4 o   35.970   0.6972 -0.8426000 1.394000 
1 1 1   13   19    5 o   9.2250   1.9010 5.887000 3.802000 
1 1 1   13   19    6 o   10.360   2.0470 3.130000 4.093000 
1 1 1   13   19    7 o   10.020   2.1100 0.2881000 4.219000 
1 1 1   13   19    8 o   9.5730   2.1090 -1.491000 4.217000 
1 1 1   13   19    9 o   12.220   1.9430 0.6735000 3.885000 
1 1 1   13   19   10 o   14.630   1.7510 8.688000 3.501000 
1 1 1   13   19   11 o   9.5630   2.0630 3.882000 4.126000 
1 1 1   13   19   12 o   15.130   1.5910 -2.520000 3.183000 
1 1 1   13   19   13 o   9.0280   1.9480 5.558000 3.895000 
1 1 1   13   19   14 f   8.2290   2.0930 2.189000 4.186000 
1 1 1   13   19   15 o   16.060   1.4910 2.917000 2.982000 
1 1 1   13   19   16 o   10.090   2.0290 -3.673000 4.058000 
1 1 1   13   19   17 o   8.4830   1.9490 4.655000 3.898000 
1 1 1   13   19   18 o   7.7600   2.0570 -1.484000 4.115000 
1 1 1   13   19   19 o   11.500   1.8850 -3.875000 3.770000 
1 1 1   13   19   20 o   6.5040   1.9320 1.058000 3.865000 
1 1 1   13   19   21 o   5.2710   1.7120 1.741000 3.423000 
1 1 1   13   19   22 o   15.910   1.3500 0.8873000 2.700000 
1 1 1   13   19   23 f   6.1070   1.9430 -0.7829000 3.886000 
1 1 1   13   20    0 o   16.400   2.0720 -0.000000 0.000000 
1 1 1   13   20    1 o   19.120   1.3490 -6.421000 2.698000 
1 1 1   13   20    2 o   15.720   1.5730 1.770000 3.145000 
1 1 1   13   20    3 o   10.510   1.9050 -7.206000 3.809000 
1 1 1   13   20    4 o   6.9970   1.9430 -4.163000 3.886000 
1 1 1   13   20    5 o   14.560   1.7160 1.710000 3.431000 
1 1 1   13   20    6 o   10.650   2.0090 5.752000 4.018000 
1 1 1   13   20    7 o   9.2860   2.1100 3.700000 4.220000 
1 1 1   13   20    8 o   8.1210   2.1360 -1.817000 4.272000 
1 1 1   13   20    9 o   15.640   1.5870 2.916000 3.175000 
1 1 1   13   20   10 o   14.830   1.6790 0.2728000 3.358000 
1 1 1   13   20   11 o   10.220   2.1620 -0.7294000 4.323000 
1 1 1   13   20   12 o   8.0110   2.0490 3.437000 4.097000 
1 1 1   13   20   13 o   7.4500   1.9630 4.067000 3.926000 
1 1 1   13   20   14 o   6.6510   1.9090 -3.198000 3.817000 
1 1 1   13   20   15 o   10.160   2.0550 2.908000 4.109000 
1 1 1   13   20   16 f   9.0790   2.0370 -3.655000 4.073000 
1 1 1   13   20   17 o   9.0680   2.0730 -1.556000 4.147000 
1 1 1   13   20   18 o   6.9650   1.9820 1.718000 3.965000 
1 1 1   13   20   19 o   8.3260   2.0970 0.1430000 4.195000 
1 1 1   13   20   20 o   8.4040   2.0730 0.6183000 4.146000 
1 1 1   13   20   21 o   6.4780   1.9270 -1.107000 3.853000 
1 1 1   13   21    0 o   7.0040   2.9210 -0.000000 0.000000 
1 1 1   13   21    1 o   10.920   2.1740 0.9950000 4.347000 
1 1 1   13   21    2 o   15.660   1.8190 2.115000 3.638000 
1 1 1   13   21    3 o   14.030   1.8260 2.723000 3.652000 
1 1 1   13   21    4 o   12.020   2.0650 0.4254000 4.129000 
1 1 1   13   21    5 o   9.0580   2.0560 -5.055000 4.113000 
1 1 1   13   21    6 o   8.9400   2.1140 -4.219000 4.228000 
1 1 1   13   21    7 o   8.8660   2.2110 -1.203000 4.421000 
1 1 1   13   21    8 o   11.400   2.0790 3.066000 4.158000 
1 1 1   13   21    9 o   12.930   2.0650 5.171000 4.130000 
1 1 1   13   21   10 o   12.890   1.9440 0.5432000 3.887000 
1 1 1   13   21   11 o   7.1190   2.0230 2.472000 4.046000 
1 1 1   13   21   12 f   6.0090   1.8750 2.029000 3.751000 
1 1 1   13   21   13 o   9.7320   2.1130 2.023000 4.225000 
1 1 1   13   21   14 o   12.090   1.8800 -3.015000 3.760000 
1 1 1   13   21   15 o   7.2050   1.9140 4.172000 3.828000 
1 1 1   13   21   16 o   6.9000   1.9640 2.474000 3.928000 
1 1 1   13   21   17 o   8.9070   2.1000 1.308000 4.201000 
1 1 1   13   21   18 o   8.0480   2.0330 1.948000 4.066000 
1 1 1   13   21   19 o   6.8280   1.9510 2.713000 3.901000 
1 1 1   13   22    0 o   9.8280   3.1580 -0.000000 0.000000 
1 1 1   13   22    1 f   12.390   1.9930 6.165000 3.987000 
1 1 1   13   22    2 o   10.390   2.2130 1.138000 4.426000 
1 1 1   13   22    3 o   7.7790   2.1430 2.351000 4.287000 
1 1 1   13   22    4 o   8.5810   2.0790 4.787000 4.157000 
1 1 1   13   22    5 o   8.2530   2.1490 -2.204000 4.298000 
1 1 1   13   22    6 o   7.5240   2.0660 3.087000 4.133000 
1 1 1   13   22    7 o   7.3820   2.1140 -0.3251000 4.227000 
1 1 1   13   22    8 o   6.9490   2.0440 -1.357000 4.088000 
1 1 1   13   22    9 o   6.2290   1.9410 -1.222000 3.881000 
1 1 1   13   22   10 o   6.5340   1.9850 -0.2127000 3.971000 
1 1 1   13   22   11 o   9.6790   1.9210 5.942000 3.842000 
1 1 1   13   22   12 f   12.290   1.8800 -4.373000 3.760000 
1 1 1   13   22   13 o   8.0940   2.0960 1.006000 4.193000 
1 1 1   13   22   14 o   6.0820   1.8670 1.670000 3.735000 
1 1 1   13   22   15 o   6.3090   1.8940 1.068000 3.787000 
1 1 1   13   22   16 o   7.5800   1.9140 -3.723000 3.827000 
1 1 1   13   23    0 o   6.6340   2.8820 -0.000000 0.000000 
1 1 1   13   23    1 o   7.2900   2.1220 -0.5376000 4.243000 
1 1 1   13   23    2 o   8.5720   2.1600 -3.167000 4.320000 
1 1 1   13   23    3 f   7.2550   2.0110 4.093000 4.023000 
1 1 1   13   23    4 o   5.8680   1.8910 0.8551000 3.782000 
1 1 1   13   23    5 o   9.4880   1.9420 6.907000 3.884000 
1 1 1   13   23    6 f   9.4930   2.1800 1.580000 4.359000 
1 1 1   13   23    7 o   7.9940   2.1580 -0.6305000 4.316000 
1 1 1   13   23    8 o   6.7050   2.0150 -0.2766000 4.031000 
1 1 1   13   23    9 o   9.3770   2.1630 -0.5633000 4.326000 
1 1 1   13   23   10 o   7.5760   2.0170 -3.009000 4.034000 
1 1 1   13   23   11 o   7.2790   1.8730 -4.998000 3.746000 
1 1 1   13   23   12 o   5.8440   1.8140 -1.380000 3.628000 
1 1 1   13   23   13 f   5.9520   1.8270 0.8108000 3.654000 
1 1 1   13   24    0 o   7.7620   3.0500 -0.000000 0.000000 
1 1 1   13   24    1 o   6.7390   1.9710 -3.160000 3.943000 
1 1 1   13   24    2 o   7.6200   2.1370 0.4036000 4.275000 
1 1 1   13   24    3 o   12.380   1.9910 -3.446000 3.981000 
1 1 1   13   24    4 o   7.9750   2.1160 -2.315000 4.232000 
1 1 1   13   24    5 f   6.2930   1.9550 -0.2586000 3.911000 
1 1 1   13   24    6 o   6.7650   1.9620 2.814000 3.924000 
1 1 1   13   24    7 o   7.1670   2.0120 1.884000 4.024000 
1 1 1   13   24    8 f   8.4680   2.0730 1.718000 4.145000 
1 1 1   13   24    9 o   6.6810   3.0510      ?      ? 
1 1 1   14    0    0 o   27.420   0.4643 -0.000000 0.000000 
1 1 1   14    0    1 o   73.300   0.7685 -0.000000 0.000000 
1 1 1   14    0    2 o   31.980   0.3653 -0.000000 0.000000 
1 1 1   14    0    3 o   73.850   0.7748 -0.000000 0.000000 
1 1 1   14    0    4 o  266.200   3.2010 -0.000000 0.000000 
1 1 1   14    0    5 o   21.750   0.3491 -0.000000 0.000000 
1 1 1   14    0    6 o  109.300   1.3180 -0.000000 0.000000 
1 1 1   14    0    7 o   7.4010   0.8299 -0.000000 0.000000 
1 1 1   14    0    8 o   29.090   0.3969 -0.000000 0.000000 
1 1 1   14    0    9 o   39.890   0.5045 -0.000000 0.000000 
1 1 1   14    0   10 o   33.610   0.5521 -0.000000 0.000000 
1 1 1   14    0   11 o   10.020   0.5983 -0.000000 0.000000 
1 1 1   14    0   12 o   3.0530   1.2380 -0.000000 0.000000 
1 1 1   14    0   13 o   39.130   0.9263 -0.000000 0.000000 
1 1 1   14    0   14 o   20.230   0.8438 -0.000000 0.000000 
1 1 1   14    0   15 o   76.080   1.6100 -0.000000 0.000000 
1 1 1   14    0   16 o   14.250   1.1180 -0.000000 0.000000 
1 1 1   14    0   17 o   45.770   1.0410 -0.000000 0.000000 
1 1 1   14    0   18 o   6.7470   2.2190 -0.000000 0.000000 
1 1 1   14    0   19 o   7.2310   2.3440 -0.000000 0.000000 
1 1 1   14    0   20 o   8.3730   2.3600 -0.000000 0.000000 
1 1 1   14    0   21 o   84.040   1.7860 -0.000000 0.000000 
1 1 1   14    0   22 o   8.1550   2.5240 -0.000000 0.000000 
1 1 1   14    0   23 o   19.250   1.3660 -0.000000 0.000000 
1 1 1   14    0   24 o   54.150   1.2570 -0.000000 0.000000 
1 1 1   14    0   25 o   6.1430   2.5970 -0.000000 0.000000 
1 1 1   14    0   26 o   36.310   1.1440 -0.000000 0.000000 
1 1 1   14    0   27 o   8.1370   2.9610 -0.000000 0.000000 
1 1 1   14    0   28 o   28.150   1.3830 -0.000000 0.000000 
1 1 1   14    0   29 o   22.190   1.6820 -0.000000 0.000000 
1 1 1   14    0   30 o   24.900   1.5780 -0.000000 0.000000 
1 1 1   14    0   31 o   11.670   3.2060 -0.000000 0.000000 
1 1 1   14    0   32 o   6.2670   2.8370 -0.000000 0.000000 
1 1 1   14    0   33 o   15.610   2.6390 -0.000000 0.000000 
1 1 1   14    0   34 o   12.380   3.0460 -0.000000 0.000000 
1 1 1   14    0   35 o   7.4790   3.0240 -0.000000 0.000000 
1 1 1   14    1    0 o   64.180   0.9561 -0.000000 0.000000 
1 1 1   14    1    1 o  119.900   1.2500 6.041000 2.500000 
1 1 1   14    1    2 f  149.900   1.5620 -3.669000 3.124000 
1 1 1   14    1    3 o   16.030   0.3273 -5.837000 0.6547000 
1 1 1   14    1    4 o   29.960   0.3541 2.446000 0.7082000 
1 1 1   14    1    5 o   68.230   0.7192 8.680000 1.438000 
1 1 1   14    1    6 o   49.620   0.5325 -5.186000 1.065000 
1 1 1   14    1    7 o   66.230   0.6987 3.064000 1.397000 
1 1 1   14    1    8 o   99.220   1.0390 4.398000 2.079000 
1 1 1   14    1    9 o   90.130   0.9453 4.244000 1.891000 
1 1 1   14    1   10 o  101.400   1.0630 7.660000 2.126000 
1 1 1   14    1   11 o  159.200   1.6660 7.240000 3.332000 
1 1 1   14    1   12 o   48.710   0.4891 -4.319000 0.9782000 
1 1 1   14    1   13 o   53.040   0.4944 8.056000 0.9889000 
1 1 1   14    1   14 o   36.860   0.4288 2.457000 0.8576000 
1 1 1   14    1   15 o   35.260   0.5893      ?      ? 
1 1 1   14    1   17 o   24.030   0.5266      ?      ? 
1 1 1   14    1   18 o   44.240   0.7107      ?      ? 
1 1 1   14    1   19 o   26.160   0.5615      ?      ? 
1 1 1   14    1   20 o   27.670   0.9783      ?      ? 
1 1 1   14    1   21 o   18.840   0.6857 -1.093000 1.371000 
1 1 1   14    1   22 o   13.080   1.8230      ?      ? 
1 1 1   14    1   23 o   21.920   0.6341 -3.637000 1.268000 
1 1 1   14    1   24 o   35.690   0.6326 2.481000 1.265000 
1 1 1   14    1   25 o   24.350   0.6520 -3.606000 1.304000 
1 1 1   14    1   26 o   22.610   0.8158 2.574000 1.632000 
1 1 1   14    1   27 o   22.350   0.7742 -1.088000 1.548000 
1 1 1   14    1   28 o   27.830   0.7812 -0.2254000E-01 1.562000 
1 1 1   14    1   29 o   25.770   0.7861 -3.598000 1.572000 
1 1 1   14    1   30 o   17.650   1.2590 3.411000 2.517000 
1 1 1   14    1   31 o   21.170   0.9629 -0.5182000 1.926000 
1 1 1   14    1   32 o   12.360   1.5900 -1.316000 3.180000 
1 1 1   14    1   33 o   11.490   1.6940 0.5525000E-01 3.387000 
1 1 1   14    1   34 o   14.110   1.5510 3.332000 3.101000 
1 1 1   14    1   35 o   10.090   1.6600 0.7887000 3.321000 
1 1 1   14    2    0 o   78.930   1.1720 -0.000000 0.000000 
1 1 1   14    2    1 o   12.580   0.4551 7.017000 0.9103000 
1 1 1   14    2    2 o  167.200   1.7420 -6.710000 3.485000 
1 1 1   14    2    3 o   37.020   0.4216 8.260000 0.8431000 
1 1 1   14    2    4 o   40.270   0.6329      ?      ? 
1 1 1   14    2    5 o  182.800   1.9040 -3.713000 3.809000 
1 1 1   14    2    6 o   88.200   0.9250 6.207000 1.850000 
1 1 1   14    2    7 o   18.570   0.3715 1.765000 0.7430000 
1 1 1   14    2    8 o   95.190   0.9976 -3.485000 1.995000 
1 1 1   14    2    9 f   59.550   0.5806 0.8506000E-01 1.161000 
1 1 1   14    2   10 o   18.930   0.4083 2.475000 0.8165000 
1 1 1   14    2   11 o   35.740   0.3937 -4.683000 0.7874000 
1 1 1   14    2   12 o   99.010   0.9493 -0.3775000 1.899000 
1 1 1   14    2   13 o   61.900   0.6021 2.033000 1.204000 
1 1 1   14    2   14 o   5.6400   0.8965 3.681000 1.793000 
1 1 1   14    2   15 o   24.710   0.3487 0.2261000 0.6974000 
1 1 1   14    2   16 o   15.170   0.4181 -0.4266000 0.8361000 
1 1 1   14    2   17 o   18.220   0.3818 0.8804000E-02 0.7636000 
1 1 1   14    2   18 o   18.920   0.5575 0.2773000E-02 1.115000 
1 1 1   14    2   19 o   44.250   0.4681 -0.4835000 0.9361000 
1 1 1   14    2   20 o   30.100   0.3805 2.040000 0.7609000 
1 1 1   14    2   21 o   28.780   0.4375 -0.9605000 0.8750000 
1 1 1   14    2   22 o   35.870   1.0500      ?      ? 
1 1 1   14    2   23 o   37.860   0.7108      ?      ? 
1 1 1   14    2   24 o   48.350   0.8079      ?      ? 
1 1 1   14    2   25 f   24.890   0.7546      ?      ? 
1 1 1   14    2   28 o   29.570   0.7804 -0.8842000 1.561000 
1 1 1   14    2   29 o   23.180   0.9261 -0.6400000E-01 1.852000 
1 1 1   14    2   30 o   19.750   1.0200 0.3979000 2.040000 
1 1 1   14    2   31 o   19.460   1.0510 -0.7441000 2.101000 
1 1 1   14    2   32 o   14.810   1.3350 -4.790000 2.669000 
1 1 1   14    2   33 o   6.3860   1.6900 0.5914000 3.380000 
1 1 1   14    2   34 o   9.5470   1.7690 -3.498000 3.538000 
1 1 1   14    2   35 o   6.4810   1.7870 -2.737000 3.573000 
1 1 1   14    3    0 o   71.970   1.0740 -0.000000 0.000000 
1 1 1   14    3    1 o   54.630   0.5882 2.973000 1.176000 
1 1 1   14    3    2 o   42.570   0.4779 -6.897000 0.9559000 
1 1 1   14    3    3 o   22.840   0.3785 -3.801000 0.7571000 
1 1 1   14    3    4 o  156.300   1.6300 -3.885000 3.259000 
1 1 1   14    3    5 o   77.150   0.8139 0.2313000 1.628000 
1 1 1   14    3    6 o  129.500   1.2390 -5.694000 2.479000 
1 1 1   14    3    7 o   52.200   0.5179 1.827000 1.036000 
1 1 1   14    3    8 o   89.600   0.8554 4.941000 1.711000 
1 1 1   14    3    9 o   58.210   0.5786 -6.287000 1.157000 
1 1 1   14    3   10 o   40.320   0.4265 6.366000 0.8529000 
1 1 1   14    3   11 o   59.690   0.5245 -3.349000 1.049000 
1 1 1   14    3   12 o   90.850   0.7807 1.313000 1.561000 
1 1 1   14    3   13 o   39.030   0.3740 1.610000 0.7481000 
1 1 1   14    3   14 o   37.100   0.3622 2.501000 0.7245000 
1 1 1   14    3   15 o   18.870   0.3608 -3.044000 0.7216000 
1 1 1   14    3   16 o   18.340   0.3618 3.101000 0.7236000 
1 1 1   14    3   17 o   16.810   0.3850 -1.479000 0.7701000 
1 1 1   14    3   18 o   54.810   0.4898 4.952000 0.9796000 
1 1 1   14    3   19 o   18.550   0.4138 -0.5349000 0.8275000 
1 1 1   14    3   20 o   80.030   0.7782 0.1687000E-01 1.556000 
1 1 1   14    3   21 o   23.210   0.4199 2.454000 0.8397000 
1 1 1   14    3   22 o   28.470   0.4149 0.2063000 0.8298000 
1 1 1   14    3   23 o   35.960   0.4793 -3.357000 0.9587000 
1 1 1   14    3   24 o   31.900   0.4744 -0.4350000 0.9488000 
1 1 1   14    3   25 o   5.0670   1.9410      ?      ? 
1 1 1   14    3   26 o   20.010   0.5340 -1.212000 1.068000 
1 1 1   14    3   27 o   14.360   0.8769 2.369000 1.754000 
1 1 1   14    3   28 f   34.350   0.9064      ?      ? 
1 1 1   14    3   29 o   32.140   0.6241 -1.553000 1.248000 
1 1 1   14    3   30 o   17.380   0.8666 -0.5980000 1.733000 
1 1 1   14    3   31 o   21.510   0.7490 -0.9756000E-01 1.498000 
1 1 1   14    3   32 o   21.720   0.7253 -0.1049000E-01 1.451000 
1 1 1   14    3   33 o   15.110   0.9265 3.463000 1.853000 
1 1 1   14    3   34 o   11.140   1.2450 -0.6225000 2.490000 
1 1 1   14    3   35 f   10.250   1.0020 0.5065000 2.004000 
1 1 1   14    4    0 o  147.600   2.1800 -0.000000 0.000000 
1 1 1   14    4    1 o   59.730   0.6456 -9.346000 1.291000 
1 1 1   14    4    2 o   42.560   0.4901 -1.981000 0.9801000 
1 1 1   14    4    3 o   32.030   0.3886 -1.296000 0.7772000 
1 1 1   14    4    4 o  114.700   1.0970 -1.531000 2.193000 
1 1 1   14    4    5 f   30.420   0.3858 3.993000 0.7716000 
1 1 1   14    4    6 o   55.810   0.4953 2.082000 0.9905000 
1 1 1   14    4    7 o   60.230   0.5309 6.244000 1.062000 
1 1 1   14    4    8 o   19.240   0.3834 1.845000 0.7668000 
1 1 1   14    4    9 o   58.780   0.5197 2.770000 1.039000 
1 1 1   14    4   10 o   48.680   0.4459 -1.826000 0.8918000 
1 1 1   14    4   11 o   51.240   0.4645 3.001000 0.9289000 
1 1 1   14    4   12 o   15.270   0.5353 1.766000 1.071000 
1 1 1   14    4   13 o   66.350   0.5802 -0.4134000 1.160000 
1 1 1   14    4   14 o   11.770   0.5938 -2.296000 1.188000 
1 1 1   14    4   15 o   23.100   0.3721 -2.587000 0.7442000 
1 1 1   14    4   16 o   66.360   0.5820 -3.312000 1.164000 
1 1 1   14    4   17 o   47.220   0.4405 1.721000 0.8809000 
1 1 1   14    4   18 o   25.220   0.3762 2.424000 0.7523000 
1 1 1   14    4   19 o   76.600   0.6672 1.337000 1.334000 
1 1 1   14    4   20 o   12.230   0.8100 -6.109000 1.620000 
1 1 1   14    4   21 o   23.680   0.4626 3.402000 0.9252000 
1 1 1   14    4   22 o   36.180   0.4897 -5.270000 0.9794000 
1 1 1   14    4   23 o   48.170   0.5163 3.209000 1.033000 
1 1 1   14    4   24 f   8.9650   1.2090 -3.444000 2.419000 
1 1 1   14    4   25 o   25.400   0.7446      ?      ? 
1 1 1   14    4   26 o   15.550   0.7430 0.8332000 1.486000 
1 1 1   14    4   27 o   12.130   1.5300      ?      ? 
1 1 1   14    4   28 o   22.880   0.6578 -1.172000 1.316000 
1 1 1   14    4   29 o   15.230   0.8725 -1.803000 1.745000 
1 1 1   14    4   30 o   19.390   0.7187 1.637000 1.437000 
1 1 1   14    4   31 o   9.4490   1.6560 1.034000 3.311000 
1 1 1   14    4   32 o   20.120   0.8081 -0.1745000 1.616000 
1 1 1   14    4   33 o   11.240   1.4900 0.8332000 2.980000 
1 1 1   14    4   34 o   7.8610   1.5880 -4.782000 3.176000 
1 1 1   14    4   35 o   6.3840   1.6450 -1.498000 3.290000 
1 1 1   14    5    0 o   4.8450   1.6660 -0.000000 0.000000 
1 1 1   14    5    1 o   82.780   0.7161 -8.697000 1.432000 
1 1 1   14    5    2 f  207.100   1.7620 6.944000 3.523000 
1 1 1   14    5    3 o  108.500   0.9293 2.364000 1.859000 
1 1 1   14    5    4 o   33.650   0.3686 2.315000 0.7372000 
1 1 1   14    5    5 o  118.800   1.0160 -2.394000 2.032000 
1 1 1   14    5    6 o   22.900   0.4336 -3.659000 0.8672000 
1 1 1   14    5    7 o   92.940   0.7997 -0.1638000 1.599000 
1 1 1   14    5    8 o   75.500   0.6570 -5.826000 1.314000 
1 1 1   14    5    9 o  101.700   0.8733 -2.573000 1.747000 
1 1 1   14    5   10 o   62.720   0.5574 -5.429000 1.115000 
1 1 1   14    5   11 o   71.460   0.6249 -1.747000 1.250000 
1 1 1   14    5   12 f   59.980   0.5352 -3.310000 1.070000 
1 1 1   14    5   13 f   38.620   0.3983 0.3111000 0.7966000 
1 1 1   14    5   14 o   6.3700   1.1320 -2.995000 2.265000 
1 1 1   14    5   15 o   50.450   0.4684 -3.383000 0.9369000 
1 1 1   14    5   16 o   24.870   0.4010 4.799000 0.8019000 
1 1 1   14    5   17 o   41.430   0.4165 -0.6556000 0.8330000 
1 1 1   14    5   18 o   45.530   0.4428 -1.805000 0.8857000 
1 1 1   14    5   19 o   41.880   0.4312 0.3537000 0.8624000 
1 1 1   14    5   20 o   55.950   0.5161 -0.4638000 1.032000 
1 1 1   14    5   21 o   66.340   0.5934 1.700000 1.187000 
1 1 1   14    5   22 o   29.100   0.4732 1.442000 0.9464000 
1 1 1   14    5   23 o   21.860   0.5139 1.956000 1.028000 
1 1 1   14    5   24 o   58.950   0.6100 -0.7367000E-01 1.220000 
1 1 1   14    5   25 o   40.910   0.5118 2.921000 1.024000 
1 1 1   14    5   26 o   18.340   0.7110 -1.454000 1.422000 
1 1 1   14    5   27 o   15.430   0.8779 -3.283000 1.756000 
1 1 1   14    5   28 o   21.740   0.7534 3.214000 1.507000 
1 1 1   14    5   29 o   14.950   0.9765 0.5630000E-01 1.953000 
1 1 1   14    5   30 o   15.070   0.9829 -0.5926000 1.966000 
1 1 1   14    5   31 o   21.430   0.8438 1.133000 1.688000 
1 1 1   14    5   32 o   13.810   1.0620 -2.341000 2.124000 
1 1 1   14    5   33 o   14.500   0.9766 0.7645000 1.953000 
1 1 1   14    5   34 o   5.9640   1.5790 1.811000 3.158000 
1 1 1   14    5   35 o   9.1660   1.8260 2.597000 3.653000 
1 1 1   14    6    0 o  120.200   1.2600 -0.000000 0.000000 
1 1 1   14    6    1 o   53.100   0.4229 1.381000 0.8457000 
1 1 1   14    6    2 o   45.050   0.4107 -4.340000 0.8215000 
1 1 1   14    6    3 f   8.2100   0.9897 4.744000 1.979000 
1 1 1   14    6    4 o   73.270   0.6018 1.851000 1.204000 
1 1 1   14    6    5 o   71.160   0.5885 5.259000 1.177000 
1 1 1   14    6    6 o  173.300   1.3800 -1.194000 2.760000 
1 1 1   14    6    7 o   57.460   0.5239 10.15000 1.048000 
1 1 1   14    6    8 o   50.200   0.4740 -4.452000 0.9481000 
1 1 1   14    6    9 o   54.540   0.5016 -1.321000 1.003000 
1 1 1   14    6   10 o   88.830   0.7682 -2.464000 1.536000 
1 1 1   14    6   11 o   64.710   0.5748 1.608000 1.150000 
1 1 1   14    6   12 o   23.790   0.4380 -0.2512000E-01 0.8760000 
1 1 1   14    6   13 o   20.930   0.4744 2.656000 0.9487000 
1 1 1   14    6   14 o   26.350   0.4239 0.3802000 0.8479000 
1 1 1   14    6   15 o   20.890   0.5364 0.4685000 1.073000 
1 1 1   14    6   16 o   21.800   0.4736 2.150000 0.9472000 
1 1 1   14    6   17 o   32.270   0.4178 1.667000 0.8355000 
1 1 1   14    6   18 o   13.920   0.7547 5.513000 1.509000 
1 1 1   14    6   19 o   17.220   1.0730      ?      ? 
1 1 1   14    6   20 f   30.860   0.4410 -0.5695000 0.8820000 
1 1 1   14    6   21 o   80.170   0.7043 1.673000 1.409000 
1 1 1   14    6   22 o   35.320   0.5264 -1.943000 1.053000 
1 1 1   14    6   23 o   32.960   0.4707 2.506000 0.9413000 
1 1 1   14    6   24 o   25.780   0.5847 4.130000 1.169000 
1 1 1   14    6   25 o   14.540   0.9677 1.993000 1.935000 
1 1 1   14    6   26 o   14.700   1.5070      ?      ? 
1 1 1   14    6   27 o   29.720   0.5967 -0.1532000 1.193000 
1 1 1   14    6   28 o   12.850   1.2740 1.095000 2.547000 
1 1 1   14    6   29 o   14.900   1.0670 -2.176000 2.135000 
1 1 1   14    6   30 o   21.680   0.7604 -2.402000 1.521000 
1 1 1   14    6   31 o   15.430   1.0070 -1.427000 2.014000 
1 1 1   14    6   32 o   9.5110   1.6350 0.1787000 3.270000 
1 1 1   14    6   33 o   19.310   0.8188 2.054000 1.638000 
1 1 1   14    6   34 o   18.170   0.8290 -1.306000 1.658000 
1 1 1   14    7    0 o   52.520   0.6046 -0.000000 0.000000 
1 1 1   14    7    1 o   42.650   0.3786 1.583000 0.7571000 
1 1 1   14    7    2 o   61.040   0.4783 -6.698000 0.9565000 
1 1 1   14    7    3 o   44.820   0.3870 0.6163000E-01 0.7740000 
1 1 1   14    7    4 o   48.920   0.4082 -4.272000 0.8164000 
1 1 1   14    7    5 o   28.710   0.3963 0.7363000E-01 0.7927000 
1 1 1   14    7    6 o   37.100   0.3947 -4.222000 0.7894000 
1 1 1   14    7    7 o   35.730   0.3958 -0.1664000 0.7915000 
1 1 1   14    7    8 o   22.990   0.4563 -3.491000 0.9126000 
1 1 1   14    7    9 o   40.460   0.4595 5.008000 0.9190000 
1 1 1   14    7   10 o   48.040   0.4378 -0.7526000 0.8756000 
1 1 1   14    7   11 o   43.760   0.4194 -1.523000 0.8388000 
1 1 1   14    7   12 o   37.370   0.4055 1.532000 0.8111000 
1 1 1   14    7   13 o   30.950   0.4491 -0.8405000 0.8983000 
1 1 1   14    7   14 o   30.320   0.4462 -0.6936000 0.8924000 
1 1 1   14    7   15 o   30.310   0.4784 -2.723000 0.9568000 
1 1 1   14    7   16 o   28.510   0.5051 0.1479000 1.010000 
1 1 1   14    7   17 o   16.750   0.7640 -0.3896000 1.528000 
1 1 1   14    7   18 o   48.450   0.4884 2.068000 0.9767000 
1 1 1   14    7   19 o   31.900   0.4630 -0.7580000 0.9260000 
1 1 1   14    7   20 o   54.800   0.5275 -0.9147000 1.055000 
1 1 1   14    7   21 o   23.790   0.5470 1.556000 1.094000 
1 1 1   14    7   22 o   8.1400   1.4580 0.1302000 2.917000 
1 1 1   14    7   23 o   25.000   0.6224 -0.2192000 1.245000 
1 1 1   14    7   24 o   27.120   0.5524 -3.141000 1.105000 
1 1 1   14    7   25 o   10.710   1.6450 1.152000 3.290000 
1 1 1   14    7   26 o   36.840   0.5204 -2.479000 1.041000 
1 1 1   14    7   27 o   25.440   0.7081 -0.1152000 1.416000 
1 1 1   14    7   28 o   13.450   1.2660 -5.353000 2.532000 
1 1 1   14    7   29 o   18.170   0.9433 0.1593000 1.887000 
1 1 1   14    7   30 o   12.120   1.4360 0.2213000 2.871000 
1 1 1   14    7   31 o   27.290   0.6879 1.059000 1.376000 
1 1 1   14    7   32 o   10.180   1.6620 0.1027000 3.324000 
1 1 1   14    7   33 o   16.420   1.0220 2.218000 2.043000 
1 1 1   14    7   34 o   7.6950   1.5070 4.424000 3.015000 
1 1 1   14    8    0 o   5.0550   1.8590 -0.000000 0.000000 
1 1 1   14    8    1 o   44.660   0.3975 -0.8000000 0.7951000 
1 1 1   14    8    2 o   93.440   0.7011 1.458000 1.402000 
1 1 1   14    8    3 o   70.430   0.5433 3.618000 1.087000 
1 1 1   14    8    4 o   76.260   0.5825 2.491000 1.165000 
1 1 1   14    8    5 o   29.540   0.3841 1.583000 0.7683000 
1 1 1   14    8    6 o   47.880   0.4131 2.073000 0.8261000 
1 1 1   14    8    7 o   65.860   0.5565 0.3133000 1.113000 
1 1 1   14    8    8 o   13.570   0.7632 2.676000 1.526000 
1 1 1   14    8    9 o   36.050   0.4199 0.9960000 0.8397000 
1 1 1   14    8   10 o   45.990   0.4431 -2.520000 0.8862000 
1 1 1   14    8   11 o   28.460   0.4457 2.703000 0.8914000 
1 1 1   14    8   12 o   43.480   0.4668 -0.1260000E-01 0.9336000 
1 1 1   14    8   13 o   44.660   0.4409 -1.004000 0.8817000 
1 1 1   14    8   14 o   26.590   0.5295 4.258000 1.059000 
1 1 1   14    8   15 o   28.380   0.4518 3.323000 0.9037000 
1 1 1   14    8   16 o   25.750   0.4848 -0.2593000 0.9696000 
1 1 1   14    8   17 o   23.530   0.5170 -0.8044000 1.034000 
1 1 1   14    8   18 o   18.020   0.6599 2.234000 1.320000 
1 1 1   14    8   19 o   29.340   0.4848 -0.1676000 0.9696000 
1 1 1   14    8   20 o   14.020   1.1970      ?      ? 
1 1 1   14    8   21 o   11.040   1.2260 4.467000 2.453000 
1 1 1   14    8   22 o   27.740   0.6156 0.7671000 1.231000 
1 1 1   14    8   23 o   13.070   1.0800 2.269000 2.161000 
1 1 1   14    8   24 o   22.610   0.8179 -7.031000 1.636000 
1 1 1   14    8   25 o   37.780   0.5091 3.580000 1.018000 
1 1 1   14    8   26 o   22.440   0.6956 -2.414000 1.391000 
1 1 1   14    8   27 o   26.900   0.6187 -0.2493000 1.237000 
1 1 1   14    8   28 o   9.8770   1.6460 2.788000 3.292000 
1 1 1   14    8   29 o   15.890   1.0920 1.255000 2.185000 
1 1 1   14    8   30 o   26.230   0.6846 0.7327000 1.369000 
1 1 1   14    8   31 o   14.070   1.1790 -0.6587000 2.357000 
1 1 1   14    8   32 o   22.200   0.7644 -0.6130000 1.529000 
1 1 1   14    8   33 o   8.8180   1.6450 -3.681000 3.291000 
1 1 1   14    9    0 o   26.090   0.6262 -0.000000 0.000000 
1 1 1   14    9    1 o   39.650   0.4028 2.725000 0.8057000 
1 1 1   14    9    2 o   28.150   0.4252 -3.399000 0.8504000 
1 1 1   14    9    3 o   34.280   0.3975 1.108000 0.7949000 
1 1 1   14    9    4 o   32.260   0.4119 1.325000 0.8239000 
1 1 1   14    9    5 o   53.460   0.4502 -1.347000 0.9003000 
1 1 1   14    9    6 o   30.260   0.4187 -3.021000 0.8375000 
1 1 1   14    9    7 o   21.700   0.5562 -5.111000 1.112000 
1 1 1   14    9    8 o   30.930   0.4139 -3.233000 0.8278000 
1 1 1   14    9    9 o   33.770   0.4403 1.708000 0.8806000 
1 1 1   14    9   10 o   12.240   0.9246 2.597000 1.849000 
1 1 1   14    9   11 o   11.120   1.2640 -0.5142000 2.528000 
1 1 1   14    9   12 o   32.230   0.4562 -1.764000 0.9124000 
1 1 1   14    9   13 f   23.310   0.5502 -4.096000 1.100000 
1 1 1   14    9   14 o   62.480   0.5442 0.9139000 1.088000 
1 1 1   14    9   15 o   36.720   0.4503 0.4757000 0.9005000 
1 1 1   14    9   16 o   35.980   0.4555 1.899000 0.9110000 
1 1 1   14    9   17 o   34.580   0.5293 -0.8084000 1.059000 
1 1 1   14    9   18 o   36.210   0.4706 2.409000 0.9412000 
1 1 1   14    9   19 o   20.930   0.6686 1.305000 1.337000 
1 1 1   14    9   20 o   35.120   0.5006 -4.293000 1.001000 
1 1 1   14    9   21 o   17.190   0.9903 -2.312000 1.981000 
1 1 1   14    9   22 o   19.490   0.7555 2.011000 1.511000 
1 1 1   14    9   23 o   15.500   1.0030 4.163000 2.006000 
1 1 1   14    9   24 o   29.350   0.5964 0.2856000 1.193000 
1 1 1   14    9   25 o   22.220   0.9175 -3.552000 1.835000 
1 1 1   14    9   26 o   12.650   1.5310 0.9546000 3.061000 
1 1 1   14    9   27 f   22.490   0.7874 -0.8394000 1.575000 
1 1 1   14    9   28 o   16.790   1.0110 0.5837000 2.022000 
1 1 1   14    9   29 o   14.980   1.2470 2.951000 2.494000 
1 1 1   14    9   30 o   9.9160   1.7600 -0.6911000 3.519000 
1 1 1   14    9   31 o   17.450   1.0140 -5.085000 2.028000 
1 1 1   14    9   32 o   8.3910   1.7960 -0.9747000 3.592000 
1 1 1   14    9   33 o   7.2620   1.7530 -1.282000 3.507000 
1 1 1   14   10    0 o   34.280   0.5979 -0.000000 0.000000 
1 1 1   14   10    1 o   77.140   0.5968 -0.4979000 1.194000 
1 1 1   14   10    2 o   20.340   0.5695 1.742000 1.139000 
1 1 1   14   10    3 o   43.870   0.4231 -0.4720000 0.8462000 
1 1 1   14   10    4 o   36.440   0.4235 -1.459000 0.8470000 
1 1 1   14   10    5 o   12.750   0.8879 -1.530000 1.776000 
1 1 1   14   10    6 o   13.460   0.8292 -0.1901000 1.658000 
1 1 1   14   10    7 o   69.000   0.5448 -2.946000 1.090000 
1 1 1   14   10    8 o   4.5900   1.3750 0.5193000 2.750000 
1 1 1   14   10    9 o   19.260   0.6058 1.012000 1.212000 
1 1 1   14   10   10 o   25.230   0.4950 0.5546000 0.9899000 
1 1 1   14   10   11 o   25.910   0.5334 -2.844000 1.067000 
1 1 1   14   10   12 o   68.820   0.5877 -3.186000 1.175000 
1 1 1   14   10   13 o   53.900   0.5030 -1.247000 1.006000 
1 1 1   14   10   14 o   15.940   0.8187 0.4493000 1.637000 
1 1 1   14   10   15 f   53.790   0.5092 0.3359000 1.018000 
1 1 1   14   10   16 o   22.370   0.7357 0.6244000 1.471000 
1 1 1   14   10   17 o   34.540   0.5016 1.548000 1.003000 
1 1 1   14   10   18 o   21.150   0.7390 -6.219000 1.478000 
1 1 1   14   10   19 o   26.920   0.5991 3.884000 1.198000 
1 1 1   14   10   20 f   46.400   0.5145 -1.009000 1.029000 
1 1 1   14   10   21 o   19.880   0.8150 3.074000 1.630000 
1 1 1   14   10   22 o   24.660   0.6974 -1.475000 1.395000 
1 1 1   14   10   23 o   14.320   1.1880 -1.034000 2.375000 
1 1 1   14   10   24 o   24.550   0.8639 -1.312000 1.728000 
1 1 1   14   10   25 f   8.7340   1.8560 0.3489000 3.711000 
1 1 1   14   10   26 o   13.370   1.3760 1.957000 2.753000 
1 1 1   14   10   27 o   14.060   1.3880 6.183000 2.777000 
1 1 1   14   10   28 o   21.930   0.8514 -2.112000 1.703000 
1 1 1   14   10   29 o   12.760   1.4640 2.543000 2.928000 
1 1 1   14   10   30 o   13.500   1.4350 -2.481000 2.870000 
1 1 1   14   10   31 o   6.1530   1.7550 -2.618000 3.511000 
1 1 1   14   10   32 o   8.3560   1.7900 2.155000 3.580000 
1 1 1   14   11    0 o   10.220   1.6740 -0.000000 0.000000 
1 1 1   14   11    1 o   31.440   0.4661 -1.448000 0.9322000 
1 1 1   14   11    2 o   9.4410   1.3120 -0.7799000 2.624000 
1 1 1   14   11    3 o   44.510   0.4431 -2.509000 0.8862000 
1 1 1   14   11    4 o   38.490   0.4415 -1.507000 0.8829000 
1 1 1   14   11    5 o   61.320   0.5078 -3.204000 1.016000 
1 1 1   14   11    6 o   7.4410   1.5150 -1.026000 3.030000 
1 1 1   14   11    7 o   14.410   0.8782 -4.230000 1.756000 
1 1 1   14   11    8 o   29.410   0.4800 2.778000 0.9600000 
1 1 1   14   11    9 o   49.720   0.4585 -1.147000 0.9171000 
1 1 1   14   11   10 o   7.0890   1.3890 4.588000 2.778000 
1 1 1   14   11   11 o   29.780   0.4872 3.116000 0.9744000 
1 1 1   14   11   12 o   38.720   0.4897 4.948000 0.9795000 
1 1 1   14   11   13 o   33.800   0.4992 -0.7812000 0.9984000 
1 1 1   14   11   14 o   41.520   0.4939 0.4920000 0.9877000 
1 1 1   14   11   15 o   27.460   0.6129 0.5788000 1.226000 
1 1 1   14   11   16 o   30.030   0.5642 3.060000 1.128000 
1 1 1   14   11   17 f   42.740   0.5159 -3.133000 1.032000 
1 1 1   14   11   18 o   10.270   1.6750 -3.540000 3.350000 
1 1 1   14   11   19 o   58.240   0.5610 -3.352000 1.122000 
1 1 1   14   11   20 o   30.230   0.6108 -1.227000 1.222000 
1 1 1   14   11   21 o   21.120   0.9119 0.8562000 1.824000 
1 1 1   14   11   22 o   15.850   1.1380 -1.932000 2.275000 
1 1 1   14   11   23 o   14.690   1.4480 3.750000 2.896000 
1 1 1   14   11   24 o   12.320   1.5930 6.195000 3.186000 
1 1 1   14   11   25 o   14.840   1.3240 0.5034000 2.649000 
1 1 1   14   11   26 o   44.630   0.5844 -2.695000 1.169000 
1 1 1   14   11   27 o   9.7040   1.8110 -4.477000 3.621000 
1 1 1   14   11   28 o   8.9820   1.8620 -3.808000 3.724000 
1 1 1   14   11   29 o   12.490   1.5690 -0.2744000 3.138000 
1 1 1   14   11   30 o   9.7860   1.8050 2.477000 3.610000 
1 1 1   14   11   31 o   11.150   1.6040 -0.6547000 3.207000 
1 1 1   14   11   32 o   8.9530   1.8420 3.122000 3.685000 
1 1 1   14   12    0 o   32.910   0.7875 -0.000000 0.000000 
1 1 1   14   12    1 o   26.330   0.5413 -0.3851000 1.083000 
1 1 1   14   12    2 o   27.840   0.5158 0.3708000 1.032000 
1 1 1   14   12    3 o   69.130   0.5586 -0.4435000 1.117000 
1 1 1   14   12    4 o   15.830   0.8381 -0.7500000 1.676000 
1 1 1   14   12    5 o   43.570   0.4561 1.599000 0.9122000 
1 1 1   14   12    6 o   32.280   0.4871 -1.240000 0.9741000 
1 1 1   14   12    7 o   40.120   0.4596 2.783000 0.9192000 
1 1 1   14   12    8 o   32.570   0.4869 -1.087000 0.9737000 
1 1 1   14   12    9 o   26.990   0.5596 1.457000 1.119000 
1 1 1   14   12   10 o   18.210   0.8232 8.544000 1.646000 
1 1 1   14   12   11 o   21.150   0.7248 3.476000 1.450000 
1 1 1   14   12   12 o   60.180   0.5153 0.5275000 1.031000 
1 1 1   14   12   13 o   22.210   0.6571 -1.643000 1.314000 
1 1 1   14   12   14 o   15.860   0.9066 -2.194000 1.813000 
1 1 1   14   12   15 o   30.520   0.6789 -0.3134000 1.358000 
1 1 1   14   12   16 o   14.640   1.1350 -1.282000 2.270000 
1 1 1   14   12   17 o   15.530   1.0810 2.687000 2.163000 
1 1 1   14   12   18 o   21.950   0.9658 -1.436000 1.932000 
1 1 1   14   12   19 o   9.0600   1.7260 4.777000 3.453000 
1 1 1   14   12   20 o   21.120   0.8794 0.1644000 1.759000 
1 1 1   14   12   21 o   13.870   1.3750 0.9459000 2.751000 
1 1 1   14   12   22 o   16.520   1.2720 7.537000 2.544000 
1 1 1   14   12   23 o   11.980   1.7170 1.279000 3.435000 
1 1 1   14   12   24 o   20.330   1.0200 -0.1655000 2.040000 
1 1 1   14   12   25 o   16.430   1.2750 -2.193000 2.550000 
1 1 1   14   12   26 o   15.500   1.4360 -4.916000 2.873000 
1 1 1   14   12   27 f   26.870   0.7960 0.7741000 1.592000 
1 1 1   14   12   28 o   8.9180   1.8630 -4.146000 3.727000 
1 1 1   14   12   29 o   10.130   1.8850 -0.9960000 3.769000 
1 1 1   14   12   30 o   9.0820   1.9200 0.9514000E-01 3.840000 
1 1 1   14   12   31 o   11.800   1.6070 -1.373000 3.213000 
1 1 1   14   13    0 o   32.670   0.7160 -0.000000 0.000000 
1 1 1   14   13    1 o   35.650   0.4897 -1.188000 0.9793000 
1 1 1   14   13    2 o   24.460   0.6171 2.543000 1.234000 
1 1 1   14   13    3 o   41.550   0.4755 -1.145000 0.9511000 
1 1 1   14   13    4 o   40.270   0.4754 1.307000 0.9508000 
1 1 1   14   13    5 o   40.900   0.4767 -0.1945000 0.9534000 
1 1 1   14   13    6 o   6.5830   1.6810 -0.6616000 3.361000 
1 1 1   14   13    7 o   43.600   0.4859 2.278000 0.9719000 
1 1 1   14   13    8 o   14.900   1.1650 -5.700000 2.330000 
1 1 1   14   13    9 o   46.040   0.4885 -0.9919000 0.9769000 
1 1 1   14   13   10 o   14.020   1.0630 -1.518000 2.126000 
1 1 1   14   13   11 o   29.440   0.5648 -2.103000 1.130000 
1 1 1   14   13   12 o   28.410   0.5895 -2.785000 1.179000 
1 1 1   14   13   13 o   67.240   0.5631 -0.1139000 1.126000 
1 1 1   14   13   14 o   7.7130   1.7000 5.440000 3.400000 
1 1 1   14   13   15 o   15.060   1.0550 0.6504000 2.110000 
1 1 1   14   13   16 o   17.690   1.0110 3.332000 2.022000 
1 1 1   14   13   17 o   20.790   0.9390 8.517000 1.878000 
1 1 1   14   13   18 o   41.800   0.5824 1.216000 1.165000 
1 1 1   14   13   19 o   18.900   1.0240 3.765000 2.048000 
1 1 1   14   13   20 o   8.8910   1.8260 -4.111000 3.652000 
1 1 1   14   13   21 o   13.880   1.4900 0.4931000 2.981000 
1 1 1   14   13   22 o   8.0260   2.0190 2.001000 4.037000 
1 1 1   14   13   23 o   18.920   1.1510 2.605000 2.301000 
1 1 1   14   13   24 o   6.0060   1.8400 1.888000 3.680000 
1 1 1   14   13   25 o   18.390   1.2110 -2.099000 2.422000 
1 1 1   14   13   26 o   12.450   1.7510 3.347000 3.503000 
1 1 1   14   13   27 f   8.8680   2.0270 -0.9823000 4.054000 
1 1 1   14   13   28 o   9.5060   1.9620 2.247000 3.924000 
1 1 1   14   13   29 o   10.950   1.8300 2.544000 3.660000 
1 1 1   14   13   30 o   9.7910   1.7290 6.856000 3.457000 
1 1 1   14   14    0 o   14.800   1.4730 -0.000000 0.000000 
1 1 1   14   14    1 o   23.850   0.6918 3.826000 1.384000 
1 1 1   14   14    2 o   38.620   0.5140 -4.195000 1.028000 
1 1 1   14   14    3 o   23.590   0.6861 0.5307000 1.372000 
1 1 1   14   14    4 o   23.750   0.6825 -2.762000 1.365000 
1 1 1   14   14    5 o   16.460   0.9450 0.6444000 1.890000 
1 1 1   14   14    6 o   25.760   0.6535 4.495000 1.307000 
1 1 1   14   14    7 o   52.030   0.5099 0.1176000 1.020000 
1 1 1   14   14    8 o   35.460   0.5367 0.4443000 1.073000 
1 1 1   14   14    9 f   15.800   1.0250 -0.8033000 2.050000 
1 1 1   14   14   10 o   30.510   0.6515 -1.997000 1.303000 
1 1 1   14   14   11 o   28.330   0.6298 1.839000 1.260000 
1 1 1   14   14   12 f   15.570   1.0680 2.003000 2.136000 
1 1 1   14   14   13 o   15.320   1.1920 -1.245000 2.384000 
1 1 1   14   14   14 o   24.230   0.7273 -0.1506000 1.455000 
1 1 1   14   14   15 o   18.380   0.9576 1.414000 1.915000 
1 1 1   14   14   16 o   36.600   0.5722 -0.7325000E-01 1.144000 
1 1 1   14   14   17 o   33.320   0.6093 1.757000 1.219000 
1 1 1   14   14   18 o   16.700   1.2230 0.3365000 2.446000 
1 1 1   14   14   19 o   16.080   1.3180 4.157000 2.636000 
1 1 1   14   14   20 o   12.170   1.7750 -1.537000 3.550000 
1 1 1   14   14   21 o   15.230   1.4560 1.073000 2.913000 
1 1 1   14   14   22 o   12.770   1.7810 0.3113000 3.561000 
1 1 1   14   14   23 o   7.5490   2.0480 -0.2822000 4.097000 
1 1 1   14   14   24 o   9.0710   2.0210 -3.104000 4.042000 
1 1 1   14   14   25 f   6.8060   1.9390 -2.047000 3.879000 
1 1 1   14   14   26 o   12.810   1.7220 -0.4779000E-01 3.443000 
1 1 1   14   14   27 o   11.030   1.9020 2.134000 3.804000 
1 1 1   14   14   28 o   8.9380   1.9860 -0.1742000E-01 3.972000 
1 1 1   14   14   29 o   7.4320   1.9010 -2.121000 3.802000 
1 1 1   14   15    0 o   6.9670   2.5660 -0.000000 0.000000 
1 1 1   14   15    1 o   38.500   0.5400 1.382000 1.080000 
1 1 1   14   15    2 o   15.710   1.0910 -1.782000 2.181000 
1 1 1   14   15    3 o   28.350   0.6367 0.7105000 1.273000 
1 1 1   14   15    4 o   38.530   0.5426 1.341000 1.085000 
1 1 1   14   15    5 o   14.140   1.2280 -1.208000 2.456000 
1 1 1   14   15    6 f   17.040   1.0170 1.313000 2.034000 
1 1 1   14   15    7 o   28.730   0.6454 -2.681000 1.291000 
1 1 1   14   15    8 o   23.720   0.7593 -4.500000 1.519000 
1 1 1   14   15    9 o   38.050   0.5599 -1.249000 1.120000 
1 1 1   14   15   10 o   17.690   1.0090 -1.330000 2.018000 
1 1 1   14   15   11 o   14.550   1.2340 1.170000 2.469000 
1 1 1   14   15   12 o   31.420   0.6228 0.7650000 1.246000 
1 1 1   14   15   13 f   6.7290   1.8270 -1.354000 3.655000 
1 1 1   14   15   14 o   23.870   0.8828 1.852000 1.766000 
1 1 1   14   15   15 o   31.100   0.6658 -0.2364000 1.332000 
1 1 1   14   15   16 o   17.570   1.1990 -2.387000 2.397000 
1 1 1   14   15   17 o   25.300   0.7974 -3.147000 1.595000 
1 1 1   14   15   18 o   29.260   0.7199 -0.1503000E-01 1.440000 
1 1 1   14   15   19 o   6.2820   1.9230 -1.365000 3.847000 
1 1 1   14   15   20 o   13.500   1.7110 1.986000 3.421000 
1 1 1   14   15   21 o   16.670   1.4250 -1.012000 2.849000 
1 1 1   14   15   22 o   9.7960   1.8360 7.593000 3.673000 
1 1 1   14   15   23 o   16.720   1.3990 -1.708000 2.799000 
1 1 1   14   15   24 o   9.7280   1.8390 7.298000 3.678000 
1 1 1   14   15   25 o   7.1110   1.9600 3.259000 3.920000 
1 1 1   14   15   26 o   5.3230   1.7280 0.2795000 3.456000 
1 1 1   14   15   27 o   8.0210   1.8330 -4.992000 3.667000 
1 1 1   14   15   28 o   5.9410   1.7820 -2.069000 3.563000 
1 1 1   14   16    0 o   31.350   0.8999 -0.000000 0.000000 
1 1 1   14   16    1 o   19.540   0.9234 0.2961000 1.847000 
1 1 1   14   16    2 o   33.400   0.6077 -0.8934000 1.215000 
1 1 1   14   16    3 o   39.290   0.5637 -0.2863000 1.127000 
1 1 1   14   16    4 o   53.570   0.5911 -0.6452000 1.182000 
1 1 1   14   16    5 o   53.140   0.5487 1.592000 1.097000 
1 1 1   14   16    6 o   27.380   0.7224 1.390000 1.445000 
1 1 1   14   16    7 o   43.200   0.5524 -0.9834000 1.105000 
1 1 1   14   16    8 f   24.810   0.7785 2.379000 1.557000 
1 1 1   14   16    9 o   33.760   0.6240 -0.4536000E-02 1.248000 
1 1 1   14   16   10 o   41.130   0.5682 1.091000 1.136000 
1 1 1   14   16   11 o   18.660   1.0440 -1.307000 2.089000 
1 1 1   14   16   12 o   19.310   1.0340 -1.823000 2.068000 
1 1 1   14   16   13 f   18.070   1.0970 -1.865000 2.194000 
1 1 1   14   16   14 o   21.850   0.9162 -0.5843000 1.832000 
1 1 1   14   16   15 o   22.280   1.0020 -3.052000 2.005000 
1 1 1   14   16   16 o   18.770   1.1030 -1.723000 2.205000 
1 1 1   14   16   17 o   27.630   0.7888 -1.460000 1.578000 
1 1 1   14   16   18 o   5.2740   1.7120 0.4593000 3.424000 
1 1 1   14   16   19 f   10.400   1.9610 2.701000 3.922000 
1 1 1   14   16   20 o   18.850   1.3040 -3.598000 2.607000 
1 1 1   14   16   21 o   16.120   1.4780 -0.8179000 2.956000 
1 1 1   14   16   22 o   9.7190   1.7690 -7.584000 3.537000 
1 1 1   14   16   23 o   10.420   1.9780 -4.375000 3.956000 
1 1 1   14   16   24 o   10.430   2.0210 3.331000 4.043000 
1 1 1   14   16   25 o   10.190   1.9930 -3.318000 3.985000 
1 1 1   14   16   26 o   8.9830   2.0220 3.672000 4.043000 
1 1 1   14   16   27 o   8.0130   1.9980 3.107000 3.995000 
1 1 1   14   17    0 o   17.230   1.6180 -0.000000 0.000000 
1 1 1   14   17    1 o   18.950   1.0630 5.113000 2.125000 
1 1 1   14   17    2 o   29.370   0.7835 2.000000 1.567000 
1 1 1   14   17    3 o   9.4850   1.6480 7.542000 3.296000 
1 1 1   14   17    4 o   12.400   1.6190 1.220000 3.239000 
1 1 1   14   17    5 f   21.710   0.9340 3.035000 1.868000 
1 1 1   14   17    6 o   12.750   1.6210 -4.129000 3.243000 
1 1 1   14   17    7 o   9.4150   1.9390 1.777000 3.878000 
1 1 1   14   17    8 o   17.970   1.2110 5.919000 2.422000 
1 1 1   14   17    9 o   23.290   0.8970 -0.8463000 1.794000 
1 1 1   14   17   10 o   16.410   1.3050 4.327000 2.610000 
1 1 1   14   17   11 o   30.250   0.7305 -0.5568000 1.461000 
1 1 1   14   17   12 o   29.630   0.7447 -0.7078000 1.489000 
1 1 1   14   17   13 o   10.610   1.9300 1.507000 3.861000 
1 1 1   14   17   14 o   23.450   0.9136 -1.154000 1.827000 
1 1 1   14   17   15 o   15.300   1.4210 0.8428000 2.842000 
1 1 1   14   17   16 o   18.340   1.2100 3.041000 2.421000 
1 1 1   14   17   17 o   7.5290   2.0220 1.623000 4.045000 
1 1 1   14   17   18 o   13.620   1.6900 -4.481000 3.380000 
1 1 1   14   17   19 o   24.890   0.9228 2.178000 1.846000 
1 1 1   14   17   20 o   7.7740   1.8670 5.197000 3.734000 
1 1 1   14   17   21 o   8.7760   2.0090 3.444000 4.019000 
1 1 1   14   17   22 o   10.210   2.0780 3.303000 4.156000 
1 1 1   14   17   23 f   11.610   1.8600 -6.303000 3.719000 
1 1 1   14   17   24 o   5.9440   1.8710 1.793000 3.742000 
1 1 1   14   17   25 o   7.7160   1.9290 5.121000 3.858000 
1 1 1   14   17   26 o   6.9590   2.1430 1.201000 4.286000 
1 1 1   14   18    0 o   19.540   1.5740 -0.000000 0.000000 
1 1 1   14   18    1 o   10.260   1.9690 2.120000 3.939000 
1 1 1   14   18    2 o   11.220   1.7230 8.063000 3.445000 
1 1 1   14   18    3 o   21.000   1.0290 -0.5081000 2.057000 
1 1 1   14   18    4 o   9.3620   1.9950 -2.930000 3.990000 
1 1 1   14   18    5 o   21.190   1.0220 2.537000 2.045000 
1 1 1   14   18    6 o   17.490   1.2430 0.3123000 2.486000 
1 1 1   14   18    7 o   9.6490   1.9620 -4.131000 3.925000 
1 1 1   14   18    8 o   19.120   1.1600 0.7809000 2.320000 
1 1 1   14   18    9 o   13.160   1.7610 7.014000 3.521000 
1 1 1   14   18   10 o   16.940   1.3500 0.3872000 2.700000 
1 1 1   14   18   11 o   8.1660   2.0820 -0.6928000 4.163000 
1 1 1   14   18   12 o   13.200   1.7390 -4.604000 3.478000 
1 1 1   14   18   13 o   33.190   0.7362 0.4484000 1.472000 
1 1 1   14   18   14 o   11.560   1.8850 -4.913000 3.770000 
1 1 1   14   18   15 o   7.1230   1.8330 5.310000 3.666000 
1 1 1   14   18   16 o   9.8820   2.0540 -2.194000 4.108000 
1 1 1   14   18   17 f   15.520   1.5570 -0.4753000 3.114000 
1 1 1   14   18   18 f   15.750   1.4750 -1.359000 2.949000 
1 1 1   14   18   19 o   15.980   1.4360 -1.186000 2.872000 
1 1 1   14   18   20 o   13.290   1.7430 5.177000 3.486000 
1 1 1   14   18   21 o   8.1400   2.0130 -2.470000 4.026000 
1 1 1   14   18   22 o   7.4560   2.0220 -0.2212000 4.045000 
1 1 1   14   18   23 o   8.8150   2.1270 -1.009000 4.255000 
1 1 1   14   18   24 o   9.9280   1.8640 -5.833000 3.728000 
1 1 1   14   19    0 o   12.200   2.6440 -0.000000 0.000000 
1 1 1   14   19    1 o   8.9170   2.0940 -0.2535000 4.188000 
1 1 1   14   19    2 f   16.170   1.3920 -0.1549000 2.783000 
1 1 1   14   19    3 o   17.970   1.2650 0.8675000 2.529000 
1 1 1   14   19    4 o   12.550   2.0060 -0.6784000 4.012000 
1 1 1   14   19    5 o   7.3300   2.0540 0.5456000 4.108000 
1 1 1   14   19    6 o   9.9230   2.0860 -2.344000 4.172000 
1 1 1   14   19    7 f   12.020   1.9650 -0.8131000 3.931000 
1 1 1   14   19    8 o   13.800   1.7550 5.203000 3.511000 
1 1 1   14   19    9 o   13.160   1.8050 -6.988000 3.609000 
1 1 1   14   19   10 o   11.560   2.0100 2.626000 4.020000 
1 1 1   14   19   11 o   16.590   1.4440 0.7581000 2.888000 
1 1 1   14   19   12 o   17.970   1.3940 -6.784000 2.788000 
1 1 1   14   19   13 o   13.010   1.8310 5.130000 3.663000 
1 1 1   14   19   14 o   11.560   1.9910 -2.660000 3.982000 
1 1 1   14   19   15 o   9.8030   2.1210 0.3995000 4.242000 
1 1 1   14   19   16 o   9.0830   2.0880 2.324000 4.176000 
1 1 1   14   19   17 o   7.1010   2.0130 0.5378000 4.027000 
1 1 1   14   19   18 o   10.760   2.0170 0.2829000 4.035000 
1 1 1   14   19   19 o   7.4120   1.9390 -3.846000 3.879000 
1 1 1   14   19   20 o   7.1090   2.0020 -1.421000 4.004000 
1 1 1   14   19   21 o   11.860   1.7940 6.640000 3.588000 
1 1 1   14   19   22 o   9.9670   2.0030 0.4070000 4.005000 
1 1 1   14   19   23 o   8.2910   3.7220      ?      ? 
1 1 1   14   20    0 o   13.270   2.6480 -0.000000 0.000000 
1 1 1   14   20    1 o   13.940   1.7880 1.552000 3.576000 
1 1 1   14   20    2 o   8.8730   2.1910 0.6945000 4.382000 
1 1 1   14   20    3 o   7.8660   2.1600 0.2306000 4.321000 
1 1 1   14   20    4 o   8.3500   2.1480 2.132000 4.296000 
1 1 1   14   20    5 o   10.220   2.1550 1.922000 4.311000 
1 1 1   14   20    6 o   6.3940   1.9450 2.256000 3.890000 
1 1 1   14   20    7 o   10.360   1.9430 6.614000 3.886000 
1 1 1   14   20    8 o   6.9260   1.9880 -3.095000 3.976000 
1 1 1   14   20    9 o   10.620   2.1030 -1.697000 4.207000 
1 1 1   14   20   10 o   14.170   1.7620 0.6765000E-01 3.523000 
1 1 1   14   20   11 o   12.640   1.9420 -1.719000 3.884000 
1 1 1   14   20   12 o   10.660   1.9560 -6.192000 3.911000 
1 1 1   14   20   13 o   16.240   1.4540 0.8791000 2.908000 
1 1 1   14   20   14 o   9.6230   1.9200 -5.970000 3.839000 
1 1 1   14   20   15 o   12.980   1.8070 4.589000 3.613000 
1 1 1   14   20   16 o   7.8340   2.0530 -2.462000 4.106000 
1 1 1   14   20   17 o   4.9220   1.6450 1.120000 3.290000 
1 1 1   14   20   18 o   6.9600   1.9880 1.563000 3.975000 
1 1 1   14   20   19 o   7.2240   2.0270 -0.1203000 4.054000 
1 1 1   14   20   20 o   5.9260   1.8360 -1.255000 3.672000 
1 1 1   14   20   21 o   5.8030   1.8290 -0.3464000E-01 3.657000 
1 1 1   14   21    0 o   6.3510   2.7800 -0.000000 0.000000 
1 1 1   14   21    1 o   7.4530   2.0910 2.655000 4.183000 
1 1 1   14   21    2 o   10.330   2.1810 1.046000 4.362000 
1 1 1   14   21    3 o   13.020   1.9470 1.124000 3.894000 
1 1 1   14   21    4 o   11.040   1.9730 -6.699000 3.945000 
1 1 1   14   21    5 o   17.010   1.5220 3.062000 3.045000 
1 1 1   14   21    6 f   11.750   2.0340 -5.129000 4.069000 
1 1 1   14   21    7 o   21.280   1.2310 5.251000 2.461000 
1 1 1   14   21    8 o   9.1500   2.2140 -0.2610000 4.427000 
1 1 1   14   21    9 o   6.8840   2.0550 -0.8349000 4.109000 
1 1 1   14   21   10 o   7.7680   2.1060 2.168000 4.212000 
1 1 1   14   21   11 o   8.0510   2.1340 -1.761000 4.269000 
1 1 1   14   21   12 o   8.3000   2.0400 3.823000 4.080000 
1 1 1   14   21   13 o   7.1800   2.0560 0.5551000 4.113000 
1 1 1   14   21   14 o   7.4850   2.0200 2.352000 4.040000 
1 1 1   14   21   15 o   5.8590   1.8470 0.6430000 3.693000 
1 1 1   14   21   16 o   5.7340   1.8100 1.729000 3.620000 
1 1 1   14   21   17 o   7.3130   2.0380 0.2267000 4.077000 
1 1 1   14   21   18 o   10.760   1.9600 1.848000 3.920000 
1 1 1   14   21   19 o   8.4100   2.4430 -0.3915000 4.885000 
1 1 1   14   22    0 o   17.100   2.1120 -0.000000 0.000000 
1 1 1   14   22    1 o   8.7550   2.2390 0.4658000 4.479000 
1 1 1   14   22    2 o   8.2580   2.1980 -0.7491000 4.396000 
1 1 1   14   22    3 o   11.330   2.1350 3.038000 4.269000 
1 1 1   14   22    4 o   11.370   2.1360 0.1482000 4.273000 
1 1 1   14   22    5 o   7.4400   2.0060 -4.521000 4.012000 
1 1 1   14   22    6 o   12.430   1.8920 8.176000 3.783000 
1 1 1   14   22    7 o   8.3910   2.1900 0.4635000 4.381000 
1 1 1   14   22    8 o   14.350   1.7750 4.696000 3.551000 
1 1 1   14   22    9 o   15.180   1.6270 -1.634000 3.255000 
1 1 1   14   22   10 f   7.4480   2.0380 2.792000 4.076000 
1 1 1   14   22   11 o   7.9050   2.1060 -0.9933000 4.212000 
1 1 1   14   22   12 o   6.0740   1.8490 -2.918000 3.698000 
1 1 1   14   22   13 o   9.8200   2.0480 2.855000 4.097000 
1 1 1   14   22   14 o   5.9010   1.8450 1.199000 3.691000 
1 1 1   14   22   15 o   8.1290   1.7640 6.614000 3.528000 
1 1 1   14   22   16 o   6.9600   1.8780 -3.642000 3.756000 
1 1 1   14   23    0 o   10.790   3.1350 -0.000000 0.000000 
1 1 1   14   23    1 o   7.5350   2.1530 0.1176000 4.306000 
1 1 1   14   23    2 o   8.1460   2.2090 -0.1639000E-01 4.418000 
1 1 1   14   23    3 o   8.6100   2.2100 -1.305000 4.419000 
1 1 1   14   23    4 o   8.2290   2.1990 0.5047000 4.399000 
1 1 1   14   23    5 o   9.4280   2.2050 -1.468000 4.411000 
1 1 1   14   23    6 o   5.0930   1.7020 1.953000 3.403000 
1 1 1   14   23    7 o   7.5030   2.1130 -0.5552000 4.225000 
1 1 1   14   23    8 o   6.0310   1.9020 0.7722000 3.805000 
1 1 1   14   23    9 o   9.7160   2.0690 -3.557000 4.139000 
1 1 1   14   23   10 o   11.500   1.9940 0.5014000E-01 3.988000 
1 1 1   14   23   11 o   9.2490   2.0850 0.3353000 4.171000 
1 1 1   14   23   12 o   7.1710   1.9550 -2.270000 3.909000 
1 1 1   14   23   13 f   8.3670   1.9170 -4.304000 3.834000 
1 1 1   14   24    0 o   5.9640   2.7050 -0.000000 0.000000 
1 1 1   14   24    1 o   6.9270   2.0510 -1.119000 4.103000 
1 1 1   14   24    2 o   6.9310   2.0130 -2.717000 4.026000 
1 1 1   14   24    3 o   6.6440   2.0200 -0.3554000E-01 4.039000 
1 1 1   14   24    4 o   5.8420   1.8620 1.957000 3.724000 
1 1 1   14   24    5 o   8.5320   2.1570 -1.083000 4.314000 
1 1 1   14   24    6 o   7.2880   2.0530 1.369000 4.106000 
1 1 1   14   24    7 o   8.3030   1.8830 5.794000 3.766000 
1 1 1   14   24    8 f   6.9910   1.9640 -2.430000 3.929000 
1 1 1   14   24    9 o   10.610   3.6150      ?      ? 
1 1 1   15    0    1 o  118.700   1.2380 -0.000000 0.000000 
1 1 1   15    0    2 o   17.220   0.3199 -0.000000 0.000000 
1 1 1   15    0    3 o   23.320   0.3164 -0.000000 0.000000 
1 1 1   15    0    4 o  137.700   1.6590 -0.000000 0.000000 
1 1 1   15    0    5 o   42.430   0.5314 -0.000000 0.000000 
1 1 1   15    0    6 o   58.790   0.7179 -0.000000 0.000000 
1 1 1   15    0    7 o  114.200   1.3770 -0.000000 0.000000 
1 1 1   15    0    8 o  113.800   1.3740 -0.000000 0.000000 
1 1 1   15    0    9 o   94.350   1.1430 -0.000000 0.000000 
1 1 1   15    0   10 o   79.290   1.1820 -0.000000 0.000000 
1 1 1   15    0   11 o   9.0360   0.7044 -0.000000 0.000000 
1 1 1   15    0   12 o   5.5180   1.1690 -0.000000 0.000000 
1 1 1   15    0   13 o   83.930   1.2810 -0.000000 0.000000 
1 1 1   15    0   14 o   14.000   1.1140 -0.000000 0.000000 
1 1 1   15    0   15 o   8.9270   1.8400 -0.000000 0.000000 
1 1 1   15    0   16 o   44.110   1.0060 -0.000000 0.000000 
1 1 1   15    0   17 o   44.020   1.0190 -0.000000 0.000000 
1 1 1   15    0   18 o   47.800   1.0860 -0.000000 0.000000 
1 1 1   15    0   19 o   54.690   1.2200 -0.000000 0.000000 
1 1 1   15    0   20 o   10.260   2.1290 -0.000000 0.000000 
1 1 1   15    0   21 o   12.150   1.9770 -0.000000 0.000000 
1 1 1   15    0   22 o   26.320   1.1140 -0.000000 0.000000 
1 1 1   15    0   23 o   18.570   1.4020 -0.000000 0.000000 
1 1 1   15    0   24 o   15.970   1.7110 -0.000000 0.000000 
1 1 1   15    0   25 o   6.3530   2.6560 -0.000000 0.000000 
1 1 1   15    0   26 o   7.6690   2.9030 -0.000000 0.000000 
1 1 1   15    0   27 o   33.370   1.2480 -0.000000 0.000000 
1 1 1   15    0   28 o   32.780   1.3070 -0.000000 0.000000 
1 1 1   15    0   29 o   5.3380   2.5260 -0.000000 0.000000 
1 1 1   15    0   30 o   13.540   2.8190 -0.000000 0.000000 
1 1 1   15    0   31 o   41.670   1.2750 -0.000000 0.000000 
1 1 1   15    0   32 o   33.960   1.3650 -0.000000 0.000000 
1 1 1   15    0   33 o   7.2490   3.0840 -0.000000 0.000000 
1 1 1   15    0   34 o   16.790   2.3050 -0.000000 0.000000 
1 1 1   15    0   35 o   13.750   2.6950 -0.000000 0.000000 
1 1 1   15    1    0 o   81.350   1.2050 -0.000000 0.000000 
1 1 1   15    1    1 o  101.800   1.0630 0.9632000E-01 2.126000 
1 1 1   15    1    2 o  111.900   1.1680 -0.3520000 2.335000 
1 1 1   15    1    3 o  129.600   1.3520 -6.563000 2.705000 
1 1 1   15    1    4 o   70.550   0.7418 0.6443000 1.484000 
1 1 1   15    1    5 o  162.800   1.6960 -6.009000 3.392000 
1 1 1   15    1    6 o   36.960   0.4167 3.172000 0.8334000 
1 1 1   15    1    7 o  106.100   1.1080 0.2281000 2.216000 
1 1 1   15    1    8 o   18.180   0.3470 0.4595000E-01 0.6939000 
1 1 1   15    1    9 o   90.210   0.9470 -5.049000 1.894000 
1 1 1   15    1   10 o   30.080   0.3741 -1.225000 0.7483000 
1 1 1   15    1   11 o   33.470   0.4017 1.334000 0.8035000 
1 1 1   15    1   12 o   67.660   0.6573 -0.5865000E-01 1.315000 
1 1 1   15    1   13 o   78.990   0.7395 -7.862000 1.479000 
1 1 1   15    1   14 o   61.900   0.6622 0.4449000 1.324000 
1 1 1   15    1   15 o   14.620   0.5539      ?      ? 
1 1 1   15    1   16 o   68.670   0.8897 6.307000 1.779000 
1 1 1   15    1   17 o   29.410   0.5393      ?      ? 
1 1 1   15    1   19 o   26.660   0.5555      ?      ? 
1 1 1   15    1   20 o   60.910   0.8222 -1.462000 1.644000 
1 1 1   15    1   21 o   13.130   0.8880 -1.801000 1.776000 
1 1 1   15    1   22 o   59.340   0.8089 0.1153000 1.618000 
1 1 1   15    1   23 o   48.080   0.6644 -3.480000 1.329000 
1 1 1   15    1   24 o   80.280   0.9979 0.6765000 1.996000 
1 1 1   15    1   25 o   25.850   0.6807 1.654000 1.361000 
1 1 1   15    1   26 o   18.930   0.8329 -2.746000 1.666000 
1 1 1   15    1   27 o   16.460   1.0400 -1.208000 2.079000 
1 1 1   15    1   28 o   29.340   0.7378 -0.7233000 1.476000 
1 1 1   15    1   29 o   20.770   0.9785 -0.8607000 1.957000 
1 1 1   15    1   30 o   20.720   0.9935 0.6329000 1.987000 
1 1 1   15    1   31 o   17.050   1.3460 2.508000 2.692000 
1 1 1   15    1   32 o   11.480   1.6300 7.304000 3.260000 
1 1 1   15    1   33 f   9.1100   1.7900 -5.140000 3.581000 
1 1 1   15    1   34 o   11.940   1.6600 2.561000 3.320000 
1 1 1   15    1   35 o   7.5870   1.8470 -2.770000 3.695000 
1 1 1   15    2    0 o   10.270   0.7219 -0.000000 0.000000 
1 1 1   15    2    1 o  111.000   1.1590 -2.815000 2.318000 
1 1 1   15    2    2 o   33.700   0.4077 -16.29000 0.8154000 
1 1 1   15    2    3 o   44.920   0.4951 11.98000 0.9903000 
1 1 1   15    2    4 o   21.000   0.3462 4.976000 0.6925000 
1 1 1   15    2    5 o  132.200   1.3790 -2.101000 2.757000 
1 1 1   15    2    6 o   55.160   0.5907 1.464000 1.181000 
1 1 1   15    2    7 o   95.910   1.0040 2.502000 2.009000 
1 1 1   15    2    8 o   59.210   0.6320 0.6464000 1.264000 
1 1 1   15    2    9 o  116.500   1.2180 5.266000 2.436000 
1 1 1   15    2   10 o   37.530   0.3972 4.280000 0.7943000 
1 1 1   15    2   11 o   88.570   0.8561 -5.441000 1.712000 
1 1 1   15    2   12 o   71.740   0.6946 -1.355000 1.389000 
1 1 1   15    2   13 o   28.330   0.3551 1.181000 0.7102000 
1 1 1   15    2   14 o   17.630   0.3879 -0.1859000 0.7757000 
1 1 1   15    2   15 o   17.720   0.4078 0.2978000E-01 0.8156000 
1 1 1   15    2   16 o   42.210   0.5502      ?      ? 
1 1 1   15    2   17 o   33.320   0.3831 3.530000 0.7661000 
1 1 1   15    2   18 o   8.3450   0.7532 0.8240000 1.506000 
1 1 1   15    2   19 o   51.160   0.6661 1.234000 1.332000 
1 1 1   15    2   20 o   33.720   0.5890 -4.702000 1.178000 
1 1 1   15    2   21 o   22.410   1.1920      ?      ? 
1 1 1   15    2   22 o   27.330   1.1270      ?      ? 
1 1 1   15    2   23 o   41.390   0.7258      ?      ? 
1 1 1   15    2   26 o   41.810   0.7709      ?      ? 
1 1 1   15    2   28 o   24.910   0.9084 4.536000 1.817000 
1 1 1   15    2   29 o   18.290   1.1110 -1.870000 2.222000 
1 1 1   15    2   30 o   18.240   1.1000 -0.6614000 2.200000 
1 1 1   15    2   31 o   15.300   1.3560 -0.3721000 2.713000 
1 1 1   15    2   32 o   23.760   1.0270 4.132000 2.055000 
1 1 1   15    2   33 o   9.6880   1.7040 2.885000 3.408000 
1 1 1   15    2   34 o   7.5290   1.6870 1.505000 3.374000 
1 1 1   15    2   35 o   8.7130   1.7040 0.8325000 3.408000 
1 1 1   15    3    0 o   26.970   0.5353 -0.000000 0.000000 
1 1 1   15    3    1 o  134.300   1.4010 4.208000 2.802000 
1 1 1   15    3    2 o   46.310   0.5139 8.436000 1.028000 
1 1 1   15    3    3 f   49.960   0.5459 -4.145000 1.092000 
1 1 1   15    3    4 o   51.620   0.5627 -7.352000 1.125000 
1 1 1   15    3    5 o   87.790   0.9221 -0.9390000 1.844000 
1 1 1   15    3    6 o   95.570   1.0020 -0.4804000 2.004000 
1 1 1   15    3    7 o   56.680   0.5620 -3.624000 1.124000 
1 1 1   15    3    8 o   99.950   0.9514 5.425000 1.903000 
1 1 1   15    3    9 o   57.620   0.5671 0.4675000 1.134000 
1 1 1   15    3   10 o  140.300   1.3410 -3.441000 2.682000 
1 1 1   15    3   11 o   63.590   0.6235 -1.390000 1.247000 
1 1 1   15    3   12 o   28.100   0.3791 1.862000 0.7582000 
1 1 1   15    3   13 o   80.940   0.6978 -1.143000 1.396000 
1 1 1   15    3   14 o   29.830   0.3634 -0.4218000 0.7268000 
1 1 1   15    3   15 o   52.370   0.4680 -0.1426000 0.9360000 
1 1 1   15    3   16 o   16.650   0.4106 -1.319000 0.8212000 
1 1 1   15    3   17 o   23.460   0.3675 -2.184000 0.7350000 
1 1 1   15    3   18 o   62.530   0.6167 0.6595000 1.233000 
1 1 1   15    3   19 o   45.900   0.4279 -1.475000 0.8559000 
1 1 1   15    3   20 o   20.960   0.3964 -0.8001000 0.7928000 
1 1 1   15    3   21 o   25.010   0.4338 1.135000 0.8676000 
1 1 1   15    3   22 o   25.140   0.4060 0.8939000 0.8121000 
1 1 1   15    3   23 o   70.660   0.7008 -1.323000 1.402000 
1 1 1   15    3   24 o   44.990   0.4994 -3.569000 0.9987000 
1 1 1   15    3   25 o   45.060   0.5062 -0.9248000 1.012000 
1 1 1   15    3   26 o   23.360   0.5642 -0.6486000 1.128000 
1 1 1   15    3   27 o   16.520   0.7590 -0.5248000 1.518000 
1 1 1   15    3   28 o   45.230   0.6764 -0.8512000 1.353000 
1 1 1   15    3   29 o   27.890   0.6232 -1.625000 1.246000 
1 1 1   15    3   30 o   11.530   1.2400 -1.080000 2.479000 
1 1 1   15    3   31 o   12.740   1.1140 2.495000 2.227000 
1 1 1   15    3   32 o   12.780   1.2270 -4.936000 2.454000 
1 1 1   15    3   33 o   26.110   0.9002 -1.767000 1.800000 
1 1 1   15    3   34 o   7.2810   1.7050 4.076000 3.410000 
1 1 1   15    3   35 o   10.370   1.6930 -2.435000 3.387000 
1 1 1   15    4    0 o   41.210   0.6819 -0.000000 0.000000 
1 1 1   15    4    1 o   84.230   0.8886 4.984000 1.777000 
1 1 1   15    4    2 o   51.520   0.5682 -5.033000 1.136000 
1 1 1   15    4    3 o  100.600   1.0560 -0.9670000E-01 2.111000 
1 1 1   15    4    4 o   38.440   0.4236 -0.4443000 0.8472000 
1 1 1   15    4    5 o   89.560   0.8638 -2.897000 1.728000 
1 1 1   15    4    6 o   25.740   0.3964 -9.219000 0.7927000 
1 1 1   15    4    7 o   36.360   0.3739 -9.585000 0.7479000 
1 1 1   15    4    8 o   14.660   0.4738 -1.879000 0.9477000 
1 1 1   15    4    9 o  116.300   0.9937 1.620000 1.987000 
1 1 1   15    4   10 o   11.350   0.6081 0.8682000 1.216000 
1 1 1   15    4   11 o   46.190   0.4299 5.135000 0.8599000 
1 1 1   15    4   12 o   36.160   0.3769 -4.944000 0.7538000 
1 1 1   15    4   13 o   33.270   0.3631 2.009000 0.7262000 
1 1 1   15    4   14 o   25.480   0.3946 1.856000 0.7892000 
1 1 1   15    4   15 f   22.410   0.4270 5.585000 0.8540000 
1 1 1   15    4   16 o   38.710   0.3908 4.410000 0.7816000 
1 1 1   15    4   17 o   27.720   0.3683 3.650000 0.7366000 
1 1 1   15    4   18 o   32.460   0.3735 -0.6013000 0.7469000 
1 1 1   15    4   19 o   12.800   0.6828 -1.924000 1.366000 
1 1 1   15    4   20 o   28.080   0.6645      ?      ? 
1 1 1   15    4   21 o   12.940   0.6549 2.653000 1.310000 
1 1 1   15    4   22 o   62.430   0.6291 -3.141000 1.258000 
1 1 1   15    4   23 o   25.090   0.4618 0.3761000 0.9236000 
1 1 1   15    4   24 o   27.670   0.5006 -2.499000 1.001000 
1 1 1   15    4   25 o   56.050   0.6434 1.036000 1.287000 
1 1 1   15    4   26 o   18.010   0.6333 0.2384000 1.267000 
1 1 1   15    4   27 o   36.980   0.4997 -0.7819000 0.9995000 
1 1 1   15    4   28 o   28.340   0.5537 -0.7433000 1.107000 
1 1 1   15    4   29 o   18.580   0.7146 1.400000 1.429000 
1 1 1   15    4   30 o   12.600   1.0480 -0.7861000 2.095000 
1 1 1   15    4   31 o   12.440   1.3770 -4.014000 2.754000 
1 1 1   15    4   32 o   12.340   1.2860 2.547000 2.572000 
1 1 1   15    4   33 o   6.2030   1.7140 -0.8149000 3.428000 
1 1 1   15    4   34 o   11.810   1.3640 -1.899000 2.728000 
1 1 1   15    4   35 o   5.0520   1.4840 3.006000 2.969000 
1 1 1   15    5    0 o   44.740   0.6005 -0.000000 0.000000 
1 1 1   15    5    1 o   60.230   0.6079 -8.430000 1.216000 
1 1 1   15    5    2 o  163.000   1.5490 4.077000 3.097000 
1 1 1   15    5    3 o   64.960   0.5728 -7.717000 1.146000 
1 1 1   15    5    4 o   41.650   0.4105 7.102000 0.8210000 
1 1 1   15    5    5 o  111.300   0.9520 0.8653000 1.904000 
1 1 1   15    5    6 o   83.350   0.7204 3.026000 1.441000 
1 1 1   15    5    7 o  111.100   0.9517 -1.933000 1.903000 
1 1 1   15    5    8 o   63.360   0.5605 -0.3839000 1.121000 
1 1 1   15    5    9 o   17.410   0.4910 3.915000 0.9820000 
1 1 1   15    5   10 o   99.140   0.8518 -2.371000 1.704000 
1 1 1   15    5   11 o   9.1010   0.9843 4.220000 1.969000 
1 1 1   15    5   12 o   29.420   0.3810 2.407000 0.7619000 
1 1 1   15    5   13 o   74.750   0.6516 1.883000 1.303000 
1 1 1   15    5   14 o   22.060   0.4163 1.276000 0.8325000 
1 1 1   15    5   15 o   44.080   0.4281 -0.1871000 0.8561000 
1 1 1   15    5   16 o   25.360   0.3916 -0.3204000 0.7831000 
1 1 1   15    5   17 o   35.540   0.3941 2.157000 0.7881000 
1 1 1   15    5   18 o   27.780   0.3989 1.763000 0.7979000 
1 1 1   15    5   19 o   58.940   0.5354 2.969000 1.071000 
1 1 1   15    5   20 o   34.110   0.5138 -3.518000 1.028000 
1 1 1   15    5   21 f   43.460   0.4455 2.710000 0.8911000 
1 1 1   15    5   22 f   39.320   0.4342 0.2823000 0.8685000 
1 1 1   15    5   23 f   28.830   0.4947 -0.4245000 0.9893000 
1 1 1   15    5   24 o   35.530   0.4908 -0.4248000 0.9816000 
1 1 1   15    5   25 o   13.710   0.8857 -4.097000 1.771000 
1 1 1   15    5   26 o   26.020   0.5622 -1.160000 1.124000 
1 1 1   15    5   27 o   15.830   0.9488 -3.142000 1.898000 
1 1 1   15    5   28 o   7.6530   1.4590 4.382000 2.918000 
1 1 1   15    5   29 o   11.740   1.2370 -0.1204000 2.473000 
1 1 1   15    5   30 o   26.020   0.6233 -1.525000 1.247000 
1 1 1   15    5   31 o   27.300   0.6099 -2.261000 1.220000 
1 1 1   15    5   32 o   9.0150   1.5660 -1.043000 3.133000 
1 1 1   15    5   33 o   9.1270   1.5240 -1.906000 3.049000 
1 1 1   15    5   34 o   8.9100   1.5670 -0.7166000 3.134000 
1 1 1   15    6    0 o   39.390   0.5012 -0.000000 0.000000 
1 1 1   15    6    1 o   53.610   0.4592 -2.889000 0.9183000 
1 1 1   15    6    2 o   81.000   0.6635 8.382000 1.327000 
1 1 1   15    6    3 o   12.700   0.7168 -6.515000 1.434000 
1 1 1   15    6    4 o   95.230   0.7660 -2.869000 1.532000 
1 1 1   15    6    5 o   29.270   0.3707 2.224000 0.7415000 
1 1 1   15    6    6 o   56.100   0.5122 6.064000 1.024000 
1 1 1   15    6    7 o   68.460   0.6040 -2.473000 1.208000 
1 1 1   15    6    8 o   29.250   0.4400 1.430000 0.8801000 
1 1 1   15    6    9 o   85.090   0.7376 -2.942000 1.475000 
1 1 1   15    6   10 o   12.210   0.7485 4.152000 1.497000 
1 1 1   15    6   11 o   24.890   0.4215 4.506000 0.8430000 
1 1 1   15    6   12 o   40.430   0.4752 3.203000 0.9503000 
1 1 1   15    6   13 o   55.530   0.5103 -4.037000 1.021000 
1 1 1   15    6   14 o   21.340   0.4856 -5.025000 0.9713000 
1 1 1   15    6   15 o   46.000   0.4540 -1.254000 0.9079000 
1 1 1   15    6   16 o   7.3980   1.1190 6.115000 2.238000 
1 1 1   15    6   17 o   27.060   0.4394 3.658000 0.8788000 
1 1 1   15    6   18 o   28.040   0.4399 -3.897000 0.8797000 
1 1 1   15    6   19 o   65.310   0.5879 -1.976000 1.176000 
1 1 1   15    6   20 o   28.240   0.5040 -0.3909000 1.008000 
1 1 1   15    6   21 o   43.930   0.5683 2.388000 1.137000 
1 1 1   15    6   22 o   15.430   0.7456 3.462000 1.491000 
1 1 1   15    6   23 o   26.180   0.5566 1.061000 1.113000 
1 1 1   15    6   24 o   7.5130   1.5930 1.026000 3.185000 
1 1 1   15    6   25 o   24.090   0.5664 -4.270000 1.133000 
1 1 1   15    6   26 o   54.470   0.9469      ?      ? 
1 1 1   15    6   27 o   7.3310   1.6570 -3.952000 3.315000 
1 1 1   15    6   28 o   14.500   1.1150 1.301000 2.230000 
1 1 1   15    6   29 o   10.580   1.4860 -4.462000 2.972000 
1 1 1   15    6   30 o   16.580   0.9659 -2.343000 1.932000 
1 1 1   15    6   31 o   6.7050   1.7370 -0.1302000 3.474000 
1 1 1   15    6   32 f   5.3710   1.6130 -0.3722000E-01 3.225000 
1 1 1   15    6   33 o   7.9130   1.6940 -1.446000 3.387000 
1 1 1   15    6   34 f   11.250   1.4180 3.814000 2.835000 
1 1 1   15    7    0 o   29.600   0.5129 -0.000000 0.000000 
1 1 1   15    7    1 o   55.110   0.4421 4.144000 0.8843000 
1 1 1   15    7    2 o   67.300   0.5195 -2.002000 1.039000 
1 1 1   15    7    3 f  114.300   0.8491 0.5746000 1.698000 
1 1 1   15    7    4 o  125.100   1.0030 2.929000 2.007000 
1 1 1   15    7    5 o   33.230   0.3890 2.663000 0.7781000 
1 1 1   15    7    6 o   43.560   0.4202 7.557000 0.8404000 
1 1 1   15    7    7 o   52.450   0.4632 -0.6771000 0.9263000 
1 1 1   15    7    8 o   24.380   0.4349 -2.352000 0.8697000 
1 1 1   15    7    9 o   34.150   0.4528 -3.285000 0.9056000 
1 1 1   15    7   10 o   28.990   0.4016 0.7422000 0.8033000 
1 1 1   15    7   11 o   32.040   0.4025 -1.480000 0.8049000 
1 1 1   15    7   12 o   21.950   0.5741 -1.582000 1.148000 
1 1 1   15    7   13 o   20.800   0.5312 -1.392000 1.062000 
1 1 1   15    7   14 o   6.8950   1.4030 0.3432000 2.806000 
1 1 1   15    7   15 o   22.590   0.7061      ?      ? 
1 1 1   15    7   16 o   40.290   0.4456 0.4783000 0.8913000 
1 1 1   15    7   17 o   42.000   0.4585 -1.573000 0.9169000 
1 1 1   15    7   18 o   12.660   0.9212 1.997000 1.842000 
1 1 1   15    7   19 o   21.170   0.5940 5.532000 1.188000 
1 1 1   15    7   20 o   38.310   0.4657 0.9876000 0.9314000 
1 1 1   15    7   21 o   28.610   0.5595 -2.702000 1.119000 
1 1 1   15    7   22 o   19.350   0.6687 2.325000 1.337000 
1 1 1   15    7   23 o   38.100   0.4830 -1.281000 0.9660000 
1 1 1   15    7   24 o   9.5370   1.4540 -5.998000 2.907000 
1 1 1   15    7   25 o   46.560   0.5147 0.4421000 1.029000 
1 1 1   15    7   26 o   23.760   0.7216 0.2458000 1.443000 
1 1 1   15    7   27 o   29.660   0.6956 0.6597000 1.391000 
1 1 1   15    7   28 o   19.660   0.8672 -0.2480000 1.734000 
1 1 1   15    7   29 o   8.5550   1.7860 -2.113000 3.571000 
1 1 1   15    7   30 o   9.6360   1.6970 -2.472000 3.393000 
1 1 1   15    7   31 o   15.690   1.1290 2.731000 2.258000 
1 1 1   15    7   32 o   8.5740   1.7730 0.5470000E-01 3.547000 
1 1 1   15    7   33 o   9.1440   1.6960 -0.8433000 3.392000 
1 1 1   15    7   34 o   6.9410   1.7060 0.5554000 3.412000 
1 1 1   15    8    0 o   95.380   1.0120 -0.000000 0.000000 
1 1 1   15    8    1 o   45.640   0.4000 -3.679000 0.7999000 
1 1 1   15    8    2 o   51.170   0.4267 1.776000 0.8534000 
1 1 1   15    8    3 o   23.740   0.4197 0.8103000 0.8395000 
1 1 1   15    8    4 o   76.140   0.5816 4.057000 1.163000 
1 1 1   15    8    5 o   55.840   0.4551 -1.822000 0.9102000 
1 1 1   15    8    6 o   57.640   0.5006 -3.120000 1.001000 
1 1 1   15    8    7 o   30.570   0.4463 0.1021000 0.8925000 
1 1 1   15    8    8 o   64.820   0.5511 2.150000 1.102000 
1 1 1   15    8    9 o   76.300   0.6315 1.421000 1.263000 
1 1 1   15    8   10 o   14.650   0.7158 -0.3593000 1.432000 
1 1 1   15    8   11 o   36.170   0.4229 -1.914000 0.8457000 
1 1 1   15    8   12 o   16.020   0.7002 2.362000 1.400000 
1 1 1   15    8   13 o   30.040   0.4406 -1.317000 0.8812000 
1 1 1   15    8   14 o   63.360   0.6221 4.220000 1.244000 
1 1 1   15    8   15 o   32.990   0.4323 2.162000 0.8646000 
1 1 1   15    8   16 o   26.810   0.4748 -3.053000 0.9496000 
1 1 1   15    8   17 o   32.410   0.4445 2.155000 0.8890000 
1 1 1   15    8   18 o   25.630   0.5087 -0.8340000 1.017000 
1 1 1   15    8   19 f   11.320   1.3610 -5.742000 2.721000 
1 1 1   15    8   20 o   41.280   0.4631 -0.4069000 0.9262000 
1 1 1   15    8   21 o   28.370   0.5182 -2.722000 1.036000 
1 1 1   15    8   22 o   50.310   0.4973 2.462000 0.9946000 
1 1 1   15    8   23 o   23.740   0.7175 0.5301000E-01 1.435000 
1 1 1   15    8   24 o   44.730   0.4932 -3.203000 0.9864000 
1 1 1   15    8   25 o   36.940   0.5464 -2.537000 1.093000 
1 1 1   15    8   26 o   10.760   1.4220 7.869000 2.844000 
1 1 1   15    8   27 o   12.330   1.2510 -0.8625000 2.502000 
1 1 1   15    8   28 o   6.0600   1.7270 -1.685000 3.455000 
1 1 1   15    8   29 o   24.310   0.7457 2.815000 1.491000 
1 1 1   15    8   30 o   14.750   1.1410 -2.204000 2.283000 
1 1 1   15    8   31 o   7.4210   1.3650 7.265000 2.730000 
1 1 1   15    8   32 o   20.420   0.8131 0.4734000 1.626000 
1 1 1   15    8   33 o   6.9480   1.7150 1.569000 3.431000 
1 1 1   15    9    0 o   82.360   0.8882 -0.000000 0.000000 
1 1 1   15    9    1 o   37.490   0.4388 5.100000 0.8776000 
1 1 1   15    9    2 o   24.440   0.4628 3.375000 0.9256000 
1 1 1   15    9    3 o   42.280   0.4071 0.2212000 0.8142000 
1 1 1   15    9    4 o   46.420   0.4243 -0.4120000 0.8486000 
1 1 1   15    9    5 o   37.660   0.3999 -0.4237000 0.7997000 
1 1 1   15    9    6 o   23.770   0.4733 -1.117000 0.9465000 
1 1 1   15    9    7 o   31.270   0.4122 -0.3569000 0.8245000 
1 1 1   15    9    8 o   32.890   0.4068 -4.928000 0.8136000 
1 1 1   15    9    9 o   25.020   0.5087 3.245000 1.017000 
1 1 1   15    9   10 o   20.150   0.5908 -1.201000 1.182000 
1 1 1   15    9   11 o   60.740   0.5323 0.5707000 1.065000 
1 1 1   15    9   12 o   29.620   0.4703 3.106000 0.9406000 
1 1 1   15    9   13 o   6.9470   1.5800 -0.4215000 3.161000 
1 1 1   15    9   14 o   50.490   0.4798 1.941000 0.9597000 
1 1 1   15    9   15 o   8.5320   1.3330 6.474000 2.666000 
1 1 1   15    9   16 f   29.960   0.4800 -1.526000 0.9600000 
1 1 1   15    9   17 o   49.060   0.4824 0.5393000E-01 0.9648000 
1 1 1   15    9   18 o   26.770   0.5423 2.978000 1.085000 
1 1 1   15    9   19 o   26.850   0.5615 -2.541000 1.123000 
1 1 1   15    9   20 o   14.870   0.9308 0.9027000 1.862000 
1 1 1   15    9   21 o   40.470   0.4939 1.713000 0.9878000 
1 1 1   15    9   22 o   17.540   0.8537 1.668000 1.707000 
1 1 1   15    9   23 o   17.380   0.8783 0.8562000 1.757000 
1 1 1   15    9   24 o   9.9940   1.7590 -2.140000 3.518000 
1 1 1   15    9   25 o   35.880   0.5574 -0.3223000 1.115000 
1 1 1   15    9   26 o   40.310   0.5446 -2.824000 1.089000 
1 1 1   15    9   27 o   20.480   0.8545 0.3042000 1.709000 
1 1 1   15    9   28 o   8.5220   1.9070 -0.6462000 3.813000 
1 1 1   15    9   29 o   11.660   1.4650 -1.244000 2.931000 
1 1 1   15    9   30 o   9.6080   1.5540 -7.820000 3.108000 
1 1 1   15    9   31 o   17.210   1.0050 1.366000 2.010000 
1 1 1   15    9   32 o   6.8060   1.6470 3.881000 3.293000 
1 1 1   15    9   33 o   7.1570   1.6440 -4.068000 3.289000 
1 1 1   15   10    0 o   26.650   0.6677 -0.000000 0.000000 
1 1 1   15   10    1 o   33.620   0.4237 3.281000 0.8474000 
1 1 1   15   10    2 o   47.850   0.4357 1.822000 0.8714000 
1 1 1   15   10    3 o   14.870   0.7656 -2.230000 1.531000 
1 1 1   15   10    4 o   13.910   0.8222 -2.430000 1.644000 
1 1 1   15   10    5 o   39.360   0.4220 3.640000 0.8440000 
1 1 1   15   10    6 o   7.7910   1.3930 -1.398000 2.785000 
1 1 1   15   10    7 o   35.320   0.4223 1.180000 0.8446000 
1 1 1   15   10    8 o   30.360   0.4405 2.492000 0.8810000 
1 1 1   15   10    9 o   20.180   0.5851 -2.445000 1.170000 
1 1 1   15   10   10 o   45.680   0.4349 2.041000 0.8698000 
1 1 1   15   10   11 o   6.5930   1.4290 -3.992000 2.857000 
1 1 1   15   10   12 o   15.360   0.8778 1.891000 1.756000 
1 1 1   15   10   13 o   45.360   0.4701 -1.678000 0.9402000 
1 1 1   15   10   14 o   24.150   0.6947 -2.445000 1.389000 
1 1 1   15   10   15 o   7.1820   1.4900 -4.964000 2.981000 
1 1 1   15   10   16 o   35.730   0.4906 2.153000 0.9812000 
1 1 1   15   10   17 o   28.140   0.5915 2.290000 1.183000 
1 1 1   15   10   18 f   6.7630   1.6680 -0.5515000 3.335000 
1 1 1   15   10   19 o   30.850   0.5530 4.004000 1.106000 
1 1 1   15   10   20 o   30.350   0.5750 1.935000 1.150000 
1 1 1   15   10   21 o   13.420   1.4810 -4.544000 2.963000 
1 1 1   15   10   22 o   9.4960   1.8440 0.2510000 3.688000 
1 1 1   15   10   23 o   13.140   1.3480 -3.560000 2.695000 
1 1 1   15   10   24 o   57.990   0.5706 0.6922000 1.141000 
1 1 1   15   10   25 o   19.610   0.9218 -0.8019000 1.844000 
1 1 1   15   10   26 o   20.650   0.8883 -1.085000 1.777000 
1 1 1   15   10   27 o   18.060   1.0040 0.1564000 2.008000 
1 1 1   15   10   28 o   17.400   1.0680 2.930000 2.135000 
1 1 1   15   10   29 o   10.240   1.7580 0.4233000 3.515000 
1 1 1   15   10   30 o   17.920   1.0010 -0.9482000 2.002000 
1 1 1   15   10   31 o   9.6650   1.6970 -3.970000 3.394000 
1 1 1   15   10   32 o   5.9040   1.7120 -0.9232000 3.424000 
1 1 1   15   11    0 o   29.570   0.6731 -0.000000 0.000000 
1 1 1   15   11    1 o   9.6850   1.2610 -1.503000 2.522000 
1 1 1   15   11    2 o   35.220   0.4411 -1.190000 0.8822000 
1 1 1   15   11    3 o   18.270   0.6868 -3.667000 1.374000 
1 1 1   15   11    4 f   31.960   0.4587 -3.301000 0.9175000 
1 1 1   15   11    5 o   25.190   0.5237 1.339000 1.047000 
1 1 1   15   11    6 o   55.200   0.4773 2.548000 0.9547000 
1 1 1   15   11    7 o   13.350   1.0290 -6.861000 2.057000 
1 1 1   15   11    8 o   15.230   0.8129 -0.1804000 1.626000 
1 1 1   15   11    9 o   19.620   0.6499 -2.484000 1.300000 
1 1 1   15   11   10 o   43.670   0.4457 0.5955000 0.8914000 
1 1 1   15   11   11 o   19.050   0.6885 4.072000 1.377000 
1 1 1   15   11   12 o   53.010   0.5112 -1.609000 1.022000 
1 1 1   15   11   13 o   12.350   1.3210 -0.5490000 2.643000 
1 1 1   15   11   14 o   33.040   0.5147 1.633000 1.029000 
1 1 1   15   11   15 o   30.310   0.5526 2.281000 1.105000 
1 1 1   15   11   16 o   25.840   0.6172 1.158000 1.234000 
1 1 1   15   11   17 o   34.450   0.5431 0.2040000 1.086000 
1 1 1   15   11   18 o   42.540   0.5228 -0.2405000 1.046000 
1 1 1   15   11   19 o   25.810   0.6707 -1.883000 1.341000 
1 1 1   15   11   20 o   11.990   1.4070 1.802000 2.814000 
1 1 1   15   11   21 o   16.460   1.2720 -0.4344000E-01 2.545000 
1 1 1   15   11   22 o   19.560   0.9109 1.302000 1.822000 
1 1 1   15   11   23 o   36.170   0.6003 -0.8000000 1.201000 
1 1 1   15   11   24 o   8.0730   1.8530 3.922000 3.706000 
1 1 1   15   11   25 o   10.580   1.8140 1.457000 3.628000 
1 1 1   15   11   26 o   16.290   1.2010 1.535000 2.402000 
1 1 1   15   11   27 o   14.050   1.4310 2.267000 2.862000 
1 1 1   15   11   28 o   5.8220   1.7840 1.013000 3.568000 
1 1 1   15   11   29 o   14.080   1.4200 4.588000 2.841000 
1 1 1   15   11   30 o   10.500   1.7320 -2.558000 3.464000 
1 1 1   15   11   31 o   14.000   1.2790 0.1348000 2.557000 
1 1 1   15   11   32 o   8.3260   3.0380      ?      ? 
1 1 1   15   12    0 o   46.330   0.6521 -0.000000 0.000000 
1 1 1   15   12    1 o   10.830   1.2700 -4.121000 2.539000 
1 1 1   15   12    2 o   17.350   0.7592 0.8484000 1.518000 
1 1 1   15   12    3 o   70.800   0.5678 -0.4120000 1.136000 
1 1 1   15   12    4 o   49.830   0.4718 -0.8409000 0.9436000 
1 1 1   15   12    5 o   26.690   0.5501 1.600000 1.100000 
1 1 1   15   12    6 o   21.980   0.6256 -0.6913000 1.251000 
1 1 1   15   12    7 o   54.460   0.4863 0.6902000 0.9725000 
1 1 1   15   12    8 o   38.730   0.4636 0.6933000 0.9271000 
1 1 1   15   12    9 o   24.770   0.5908 -1.203000 1.182000 
1 1 1   15   12   10 o   34.310   0.4957 6.774000 0.9914000 
1 1 1   15   12   11 o   59.950   0.5163 -4.891000 1.033000 
1 1 1   15   12   12 o   24.120   0.6546 -0.3845000 1.309000 
1 1 1   15   12   13 o   31.320   0.5078 1.812000 1.016000 
1 1 1   15   12   14 o   23.260   0.7034 0.8255000 1.407000 
1 1 1   15   12   15 o   33.690   0.5636 -1.569000 1.127000 
1 1 1   15   12   16 o   14.120   1.1590 1.391000 2.318000 
1 1 1   15   12   17 f   19.850   0.8549 4.196000 1.710000 
1 1 1   15   12   18 o   34.470   0.5822 1.044000 1.164000 
1 1 1   15   12   19 o   17.630   1.0000 3.267000 2.001000 
1 1 1   15   12   20 o   19.550   1.1430 -3.415000 2.286000 
1 1 1   15   12   21 o   24.240   0.8023 1.061000 1.605000 
1 1 1   15   12   22 o   25.900   0.7850 -0.8249000 1.570000 
1 1 1   15   12   23 o   14.320   1.4260 2.815000 2.853000 
1 1 1   15   12   24 o   9.7040   1.9560 2.589000 3.913000 
1 1 1   15   12   25 o   6.9120   1.9290 -0.5672000 3.858000 
1 1 1   15   12   26 o   6.8480   1.9420 0.9193000 3.884000 
1 1 1   15   12   27 o   7.9100   1.9950 0.9850000 3.989000 
1 1 1   15   12   28 o   9.0740   1.9540 2.258000 3.908000 
1 1 1   15   12   29 o   8.5400   1.8110 5.273000 3.622000 
1 1 1   15   12   30 o   11.660   1.6590 3.624000 3.317000 
1 1 1   15   12   31 o   8.3340   1.9000 -0.4513000 3.800000 
1 1 1   15   13    0 o   67.070   0.7826 -0.000000 0.000000 
1 1 1   15   13    1 o   36.210   0.4904 -1.449000 0.9809000 
1 1 1   15   13    2 o   21.780   0.6677 0.2778000 1.335000 
1 1 1   15   13    3 o   17.530   0.8183 -0.1335000 1.637000 
1 1 1   15   13    4 f   34.900   0.4969 0.4989000 0.9937000 
1 1 1   15   13    5 o   30.540   0.5292 -0.3306000 1.058000 
1 1 1   15   13    6 o   17.500   0.8591 2.618000 1.718000 
1 1 1   15   13    7 o   35.370   0.5491 -1.214000 1.098000 
1 1 1   15   13    8 o   56.350   0.5086 0.9491000 1.017000 
1 1 1   15   13    9 o   38.990   0.4940 -3.210000 0.9880000 
1 1 1   15   13   10 o   32.360   0.5295 -1.729000 1.059000 
1 1 1   15   13   11 o   41.840   0.4895 -1.258000 0.9791000 
1 1 1   15   13   12 o   29.460   0.5762 0.5257000E-01 1.152000 
1 1 1   15   13   13 o   43.090   0.5809 -0.1895000 1.162000 
1 1 1   15   13   14 o   46.900   0.5022 1.584000 1.004000 
1 1 1   15   13   15 o   14.900   1.1830 4.067000 2.367000 
1 1 1   15   13   16 o   15.460   1.1880 -1.850000 2.375000 
1 1 1   15   13   17 o   30.120   0.6644 -1.350000 1.329000 
1 1 1   15   13   18 o   18.010   1.0620 0.1463000 2.123000 
1 1 1   15   13   19 o   25.630   0.7856 -0.3898000 1.571000 
1 1 1   15   13   20 o   23.490   0.8546 1.121000 1.709000 
1 1 1   15   13   21 o   9.2450   2.0900 4.169000 4.179000 
1 1 1   15   13   22 o   13.650   1.5970 -2.032000 3.195000 
1 1 1   15   13   23 o   17.220   1.2600 -0.4725000 2.520000 
1 1 1   15   13   24 o   9.7420   1.9920 3.003000 3.984000 
1 1 1   15   13   25 o   16.370   1.3300 0.9704000E-01 2.661000 
1 1 1   15   13   26 o   7.0480   1.9490 2.735000 3.898000 
1 1 1   15   13   27 f   8.5260   1.9700 -2.935000 3.941000 
1 1 1   15   13   28 o   12.710   1.7550 3.182000 3.511000 
1 1 1   15   13   29 o   12.090   1.7110 -0.2982000 3.422000 
1 1 1   15   13   30 o   10.510   1.8260 -0.6222000 3.652000 
1 1 1   15   14    0 o   45.140   0.7062 -0.000000 0.000000 
1 1 1   15   14    1 o   48.830   0.5001 -0.7671000 1.000000 
1 1 1   15   14    2 o   17.140   0.9177 0.2341000 1.835000 
1 1 1   15   14    3 o   61.500   0.5396 -0.9546000 1.079000 
1 1 1   15   14    4 o   15.420   1.0210 1.695000 2.042000 
1 1 1   15   14    5 o   6.5410   1.6570 2.700000 3.314000 
1 1 1   15   14    6 o   51.600   0.5052 1.362000 1.010000 
1 1 1   15   14    7 o   16.180   1.1300 2.613000 2.260000 
1 1 1   15   14    8 o   24.100   0.6911 0.5158000 1.382000 
1 1 1   15   14    9 o   12.720   1.2970 1.837000 2.594000 
1 1 1   15   14   10 o   64.520   0.5568 -4.062000 1.114000 
1 1 1   15   14   11 o   32.580   0.6237 -0.7583000 1.247000 
1 1 1   15   14   12 o   17.090   0.9874 3.098000 1.975000 
1 1 1   15   14   13 o   35.700   0.5558 0.4285000E-01 1.112000 
1 1 1   15   14   14 o   11.740   1.4900 -0.5136000 2.980000 
1 1 1   15   14   15 o   11.150   1.5130 8.935000 3.027000 
1 1 1   15   14   16 o   10.050   1.7410 -3.014000 3.482000 
1 1 1   15   14   17 o   22.710   0.8887 2.493000 1.777000 
1 1 1   15   14   18 o   22.390   0.9298 4.265000 1.860000 
1 1 1   15   14   19 o   24.470   0.8764 -1.875000 1.753000 
1 1 1   15   14   20 o   11.200   1.8690 -1.154000 3.739000 
1 1 1   15   14   21 o   15.770   1.5080 -5.964000 3.017000 
1 1 1   15   14   22 o   25.390   0.9023 -1.876000 1.805000 
1 1 1   15   14   23 o   13.740   1.7440 -6.573000 3.489000 
1 1 1   15   14   24 o   6.8750   2.0310 -1.181000 4.063000 
1 1 1   15   14   25 o   14.300   1.5960 -1.226000 3.191000 
1 1 1   15   14   26 o   9.1940   2.0290 -1.226000 4.058000 
1 1 1   15   14   27 o   15.300   1.4220 -1.764000 2.844000 
1 1 1   15   14   28 o   6.1810   1.8490 1.104000 3.698000 
1 1 1   15   14   29 o   7.1110   1.9270 -0.5269000 3.853000 
1 1 1   15   15    0 o   22.400   1.0800 -0.000000 0.000000 
1 1 1   15   15    1 o   23.000   0.7638 -0.7420000 1.528000 
1 1 1   15   15    2 o   36.220   0.5561 1.771000 1.112000 
1 1 1   15   15    3 o   18.370   0.9457 1.042000 1.891000 
1 1 1   15   15    4 o   20.290   0.8518 2.592000 1.704000 
1 1 1   15   15    5 o   10.020   1.6840 -0.2212000 3.368000 
1 1 1   15   15    6 o   26.180   0.6909 -0.5781000 1.382000 
1 1 1   15   15    7 f   9.1760   1.6460 -5.269000 3.292000 
1 1 1   15   15    8 o   29.610   0.6984 1.844000 1.397000 
1 1 1   15   15    9 o   39.760   0.5521 -7.500000 1.104000 
1 1 1   15   15   10 o   25.750   0.7110 -2.058000 1.422000 
1 1 1   15   15   11 o   8.9780   1.5860 7.005000 3.172000 
1 1 1   15   15   12 o   29.900   0.6479 -0.2142000E-01 1.296000 
1 1 1   15   15   13 o   9.2570   1.8330 2.747000 3.665000 
1 1 1   15   15   14 o   36.390   0.6003 3.198000 1.201000 
1 1 1   15   15   15 o   18.690   1.0300 -0.6476000 2.059000 
1 1 1   15   15   16 o   8.3810   1.9350 1.065000 3.871000 
1 1 1   15   15   17 o   10.900   1.7850 -0.3330000 3.570000 
1 1 1   15   15   18 o   8.6410   2.0150 -3.621000 4.030000 
1 1 1   15   15   19 o   13.210   1.6830 2.937000 3.367000 
1 1 1   15   15   20 o   7.8070   2.0310 -2.230000 4.061000 
1 1 1   15   15   21 o   21.060   1.0980 0.6721000 2.196000 
1 1 1   15   15   22 o   8.7360   2.1040 -1.188000 4.207000 
1 1 1   15   15   23 o   16.300   1.4130 -0.1400000 2.826000 
1 1 1   15   15   24 o   13.090   1.7420 -0.6374000 3.483000 
1 1 1   15   15   25 o   10.180   1.9370 -3.802000 3.874000 
1 1 1   15   15   26 o   6.0560   1.8500 2.034000 3.700000 
1 1 1   15   15   27 o   6.4190   1.9130 0.4988000 3.827000 
1 1 1   15   15   28 o   7.1710   1.9550 -1.066000 3.911000 
1 1 1   15   16    0 o   26.150   0.9984 -0.000000 0.000000 
1 1 1   15   16    1 o   26.370   0.7235 1.916000 1.447000 
1 1 1   15   16    2 o   37.910   0.5671 -0.4259000 1.134000 
1 1 1   15   16    3 o   40.360   0.5614 -1.658000 1.123000 
1 1 1   15   16    4 o   36.120   0.5924 -0.7578000 1.185000 
1 1 1   15   16    5 o   22.510   1.0090 -2.926000 2.019000 
1 1 1   15   16    6 f   37.830   0.5801 -0.9920000 1.160000 
1 1 1   15   16    7 o   30.400   0.6616 0.5315000 1.323000 
1 1 1   15   16    8 o   20.810   0.9202 0.8122000 1.840000 
1 1 1   15   16    9 o   11.730   1.7180 7.341000 3.435000 
1 1 1   15   16   10 o   14.880   1.4510 2.014000 2.903000 
1 1 1   15   16   11 o   14.690   1.3680 3.422000 2.736000 
1 1 1   15   16   12 o   13.730   1.4630 -1.565000 2.925000 
1 1 1   15   16   13 o   6.4310   1.9170 -0.3901000 3.834000 
1 1 1   15   16   14 o   13.460   1.4950 0.4151000 2.990000 
1 1 1   15   16   15 o   15.140   1.3410 0.2501000 2.681000 
1 1 1   15   16   16 o   8.4640   2.0130 0.6418000 4.027000 
1 1 1   15   16   17 o   14.580   1.5060 -3.822000 3.013000 
1 1 1   15   16   18 o   10.200   1.9520 2.700000 3.904000 
1 1 1   15   16   19 o   7.8630   2.0490 -0.3374000 4.097000 
1 1 1   15   16   20 o   8.6570   2.1670 0.1806000 4.334000 
1 1 1   15   16   21 o   8.2750   2.0780 -2.278000 4.157000 
1 1 1   15   16   22 o   11.500   1.8920 -5.328000 3.784000 
1 1 1   15   16   23 o   8.3580   2.0510 -2.766000 4.103000 
1 1 1   15   16   24 o   15.420   1.5250 4.821000 3.051000 
1 1 1   15   16   25 o   10.200   2.0710 1.025000 4.143000 
1 1 1   15   16   26 o   5.2560   1.7150 -0.5011000 3.430000 
1 1 1   15   16   27 o   8.2160   1.9620 -3.205000 3.923000 
1 1 1   15   17    0 o   44.140   0.8003 -0.000000 0.000000 
1 1 1   15   17    1 o   36.930   0.6095 -1.871000 1.219000 
1 1 1   15   17    2 o   42.010   0.5759 0.2251000 1.152000 
1 1 1   15   17    3 o   12.940   1.5940 4.979000 3.188000 
1 1 1   15   17    4 o   27.910   0.7290 0.8963000 1.458000 
1 1 1   15   17    5 o   26.380   0.7684 -1.035000 1.537000 
1 1 1   15   17    6 o   25.160   0.8359 3.975000 1.672000 
1 1 1   15   17    7 o   10.290   1.9130 -0.4719000 3.826000 
1 1 1   15   17    8 o   33.420   0.6821 1.047000 1.364000 
1 1 1   15   17    9 o   12.780   1.6120 -2.076000 3.224000 
1 1 1   15   17   10 o   12.930   1.6660 3.873000 3.332000 
1 1 1   15   17   11 f   20.670   0.9967 0.7533000E-01 1.993000 
1 1 1   15   17   12 o   17.360   1.2240 -2.540000 2.448000 
1 1 1   15   17   13 o   17.940   1.1940 1.247000 2.388000 
1 1 1   15   17   14 o   9.9920   1.9790 -1.252000 3.957000 
1 1 1   15   17   15 o   22.750   0.9573 -0.1995000 1.915000 
1 1 1   15   17   16 o   10.950   1.8130 6.597000 3.627000 
1 1 1   15   17   17 o   11.130   1.8730 -5.118000 3.747000 
1 1 1   15   17   18 o   10.170   1.8930 -5.285000 3.786000 
1 1 1   15   17   19 o   12.670   1.7910 0.3489000 3.583000 
1 1 1   15   17   20 o   8.4600   2.0730 1.263000 4.147000 
1 1 1   15   17   21 o   10.140   2.0030 -4.445000 4.006000 
1 1 1   15   17   22 o   7.6830   2.0210 3.940000 4.042000 
1 1 1   15   17   23 o   11.330   1.9930 1.860000 3.986000 
1 1 1   15   17   24 o   9.0280   2.1140 -0.1673000 4.228000 
1 1 1   15   17   25 o   8.2850   2.0810 0.5241000 4.162000 
1 1 1   15   17   26 o   9.4220   3.9460      ?      ? 
1 1 1   15   18    0 o   34.560   0.9434 -0.000000 0.000000 
1 1 1   15   18    1 o   13.020   1.6500 0.8890000 3.299000 
1 1 1   15   18    2 o   21.710   0.9887 -0.6492000 1.977000 
1 1 1   15   18    3 o   44.500   0.5972 -1.203000 1.194000 
1 1 1   15   18    4 o   32.450   0.7059 0.7253000 1.412000 
1 1 1   15   18    5 o   22.780   0.9601 -2.956000 1.920000 
1 1 1   15   18    6 o   31.430   0.7368 -2.185000 1.474000 
1 1 1   15   18    7 f   16.500   1.3380 -0.9083000 2.675000 
1 1 1   15   18    8 o   12.550   1.7670 3.578000 3.534000 
1 1 1   15   18    9 o   16.140   1.3850 0.3785000 2.770000 
1 1 1   15   18   10 o   22.290   1.0100 -0.8685000 2.019000 
1 1 1   15   18   11 o   9.1360   1.9900 3.968000 3.981000 
1 1 1   15   18   12 o   10.930   1.7600 -8.170000 3.521000 
1 1 1   15   18   13 o   12.490   1.8410 -3.834000 3.682000 
1 1 1   15   18   14 o   10.220   2.0600 1.949000 4.120000 
1 1 1   15   18   15 o   13.090   1.7740 -7.030000 3.547000 
1 1 1   15   18   16 o   6.8690   1.9880 1.524000 3.976000 
1 1 1   15   18   17 o   12.160   1.8670 4.361000 3.733000 
1 1 1   15   18   18 o   18.390   1.2540 -0.1761000 2.508000 
1 1 1   15   18   19 o   7.6080   2.0370 1.878000 4.073000 
1 1 1   15   18   20 o   12.080   1.8270 5.458000 3.654000 
1 1 1   15   18   21 f   5.7040   1.7950 1.070000 3.590000 
1 1 1   15   18   22 o   8.6070   2.0580 4.481000 4.117000 
1 1 1   15   18   23 o   6.8240   1.9540 -2.190000 3.908000 
1 1 1   15   18   24 o   5.5340   1.7870 0.5350000 3.575000 
1 1 1   15   19    0 o   23.100   1.4040 -0.000000 0.000000 
1 1 1   15   19    1 o   9.0230   2.0900 -2.086000 4.181000 
1 1 1   15   19    2 f   19.120   1.2020 -0.3759000 2.404000 
1 1 1   15   19    3 o   16.970   1.4110 -4.428000 2.822000 
1 1 1   15   19    4 o   19.430   1.1890 3.584000 2.379000 
1 1 1   15   19    5 o   24.590   0.9556 -2.875000 1.911000 
1 1 1   15   19    6 o   9.8140   1.9930 5.087000 3.986000 
1 1 1   15   19    7 o   7.9670   2.0580 2.893000 4.116000 
1 1 1   15   19    8 o   8.0860   2.0510 -3.017000 4.102000 
1 1 1   15   19    9 o   8.4590   2.0400 -4.024000 4.080000 
1 1 1   15   19   10 f   5.5620   1.8100 0.1842000 3.620000 
1 1 1   15   19   11 o   7.9820   2.0730 -2.910000 4.145000 
1 1 1   15   19   12 o   20.020   1.1820 -0.4318000 2.364000 
1 1 1   15   19   13 o   15.210   1.5890 -2.695000 3.179000 
1 1 1   15   19   14 o   6.4490   1.9600 -0.1069000 3.920000 
1 1 1   15   19   15 o   12.610   1.8730 2.359000 3.746000 
1 1 1   15   19   16 o   7.6270   2.0710 0.7023000 4.141000 
1 1 1   15   19   17 o   9.2950   1.8860 5.942000 3.773000 
1 1 1   15   19   18 o   7.0160   2.0030 0.8315000 4.006000 
1 1 1   15   19   19 o   11.560   1.9190 -1.630000 3.837000 
1 1 1   15   19   20 o   6.7930   1.9810 -0.8704000 3.962000 
1 1 1   15   19   21 o   9.3940   2.0250 3.240000 4.049000 
1 1 1   15   19   22 o   6.8970   1.9560 -0.9405000 3.913000 
1 1 1   15   20    0 o   9.8250   3.1010 -0.000000 0.000000 
1 1 1   15   20    1 o   9.4950   2.1770 1.010000 4.354000 
1 1 1   15   20    2 o   8.8260   2.0710 -4.549000 4.143000 
1 1 1   15   20    3 o   7.9450   2.2440 -1.054000 4.489000 
1 1 1   15   20    4 o   11.010   2.1120 1.727000 4.225000 
1 1 1   15   20    5 o   13.880   1.8400 2.162000 3.681000 
1 1 1   15   20    6 o   23.480   1.0680 -0.2345000 2.135000 
1 1 1   15   20    7 o   12.010   1.9000 7.231000 3.799000 
1 1 1   15   20    8 o   9.0400   2.1520 -2.414000 4.303000 
1 1 1   15   20    9 o   13.630   1.8150 -2.685000 3.629000 
1 1 1   15   20   10 o   10.500   2.1440 1.168000 4.288000 
1 1 1   15   20   11 o   5.6820   1.8430 -0.5373000 3.685000 
1 1 1   15   20   12 o   6.6690   2.0040 -0.4410000 4.008000 
1 1 1   15   20   13 o   13.800   1.7480 -1.016000 3.497000 
1 1 1   15   20   14 o   6.2730   1.9240 0.5203000 3.847000 
1 1 1   15   20   15 o   9.9440   1.8780 6.806000 3.756000 
1 1 1   15   20   16 o   9.6530   1.9050 -6.073000 3.810000 
1 1 1   15   20   17 o   6.3130   1.9130 0.9192000 3.825000 
1 1 1   15   20   18 o   6.8640   1.9940 -0.2056000 3.987000 
1 1 1   15   20   19 o   5.8320   1.8320 -1.575000 3.664000 
1 1 1   15   20   20 o   6.4050   1.8750 2.408000 3.750000 
1 1 1   15   20   21 o   7.7930   2.0800 4.487000 4.160000 
1 1 1   15   21    0 o   6.3110   2.7720 -0.000000 0.000000 
1 1 1   15   21    1 o   9.9750   2.2080 -0.8927000 4.417000 
1 1 1   15   21    2 o   10.480   2.1450 3.126000 4.290000 
1 1 1   15   21    3 o   8.1410   2.1620 1.913000 4.324000 
1 1 1   15   21    4 o   8.6270   2.1150 -3.878000 4.231000 
1 1 1   15   21    5 o   15.110   1.7500 4.919000 3.500000 
1 1 1   15   21    6 o   11.940   2.0570 3.970000 4.114000 
1 1 1   15   21    7 o   17.650   1.8000 18.97000 3.599000 
1 1 1   15   21    8 o   13.220   1.9010 2.238000 3.801000 
1 1 1   15   21    9 o   7.8440   2.1510 0.3800000 4.301000 
1 1 1   15   21   10 o   7.7210   2.0980 2.354000 4.196000 
1 1 1   15   21   11 f   9.3220   1.9270 -6.713000 3.853000 
1 1 1   15   21   12 o   7.7000   2.0380 2.903000 4.075000 
1 1 1   15   21   13 o   7.2640   2.0590 0.4641000 4.118000 
1 1 1   15   21   14 f   8.0890   1.9440 -4.750000 3.887000 
1 1 1   15   21   15 o   8.6710   1.8300 -6.563000 3.661000 
1 1 1   15   21   16 o   7.5680   2.0520 1.681000 4.103000 
1 1 1   15   21   17 o   7.2160   2.0030 -1.532000 4.006000 
1 1 1   15   21   18 o   7.3370   2.0150 -0.9888000 4.030000 
1 1 1   15   22    0 o   8.5190   3.1330 -0.000000 0.000000 
1 1 1   15   22    1 o   11.880   2.1040 -3.026000 4.207000 
1 1 1   15   22    2 f   10.300   2.1720 -2.742000 4.344000 
1 1 1   15   22    3 o   11.060   2.1570 -2.132000 4.314000 
1 1 1   15   22    4 o   6.7230   2.0360 -0.8115000 4.072000 
1 1 1   15   22    5 o   9.0630   1.9520 -6.527000 3.905000 
1 1 1   15   22    6 o   6.6020   2.0120 -1.270000 4.023000 
1 1 1   15   22    7 o   7.6350   2.1140 2.039000 4.228000 
1 1 1   15   22    8 o   9.4470   1.9960 5.717000 3.992000 
1 1 1   15   22    9 o   15.580   1.5590 -0.5521000 3.118000 
1 1 1   15   22   10 o   8.6070   2.1560 -0.2950000 4.311000 
1 1 1   15   22   11 o   8.8500   2.1240 2.120000 4.247000 
1 1 1   15   22   12 o   8.6230   2.1170 0.5803000E-01 4.233000 
1 1 1   15   22   13 o   11.450   1.9690 2.578000 3.938000 
1 1 1   15   22   14 o   6.4250   1.9260 0.6650000E-01 3.851000 
1 1 1   15   22   15 o   7.0820   1.9870 -0.2233000 3.975000 
1 1 1   15   22   16 o   8.9300   1.9720 -3.688000 3.944000 
1 1 1   15   23    0 o   6.1200   2.7520 -0.000000 0.000000 
1 1 1   15   23    1 o   7.4380   2.1340 -1.816000 4.267000 
1 1 1   15   23    2 o   7.2810   2.0810 -2.541000 4.163000 
1 1 1   15   23    3 f   8.4000   2.1990 -1.236000 4.398000 
1 1 1   15   23    4 o   8.4730   2.1150 4.080000 4.230000 
1 1 1   15   23    5 o   8.4570   2.1080 3.857000 4.216000 
1 1 1   15   23    6 o   10.500   2.1580 -0.3791000 4.315000 
1 1 1   15   23    7 o   6.6050   1.8930 -4.077000 3.787000 
1 1 1   15   23    8 o   6.0320   1.8980 1.493000 3.796000 
1 1 1   15   23    9 o   9.3460   2.0960 -2.700000 4.192000 
1 1 1   15   23   10 o   10.960   1.8860 6.305000 3.772000 
1 1 1   15   23   11 o   9.1590   2.0860 0.1761000 4.172000 
1 1 1   15   23   12 o   6.8700   1.9580 -0.2733000 3.916000 
1 1 1   15   23   13 o   8.8190   1.8510 5.478000 3.703000 
1 1 1   15   24    0 o   5.0130   2.3990 -0.000000 0.000000 
1 1 1   15   24    1 o   8.5150   2.1960 0.1155000 4.392000 
1 1 1   15   24    2 o   8.1690   2.1730 -0.4724000 4.346000 
1 1 1   15   24    3 o   8.6180   2.1980 0.8018000 4.397000 
1 1 1   15   24    4 o   7.9940   2.1420 1.315000 4.283000 
1 1 1   15   24    5 o   9.2060   2.1040 -3.227000 4.209000 
1 1 1   15   24    6 o   6.2590   1.9310 0.2966000 3.861000 
1 1 1   15   24    7 o   10.380   2.0760 0.2047000 4.152000 
1 1 1   15   24    8 o   5.0880   1.6870 -1.030000 3.374000 
1 1 1   16    0    0 o   84.270   1.2480 -0.000000 0.000000 
1 1 1   16    0    1 o   9.7220   0.4738 -0.000000 0.000000 
1 1 1   16    0    2 f   59.410   0.6287 -0.000000 0.000000 
1 1 1   16    0    3 o   57.070   0.6053 -0.000000 0.000000 
1 1 1   16    0    4 o  109.000   1.3150 -0.000000 0.000000 
1 1 1   16    0    5 o  105.600   1.2740 -0.000000 0.000000 
1 1 1   16    0    6 o   6.1610   0.8659 -0.000000 0.000000 
1 1 1   16    0    7 o   52.140   0.6427 -0.000000 0.000000 
1 1 1   16    0    8 o   72.800   0.8838 -0.000000 0.000000 
1 1 1   16    0    9 o   62.880   0.7680 -0.000000 0.000000 
1 1 1   16    0   10 f   61.720   0.9276 -0.000000 0.000000 
1 1 1   16    0   11 o   90.550   1.3480 -0.000000 0.000000 
1 1 1   16    0   12 o   78.420   1.1760 -0.000000 0.000000 
1 1 1   16    0   13 o   46.450   0.7318 -0.000000 0.000000 
1 1 1   16    0   14 o   7.9390   0.7644 -0.000000 0.000000 
1 1 1   16    0   15 o   17.420   0.9826 -0.000000 0.000000 
1 1 1   16    0   16 o   14.310   1.2030 -0.000000 0.000000 
1 1 1   16    0   17 o   11.950   1.5530 -0.000000 0.000000 
1 1 1   16    0   18 o   26.720   0.8862 -0.000000 0.000000 
1 1 1   16    0   19 o   45.660   1.0770 -0.000000 0.000000 
1 1 1   16    0   20 o   6.6450   2.4710 -0.000000 0.000000 
1 1 1   16    0   21 o   15.750   1.5130 -0.000000 0.000000 
1 1 1   16    0   22 o   30.710   1.0480 -0.000000 0.000000 
1 1 1   16    0   23 o   11.240   2.2440 -0.000000 0.000000 
1 1 1   16    0   24 f   38.770   1.0960 -0.000000 0.000000 
1 1 1   16    0   25 o   29.240   1.2160 -0.000000 0.000000 
1 1 1   16    0   26 o   55.230   1.3110 -0.000000 0.000000 
1 1 1   16    0   27 o   25.770   1.4720 -0.000000 0.000000 
1 1 1   16    0   28 o   25.220   1.5510 -0.000000 0.000000 
1 1 1   16    0   29 o   23.750   1.6590 -0.000000 0.000000 
1 1 1   16    0   30 o   22.300   1.7700 -0.000000 0.000000 
1 1 1   16    0   31 o   19.890   2.0240 -0.000000 0.000000 
1 1 1   16    0   32 o   6.8480   3.0180 -0.000000 0.000000 
1 1 1   16    0   33 o   21.470   2.0270 -0.000000 0.000000 
1 1 1   16    0   34 o   11.760   3.2060 -0.000000 0.000000 
1 1 1   16    0   35 o   6.2300   2.8270 -0.000000 0.000000 
1 1 1   16    1    0 o  101.800   1.5040 -0.000000 0.000000 
1 1 1   16    1    1 o   82.170   0.8606 0.9075000 1.721000 
1 1 1   16    1    2 o  160.200   1.6690 -2.354000 3.337000 
1 1 1   16    1    3 o   63.960   0.6783 12.48000 1.357000 
1 1 1   16    1    4 o  112.600   1.1770 7.411000 2.353000 
1 1 1   16    1    5 o   50.800   0.5446 2.582000 1.089000 
1 1 1   16    1    6 o   10.870   0.5407 5.713000 1.081000 
1 1 1   16    1    7 o   41.840   0.4645 -5.747000 0.9290000 
1 1 1   16    1    8 o   65.780   0.6958 -3.555000 1.392000 
1 1 1   16    1    9 o  110.300   1.1540 6.204000 2.309000 
1 1 1   16    1   10 f  133.300   1.3930 4.757000 2.785000 
1 1 1   16    1   11 f   61.690   0.6574 -1.214000 1.315000 
1 1 1   16    1   12 o   46.470   0.5116 2.536000 1.023000 
1 1 1   16    1   13 o   36.800   0.3693 3.948000 0.7387000 
1 1 1   16    1   14 f   41.250   0.4059 -1.390000 0.8118000 
1 1 1   16    1   15 o   27.180   0.5144      ?      ? 
1 1 1   16    1   16 o   19.120   0.4219 2.926000 0.8437000 
1 1 1   16    1   17 o   9.3320   1.0680      ?      ? 
1 1 1   16    1   18 o   51.230   0.8037      ?      ? 
1 1 1   16    1   19 o   35.320   0.5622 -2.221000 1.124000 
1 1 1   16    1   20 o   33.120   0.9811      ?      ? 
1 1 1   16    1   21 o   19.170   0.6653 -2.917000 1.331000 
1 1 1   16    1   22 o   17.050   1.4750      ?      ? 
1 1 1   16    1   23 o   27.980   0.5854 0.1651000 1.171000 
1 1 1   16    1   24 o   50.510   0.6912 0.7451000 1.382000 
1 1 1   16    1   25 o   31.420   0.6706 1.745000 1.341000 
1 1 1   16    1   26 o   10.890   1.9310 -5.122000 3.862000 
1 1 1   16    1   27 o   30.790   0.9192 0.5397000 1.838000 
1 1 1   16    1   28 o   13.530   1.9240 -1.143000 3.848000 
1 1 1   16    1   29 o   7.2370   2.1520 0.4996000 4.304000 
1 1 1   16    1   30 o   12.980   1.9940 8.803000 3.988000 
1 1 1   16    1   31 o   17.530   1.6610 2.468000 3.321000 
1 1 1   16    1   32 o   28.700   1.0760 0.1609000E-01 2.152000 
1 1 1   16    1   33 o   12.330   2.2850 -1.482000 4.569000 
1 1 1   16    1   34 o   7.7810   2.1580 2.104000 4.316000 
1 1 1   16    1   35 o   7.0180   2.1080 0.9701000 4.216000 
1 1 1   16    2    0 o   23.520   0.4907 -0.000000 0.000000 
1 1 1   16    2    1 o   67.660   0.7144 -2.963000 1.429000 
1 1 1   16    2    2 o   60.220   0.6398 3.553000 1.280000 
1 1 1   16    2    3 o   20.770   0.3530 0.1824000 0.7061000 
1 1 1   16    2    4 o  130.300   1.3600 8.751000 2.720000 
1 1 1   16    2    5 o   63.690   0.6752 -1.123000 1.350000 
1 1 1   16    2    6 o   78.800   0.8299 8.567000 1.660000 
1 1 1   16    2    7 o   50.360   0.5468 2.031000 1.094000 
1 1 1   16    2    8 o   80.250   0.8466 11.99000 1.693000 
1 1 1   16    2    9 o   94.210   0.9876 1.761000 1.975000 
1 1 1   16    2   10 o   48.280   0.7497      ?      ? 
1 1 1   16    2   11 o   45.370   0.4596 1.427000 0.9192000 
1 1 1   16    2   12 o   84.520   0.8137 -1.337000 1.627000 
1 1 1   16    2   13 o   43.290   0.5584      ?      ? 
1 1 1   16    2   14 o   58.080   0.5740 -3.831000 1.148000 
1 1 1   16    2   15 o   30.560   0.3696 1.140000 0.7393000 
1 1 1   16    2   16 o   41.160   0.4327 1.900000 0.8653000 
1 1 1   16    2   17 o   8.9060   0.6962 -0.9746000 1.392000 
1 1 1   16    2   18 o   12.050   0.5910 2.753000 1.182000 
1 1 1   16    2   19 o   10.810   1.1340      ?      ? 
1 1 1   16    2   20 o   9.8860   1.3730 2.882000 2.745000 
1 1 1   16    2   21 o   37.510   1.0510      ?      ? 
1 1 1   16    2   22 o   49.070   0.7132 1.145000 1.426000 
1 1 1   16    2   24 o   46.820   0.7883      ?      ? 
1 1 1   16    2   25 o   42.890   0.7713      ?      ? 
1 1 1   16    2   27 o   28.350   0.7743 -1.420000 1.549000 
1 1 1   16    2   28 o   34.490   0.7344 -0.2604000 1.469000 
1 1 1   16    2   29 o   15.900   1.5570 6.327000 3.114000 
1 1 1   16    2   30 o   26.740   0.8382 -0.2755000 1.676000 
1 1 1   16    2   31 o   32.650   0.7800 0.7112000 1.560000 
1 1 1   16    2   32 o   9.0680   1.7480 1.751000 3.496000 
1 1 1   16    2   33 o   16.400   1.3620 2.102000 2.724000 
1 1 1   16    2   34 o   6.2500   1.8520 -3.723000 3.704000 
1 1 1   16    2   35 o   7.6150   1.7890 -1.743000 3.578000 
1 1 1   16    3    0 o   38.810   0.6355 -0.000000 0.000000 
1 1 1   16    3    1 o   89.580   0.9405 4.579000 1.881000 
1 1 1   16    3    2 f   76.060   0.8030 -4.921000 1.606000 
1 1 1   16    3    3 o   23.420   0.3855 1.373000 0.7710000 
1 1 1   16    3    4 o   81.620   0.8593 0.4408000 1.719000 
1 1 1   16    3    5 o   49.340   0.5431 0.3081000 1.086000 
1 1 1   16    3    6 o  103.000   1.0790 -2.414000 2.158000 
1 1 1   16    3    7 o   36.630   0.4432 -5.189000 0.8864000 
1 1 1   16    3    8 o   59.500   0.5844 -0.1862000 1.169000 
1 1 1   16    3    9 o   15.870   0.4568 0.4480000 0.9136000 
1 1 1   16    3   10 o   21.800   0.4505 7.802000 0.9011000 
1 1 1   16    3   11 o   30.620   0.3829 4.462000 0.7658000 
1 1 1   16    3   12 o   43.670   0.4586 -3.209000 0.9172000 
1 1 1   16    3   13 o   62.340   0.6142 -3.028000 1.228000 
1 1 1   16    3   14 o   50.660   0.5118 -0.4267000 1.024000 
1 1 1   16    3   15 o   14.010   0.5462 -0.5646000 1.092000 
1 1 1   16    3   16 o   13.530   0.4475 3.845000 0.8950000 
1 1 1   16    3   17 o   42.120   0.3986 -3.275000 0.7972000 
1 1 1   16    3   18 o   17.120   0.4310 -0.3254000E-01 0.8619000 
1 1 1   16    3   19 o   24.880   0.3828 -0.4698000 0.7656000 
1 1 1   16    3   20 o   55.570   0.5011 0.1119000 1.002000 
1 1 1   16    3   21 o   60.460   0.6033 2.257000 1.207000 
1 1 1   16    3   22 o   29.830   0.7195      ?      ? 
1 1 1   16    3   23 o   38.280   0.6939      ?      ? 
1 1 1   16    3   24 o   23.670   0.4251 0.9151000 0.8502000 
1 1 1   16    3   25 o   25.370   0.4802 -1.109000 0.9604000 
1 1 1   16    3   26 o   15.960   0.7943      ?      ? 
1 1 1   16    3   27 o   12.860   0.8742 4.522000 1.748000 
1 1 1   16    3   28 o   19.030   0.8059      ?      ? 
1 1 1   16    3   29 o   18.030   0.8293      ?      ? 
1 1 1   16    3   30 o   11.820   1.8450      ?      ? 
1 1 1   16    3   31 o   18.600   1.2110      ?      ? 
1 1 1   16    3   32 o   15.240   1.4290      ?      ? 
1 1 1   16    3   33 o   10.480   1.8110 4.262000 3.622000 
1 1 1   16    3   34 o   8.0990   2.0150 -3.194000 4.030000 
1 1 1   16    3   35 o   11.860   1.4760 -6.345000 2.952000 
1 1 1   16    4    0 o   17.280   0.6946 -0.000000 0.000000 
1 1 1   16    4    1 o   53.890   0.5901 2.250000 1.180000 
1 1 1   16    4    2 o   98.940   1.0380 -1.471000 2.077000 
1 1 1   16    4    3 o   47.310   0.5321 4.748000 1.064000 
1 1 1   16    4    4 o  140.200   1.4640 7.346000 2.929000 
1 1 1   16    4    5 f   18.000   0.4637 5.126000 0.9273000 
1 1 1   16    4    6 o   61.520   0.6099 -3.671000 1.220000 
1 1 1   16    4    7 o   29.180   0.3937 0.3916000 0.7874000 
1 1 1   16    4    8 o   44.690   0.4755 -4.929000 0.9510000 
1 1 1   16    4    9 o   28.960   0.3488 0.5763000 0.6976000 
1 1 1   16    4   10 o   64.370   0.5651 -4.265000 1.130000 
1 1 1   16    4   11 o   74.280   0.6444 0.4620000 1.289000 
1 1 1   16    4   12 o   21.410   0.4330 -3.339000 0.8659000 
1 1 1   16    4   13 o   13.900   0.5250 3.029000 1.050000 
1 1 1   16    4   14 o   12.700   0.6143 -5.379000 1.229000 
1 1 1   16    4   15 o   34.910   0.3744 0.7859000 0.7488000 
1 1 1   16    4   16 o   24.870   0.3740 -3.110000 0.7480000 
1 1 1   16    4   17 o   17.520   0.4939 -1.305000 0.9878000 
1 1 1   16    4   18 o   29.330   0.4081 1.503000 0.8162000 
1 1 1   16    4   19 o   44.800   0.4330 2.724000 0.8661000 
1 1 1   16    4   20 o   62.880   0.5598 -2.050000 1.120000 
1 1 1   16    4   21 o   19.280   0.4652 3.579000 0.9304000 
1 1 1   16    4   22 o   26.680   0.5205 1.037000 1.041000 
1 1 1   16    4   23 o   27.170   0.4905 -0.3720000 0.9810000 
1 1 1   16    4   24 o   35.750   0.4610 -1.373000 0.9219000 
1 1 1   16    4   25 o   17.010   0.6344 0.6540000 1.269000 
1 1 1   16    4   26 o   11.920   0.9101 -2.540000 1.820000 
1 1 1   16    4   27 o   14.710   0.7854 0.3731000 1.571000 
1 1 1   16    4   28 o   14.760   0.9318 -3.319000 1.864000 
1 1 1   16    4   29 o   15.470   0.8003 -1.496000 1.601000 
1 1 1   16    4   30 o   8.6170   1.4230 -2.650000 2.845000 
1 1 1   16    4   31 o   10.950   1.4030 0.4091000 2.806000 
1 1 1   16    4   32 o   15.280   1.0450 -3.196000 2.089000 
1 1 1   16    4   33 o   6.3880   1.6920 0.7553000 3.384000 
1 1 1   16    4   34 o   7.2010   1.5490 -3.695000 3.098000 
1 1 1   16    4   35 o   7.0160   1.4000 6.212000 2.800000 
1 1 1   16    5    0 o   41.750   0.7116 -0.000000 0.000000 
1 1 1   16    5    1 o   65.920   0.6520 -3.459000 1.304000 
1 1 1   16    5    2 o   67.100   0.6590 0.2243000 1.318000 
1 1 1   16    5    3 o   87.320   0.8404 1.461000 1.681000 
1 1 1   16    5    4 o   98.320   0.9458 -1.726000 1.892000 
1 1 1   16    5    5 o   29.950   0.3677 2.536000 0.7353000 
1 1 1   16    5    6 o  111.600   0.9556 5.903000 1.911000 
1 1 1   16    5    7 o   84.020   0.7258 3.387000 1.452000 
1 1 1   16    5    8 o   47.790   0.4476 -3.294000 0.8953000 
1 1 1   16    5    9 o   28.530   0.3849 -5.829000 0.7698000 
1 1 1   16    5   10 o   22.860   0.4091 2.053000 0.8181000 
1 1 1   16    5   11 o   87.590   0.7560 -1.140000 1.512000 
1 1 1   16    5   12 o   41.840   0.4654 -0.6402000 0.9308000 
1 1 1   16    5   13 o   23.170   0.4119 -1.574000 0.8237000 
1 1 1   16    5   14 o   28.310   0.3891 -0.5580000 0.7782000 
1 1 1   16    5   15 o   15.490   0.5494 -3.010000 1.099000 
1 1 1   16    5   16 o   23.740   0.4518 1.755000 0.9036000 
1 1 1   16    5   17 o   51.840   0.4804 -3.945000 0.9608000 
1 1 1   16    5   18 o   31.600   0.3945 1.607000 0.7890000 
1 1 1   16    5   19 o   55.600   0.5124 -1.002000 1.025000 
1 1 1   16    5   20 o   47.750   0.4660 -2.522000 0.9320000 
1 1 1   16    5   21 o   48.990   0.5351 5.192000 1.070000 
1 1 1   16    5   22 o   35.210   0.4246 3.663000 0.8493000 
1 1 1   16    5   23 o   38.110   0.4353 -0.2565000 0.8706000 
1 1 1   16    5   24 o   17.040   0.7079 -2.421000 1.416000 
1 1 1   16    5   25 o   19.250   0.6557 2.482000 1.311000 
1 1 1   16    5   26 o   24.010   0.5816 0.4067000 1.163000 
1 1 1   16    5   27 o   30.520   0.5351 -1.615000 1.070000 
1 1 1   16    5   28 o   14.510   0.9484 0.1229000 1.897000 
1 1 1   16    5   29 o   6.0330   2.3680      ?      ? 
1 1 1   16    5   30 o   24.190   0.6408 1.118000 1.282000 
1 1 1   16    5   31 o   21.050   0.7123 0.2653000 1.425000 
1 1 1   16    5   32 o   8.0010   1.6040 -2.211000 3.208000 
1 1 1   16    5   33 o   7.0670   1.5080 3.652000 3.016000 
1 1 1   16    5   34 o   7.8770   1.5610 -3.039000 3.122000 
1 1 1   16    6    0 o   3.8130   1.6520 -0.000000 0.000000 
1 1 1   16    6    1 f   58.650   0.4979 4.896000 0.9958000 
1 1 1   16    6    2 o   33.970   0.4845 5.534000 0.9691000 
1 1 1   16    6    3 o   59.810   0.5017 -0.6883000 1.003000 
1 1 1   16    6    4 o   52.880   0.4882 0.1749000 0.9764000 
1 1 1   16    6    5 o   67.380   0.5958 1.229000 1.192000 
1 1 1   16    6    6 o   40.420   0.4174 3.533000 0.8347000 
1 1 1   16    6    7 f   20.760   0.4620 1.315000 0.9240000 
1 1 1   16    6    8 o   34.130   0.4032 -8.322000 0.8064000 
1 1 1   16    6    9 o   51.380   0.4803 -1.720000 0.9606000 
1 1 1   16    6   10 o   27.190   0.4115 0.4657000E-01 0.8230000 
1 1 1   16    6   11 o   25.250   0.4208 3.714000 0.8416000 
1 1 1   16    6   12 o   36.210   0.4075 1.419000 0.8151000 
1 1 1   16    6   13 o   41.860   0.4300 0.3944000 0.8600000 
1 1 1   16    6   14 o   22.320   0.4595 3.750000 0.9191000 
1 1 1   16    6   15 f   33.210   0.4158 1.115000 0.8317000 
1 1 1   16    6   16 o   23.800   0.4878 0.9857000 0.9755000 
1 1 1   16    6   17 o   24.130   0.4584 0.1716000E-01 0.9167000 
1 1 1   16    6   18 o   20.740   0.7245      ?      ? 
1 1 1   16    6   19 f   32.070   0.4327 -1.169000 0.8654000 
1 1 1   16    6   20 o   47.190   0.4733 0.4726000 0.9466000 
1 1 1   16    6   21 o   61.620   0.5647 -0.9583000E-01 1.129000 
1 1 1   16    6   22 o   31.090   0.5090 0.3006000 1.018000 
1 1 1   16    6   23 f   41.680   0.4686 0.4886000 0.9372000 
1 1 1   16    6   24 o   36.750   0.4679 -0.2864000 0.9358000 
1 1 1   16    6   25 o   8.7570   1.4150 -0.8298000E-01 2.831000 
1 1 1   16    6   26 o   10.260   1.4240 2.535000 2.848000 
1 1 1   16    6   27 o   16.670   0.9144 -0.2264000 1.829000 
1 1 1   16    6   28 o   20.220   0.7931 1.170000 1.586000 
1 1 1   16    6   29 o   21.520   0.7503 -0.1901000 1.501000 
1 1 1   16    6   30 o   10.640   1.4960 -4.095000 2.993000 
1 1 1   16    6   31 o   18.410   0.8813 3.066000 1.763000 
1 1 1   16    6   32 o   17.800   0.8695 -2.256000 1.739000 
1 1 1   16    6   33 o   7.0340   1.5550 3.552000 3.109000 
1 1 1   16    6   34 o   17.790   0.8486 -1.828000 1.697000 
1 1 1   16    7    0 o   4.3700   1.7040 -0.000000 0.000000 
1 1 1   16    7    1 o   67.810   0.5221 1.677000 1.044000 
1 1 1   16    7    2 o   71.110   0.5439 0.3045000 1.088000 
1 1 1   16    7    3 o   65.190   0.5454 -3.586000 1.091000 
1 1 1   16    7    4 o   49.920   0.4467 0.3207000 0.8935000 
1 1 1   16    7    5 o   45.720   0.4241 -1.739000 0.8482000 
1 1 1   16    7    6 o   54.500   0.4764 2.604000 0.9529000 
1 1 1   16    7    7 o   43.030   0.4164 0.3324000 0.8329000 
1 1 1   16    7    8 o   54.190   0.4727 -1.940000 0.9455000 
1 1 1   16    7    9 o   85.070   0.6922 -2.055000 1.384000 
1 1 1   16    7   10 o   33.500   0.4162 3.160000 0.8323000 
1 1 1   16    7   11 o   55.350   0.5156 -2.978000 1.031000 
1 1 1   16    7   12 o   63.610   0.5748 5.818000 1.150000 
1 1 1   16    7   13 o   28.010   0.4487 2.170000 0.8975000 
1 1 1   16    7   14 o   31.580   0.4381 -0.6127000 0.8762000 
1 1 1   16    7   15 o   53.560   0.5101 1.727000 1.020000 
1 1 1   16    7   16 o   6.2120   1.4490 -0.4751000 2.897000 
1 1 1   16    7   17 o   29.760   0.5236 0.6297000 1.047000 
1 1 1   16    7   18 o   22.690   0.5415 -1.225000 1.083000 
1 1 1   16    7   19 o   24.050   0.6023 -0.2524000 1.205000 
1 1 1   16    7   20 o   15.020   0.9515 -1.122000 1.903000 
1 1 1   16    7   21 o   33.890   0.4716 -2.141000 0.9432000 
1 1 1   16    7   22 o   25.000   0.6112 3.796000 1.222000 
1 1 1   16    7   23 o   29.930   0.5110 -1.638000 1.022000 
1 1 1   16    7   24 o   37.520   0.4922 -0.5576000E-01 0.9845000 
1 1 1   16    7   25 f   30.820   0.5983 4.758000 1.197000 
1 1 1   16    7   26 o   42.910   0.5138 1.306000 1.028000 
1 1 1   16    7   27 o   45.090   0.5933 -0.1769000 1.187000 
1 1 1   16    7   28 o   19.240   0.8882 0.1488000 1.776000 
1 1 1   16    7   29 o   13.430   1.2770 -0.2615000 2.553000 
1 1 1   16    7   30 f   18.780   0.9283 -0.3106000 1.857000 
1 1 1   16    7   31 o   29.110   0.6590 -2.131000 1.318000 
1 1 1   16    7   32 o   11.740   1.4580 1.453000 2.917000 
1 1 1   16    7   33 o   5.0600   1.5790 -0.5787000 3.157000 
1 1 1   16    7   34 o   7.2270   1.6780 1.833000 3.356000 
1 1 1   16    8    0 o   3.7880   1.6680 -0.000000 0.000000 
1 1 1   16    8    1 f   28.490   0.3840 0.3158000 0.7679000 
1 1 1   16    8    2 o   53.300   0.4375 2.149000 0.8750000 
1 1 1   16    8    3 f   76.910   0.5869 0.5129000 1.174000 
1 1 1   16    8    4 o   46.510   0.4073 0.6478000E-01 0.8147000 
1 1 1   16    8    5 o   60.220   0.5213 3.259000 1.043000 
1 1 1   16    8    6 o   70.600   0.5882 -2.875000 1.176000 
1 1 1   16    8    7 o   18.640   0.5869 -2.389000 1.174000 
1 1 1   16    8    8 f   35.980   0.4204 -5.565000 0.8408000 
1 1 1   16    8    9 o   31.130   0.4238 0.4496000 0.8477000 
1 1 1   16    8   10 o   30.900   0.4329 3.563000 0.8659000 
1 1 1   16    8   11 o   38.570   0.4552 -1.111000 0.9103000 
1 1 1   16    8   12 o   14.990   0.7539 4.748000 1.508000 
1 1 1   16    8   13 o   24.450   0.4907 -1.745000 0.9813000 
1 1 1   16    8   14 f   8.7250   1.2480 -4.017000 2.495000 
1 1 1   16    8   15 o   15.550   0.7007 -1.322000 1.401000 
1 1 1   16    8   16 o   21.520   0.5475 2.869000 1.095000 
1 1 1   16    8   17 o   12.440   0.9128 1.150000 1.826000 
1 1 1   16    8   18 o   32.520   0.4557 1.160000 0.9114000 
1 1 1   16    8   19 o   44.250   0.5003 2.042000 1.001000 
1 1 1   16    8   20 o   26.550   0.5294 2.244000 1.059000 
1 1 1   16    8   21 o   20.360   0.7645 -0.6071000E-01 1.529000 
1 1 1   16    8   22 o   41.220   0.5046 -2.227000 1.009000 
1 1 1   16    8   23 o   35.840   0.5233 3.020000 1.047000 
1 1 1   16    8   24 o   27.090   0.6024 -0.4300000 1.205000 
1 1 1   16    8   25 o   11.570   1.5490 -2.115000 3.099000 
1 1 1   16    8   26 o   27.070   0.6336 -2.946000 1.267000 
1 1 1   16    8   27 f   13.210   1.1710 -1.061000 2.341000 
1 1 1   16    8   28 o   7.1540   1.7360 -1.296000 3.472000 
1 1 1   16    8   29 o   8.3300   1.7620 1.800000 3.525000 
1 1 1   16    8   30 o   23.440   0.7442 -2.775000 1.488000 
1 1 1   16    8   31 o   14.230   1.1510 0.1739000E-01 2.302000 
1 1 1   16    8   32 o   16.820   0.9697 -2.057000 1.939000 
1 1 1   16    8   33 o   6.9080   1.5500 4.524000 3.101000 
1 1 1   16    9    0 o   11.570   1.2470 -0.000000 0.000000 
1 1 1   16    9    1 o   29.230   0.4244 -3.875000 0.8488000 
1 1 1   16    9    2 o   44.290   0.4136 -3.874000 0.8272000 
1 1 1   16    9    3 o   31.050   0.4133 -2.134000 0.8267000 
1 1 1   16    9    4 o   23.950   0.4762 -5.030000 0.9525000 
1 1 1   16    9    5 o   49.210   0.4330 -2.719000 0.8660000 
1 1 1   16    9    6 o   27.320   0.4344 -3.266000 0.8687000 
1 1 1   16    9    7 o   14.940   0.7058 2.828000 1.412000 
1 1 1   16    9    8 o   20.720   0.6253 1.310000 1.251000 
1 1 1   16    9    9 o   20.960   0.5585 0.9669000 1.117000 
1 1 1   16    9   10 o   18.970   0.6179 4.443000 1.236000 
1 1 1   16    9   11 o   33.240   0.4503 -4.513000 0.9006000 
1 1 1   16    9   12 o   31.200   0.5280 0.3115000 1.056000 
1 1 1   16    9   13 f   46.180   0.5303 5.649000 1.061000 
1 1 1   16    9   14 o   34.890   0.4523 -1.444000 0.9046000 
1 1 1   16    9   15 o   25.710   0.6105 -3.723000 1.221000 
1 1 1   16    9   16 o   10.140   1.3900 2.106000 2.780000 
1 1 1   16    9   17 o   21.080   0.6253 0.3807000E-01 1.251000 
1 1 1   16    9   18 o   18.570   0.8142 3.074000 1.628000 
1 1 1   16    9   19 o   14.040   1.2880 -6.479000 2.575000 
1 1 1   16    9   20 o   17.630   0.7945 0.8663000 1.589000 
1 1 1   16    9   21 o   21.150   0.7890 -0.6640000 1.578000 
1 1 1   16    9   22 o   24.360   0.6460 2.686000 1.292000 
1 1 1   16    9   23 o   7.1170   1.6930 -2.145000 3.385000 
1 1 1   16    9   24 o   26.360   0.6478 -2.227000 1.296000 
1 1 1   16    9   25 o   31.700   0.5910 -1.317000 1.182000 
1 1 1   16    9   26 o   11.360   1.5360 -2.455000 3.072000 
1 1 1   16    9   27 o   19.580   0.8673 -2.363000 1.735000 
1 1 1   16    9   28 o   27.330   0.6635 -0.3855000 1.327000 
1 1 1   16    9   29 o   13.520   1.2710 -2.544000 2.542000 
1 1 1   16    9   30 o   9.3800   1.7070 4.344000 3.413000 
1 1 1   16    9   31 o   20.030   0.8748 2.155000 1.750000 
1 1 1   16    9   32 o   7.1890   1.7980 0.5330000 3.597000 
1 1 1   16    9   33 o   8.6350   1.6640 -3.856000 3.328000 
1 1 1   16   10    0 f   6.9570   2.0500 -0.000000 0.000000 
1 1 1   16   10    1 o   18.980   0.6206 -5.756000 1.241000 
1 1 1   16   10    2 o   16.990   0.6612 -0.3863000 1.322000 
1 1 1   16   10    3 o   17.100   0.6633 1.315000 1.327000 
1 1 1   16   10    4 o   16.750   0.7087 -5.615000 1.417000 
1 1 1   16   10    5 o   41.150   0.4186 -2.638000 0.8372000 
1 1 1   16   10    6 o   50.670   0.4508 -2.236000 0.9016000 
1 1 1   16   10    7 o   22.260   0.5453 4.152000 1.091000 
1 1 1   16   10    8 o   62.270   0.5065 2.738000 1.013000 
1 1 1   16   10    9 o   18.290   0.6351 0.6754000 1.270000 
1 1 1   16   10   10 o   46.200   0.4734 2.407000 0.9469000 
1 1 1   16   10   11 o   43.270   0.4662 4.403000 0.9324000 
1 1 1   16   10   12 o   30.830   0.5741 -1.421000 1.148000 
1 1 1   16   10   13 o   26.460   0.5327 1.005000 1.065000 
1 1 1   16   10   14 o   30.120   0.5036 1.238000 1.007000 
1 1 1   16   10   15 o   35.270   0.4812 2.686000 0.9624000 
1 1 1   16   10   16 o   14.090   0.9619 1.776000 1.924000 
1 1 1   16   10   17 o   27.720   0.5608 1.110000 1.122000 
1 1 1   16   10   18 o   13.950   1.0530 3.991000 2.107000 
1 1 1   16   10   19 o   38.440   0.5097 1.646000 1.019000 
1 1 1   16   10   20 o   15.500   0.9944 1.860000 1.989000 
1 1 1   16   10   21 o   33.300   0.5517 -0.3659000 1.103000 
1 1 1   16   10   22 o   29.670   0.6083 -2.003000 1.217000 
1 1 1   16   10   23 o   25.410   0.6951 -0.3722000 1.390000 
1 1 1   16   10   24 o   27.900   0.7855 0.3120000 1.571000 
1 1 1   16   10   25 o   7.1370   1.7210 4.469000 3.443000 
1 1 1   16   10   26 o   18.620   0.9739 1.984000 1.948000 
1 1 1   16   10   27 o   11.790   1.5710 -0.6699000 3.142000 
1 1 1   16   10   28 o   29.760   0.6711 -0.9918000 1.342000 
1 1 1   16   10   29 o   11.760   1.5780 0.7342000 3.156000 
1 1 1   16   10   30 o   11.140   1.5740 -0.8600000E-01 3.148000 
1 1 1   16   10   31 o   17.700   0.9428 -2.500000 1.886000 
1 1 1   16   10   32 o   10.770   1.5740 -1.663000 3.148000 
1 1 1   16   11    0 o   20.610   0.8381 -0.000000 0.000000 
1 1 1   16   11    1 o   35.260   0.4418 2.869000 0.8836000 
1 1 1   16   11    2 o   22.440   0.5774 3.682000 1.155000 
1 1 1   16   11    3 o   23.850   0.5414 -3.699000 1.083000 
1 1 1   16   11    4 o   6.9950   1.5170 -1.233000 3.035000 
1 1 1   16   11    5 o   19.530   0.6579 -1.010000 1.316000 
1 1 1   16   11    6 o   47.920   0.4513 0.1548000 0.9025000 
1 1 1   16   11    7 o   6.7420   1.4390 -3.385000 2.878000 
1 1 1   16   11    8 o   34.490   0.4538 -1.746000 0.9076000 
1 1 1   16   11    9 o   9.5070   1.3250 1.258000 2.651000 
1 1 1   16   11   10 o   13.080   0.9710 0.7604000 1.942000 
1 1 1   16   11   11 o   13.420   1.0560 -1.323000 2.111000 
1 1 1   16   11   12 o   54.060   0.5177 -0.2691000 1.035000 
1 1 1   16   11   13 o   57.090   0.5298 1.272000 1.060000 
1 1 1   16   11   14 o   28.300   0.5637 3.590000 1.127000 
1 1 1   16   11   15 o   40.830   0.5030 -5.593000 1.006000 
1 1 1   16   11   16 o   22.680   0.8164 1.877000 1.633000 
1 1 1   16   11   17 o   23.940   0.6706 1.939000 1.341000 
1 1 1   16   11   18 o   23.200   0.8222 1.650000 1.644000 
1 1 1   16   11   19 o   21.880   0.7628 2.509000 1.526000 
1 1 1   16   11   20 o   11.120   1.5090 4.609000 3.017000 
1 1 1   16   11   21 o   45.560   0.5405 -0.9053000 1.081000 
1 1 1   16   11   22 o   18.630   0.9661 2.942000 1.932000 
1 1 1   16   11   23 o   25.270   0.8803 1.030000 1.761000 
1 1 1   16   11   24 o   9.5980   1.8190 4.447000 3.638000 
1 1 1   16   11   25 o   13.950   1.4870 -4.017000 2.975000 
1 1 1   16   11   26 o   27.620   0.7405 -0.1159000 1.481000 
1 1 1   16   11   27 o   22.750   0.8942 -2.562000 1.788000 
1 1 1   16   11   28 o   10.140   1.8360 3.645000 3.673000 
1 1 1   16   11   29 o   15.200   1.4300 4.519000 2.859000 
1 1 1   16   11   30 o   14.410   1.3150 4.210000 2.629000 
1 1 1   16   11   31 o   13.720   1.3450 -2.831000 2.690000 
1 1 1   16   12    0 o   4.8110   2.0660 -0.000000 0.000000 
1 1 1   16   12    1 o   56.750   0.4953 4.570000 0.9907000 
1 1 1   16   12    2 f   18.420   0.7058 1.519000 1.412000 
1 1 1   16   12    3 o   31.800   0.4885 -3.610000 0.9770000 
1 1 1   16   12    4 o   13.450   0.9822 -0.1426000E-01 1.964000 
1 1 1   16   12    5 o   54.870   0.4860 0.9940000 0.9720000 
1 1 1   16   12    6 o   48.360   0.4666 -4.102000 0.9333000 
1 1 1   16   12    7 o   28.680   0.5393 3.121000 1.079000 
1 1 1   16   12    8 o   15.160   0.8936 -0.8964000 1.787000 
1 1 1   16   12    9 o   13.560   1.0350 -1.664000 2.069000 
1 1 1   16   12   10 o   18.390   0.7615 -0.7570000 1.523000 
1 1 1   16   12   11 o   24.310   0.7107 0.7670000 1.421000 
1 1 1   16   12   12 o   30.200   0.5218 0.3532000 1.044000 
1 1 1   16   12   13 o   13.400   1.3160 3.002000 2.631000 
1 1 1   16   12   14 o   16.120   0.9814 -1.320000 1.963000 
1 1 1   16   12   15 o   17.150   1.1540 -2.451000 2.309000 
1 1 1   16   12   16 o   28.190   0.6245 -0.5267000 1.249000 
1 1 1   16   12   17 o   20.780   0.8242 0.8663000 1.648000 
1 1 1   16   12   18 o   26.370   0.7078 -2.773000 1.416000 
1 1 1   16   12   19 o   9.0110   1.7100 5.329000 3.420000 
1 1 1   16   12   20 o   41.320   0.5712 -0.9627000 1.142000 
1 1 1   16   12   21 o   31.200   0.7080 2.355000 1.416000 
1 1 1   16   12   22 o   6.5060   1.9140 -0.6215000 3.828000 
1 1 1   16   12   23 o   16.820   1.2280 4.848000 2.456000 
1 1 1   16   12   24 o   20.160   1.0160 -0.8738000E-02 2.033000 
1 1 1   16   12   25 o   7.4460   1.9070 3.548000 3.815000 
1 1 1   16   12   26 o   6.9480   1.9330 1.780000 3.866000 
1 1 1   16   12   27 o   17.990   1.1500 -2.446000 2.300000 
1 1 1   16   12   28 o   15.380   1.3600 -3.478000 2.720000 
1 1 1   16   12   29 o   9.3210   1.8170 4.855000 3.633000 
1 1 1   16   12   30 o   6.8220   1.8460 -1.843000 3.692000 
1 1 1   16   12   31 o   8.7480   1.8840 -0.6515000 3.768000 
1 1 1   16   13    0 o   52.570   0.6926 -0.000000 0.000000 
1 1 1   16   13    1 o   31.660   0.5186 -5.549000 1.037000 
1 1 1   16   13    2 o   13.350   1.1210 4.986000 2.242000 
1 1 1   16   13    3 o   14.570   0.9872 -1.700000 1.974000 
1 1 1   16   13    4 o   10.280   1.4080 2.752000 2.816000 
1 1 1   16   13    5 o   53.450   0.4968 -3.796000 0.9936000 
1 1 1   16   13    6 o   49.240   0.4890 0.5132000 0.9781000 
1 1 1   16   13    7 o   49.540   0.4900 2.180000 0.9800000 
1 1 1   16   13    8 o   28.890   0.5565 -1.982000 1.113000 
1 1 1   16   13    9 o   18.120   0.8756 0.7918000 1.751000 
1 1 1   16   13   10 o   17.520   0.9523 -0.4660000 1.905000 
1 1 1   16   13   11 o   19.910   0.8283 -3.954000 1.657000 
1 1 1   16   13   12 o   31.360   0.6037 -2.596000 1.207000 
1 1 1   16   13   13 o   50.020   0.5003 -1.412000 1.001000 
1 1 1   16   13   14 o   37.150   0.5190 -0.4209000 1.038000 
1 1 1   16   13   15 o   35.880   0.5757 -0.7717000 1.151000 
1 1 1   16   13   16 o   8.4450   1.8060 3.766000 3.612000 
1 1 1   16   13   17 o   11.410   1.6520 2.584000 3.303000 
1 1 1   16   13   18 o   25.950   0.7588 3.999000 1.518000 
1 1 1   16   13   19 o   11.410   1.7050 -1.385000 3.410000 
1 1 1   16   13   20 o   27.540   0.7625 1.833000 1.525000 
1 1 1   16   13   21 o   28.500   0.7556 -3.132000 1.511000 
1 1 1   16   13   22 o   10.380   1.9440 0.3701000 3.888000 
1 1 1   16   13   23 o   14.030   1.5510 1.617000 3.102000 
1 1 1   16   13   24 o   15.470   1.4790 -4.796000 2.958000 
1 1 1   16   13   25 o   15.730   1.3850 2.654000 2.770000 
1 1 1   16   13   26 o   8.8240   1.9200 5.025000 3.840000 
1 1 1   16   13   27 o   5.7030   1.7070 -3.469000 3.414000 
1 1 1   16   13   28 o   8.9750   2.0040 0.1498000 4.007000 
1 1 1   16   13   29 o   8.6570   1.9730 2.190000 3.946000 
1 1 1   16   13   30 o   11.090   1.7490 2.693000 3.498000 
1 1 1   16   14    0 o   5.1000   2.2280 -0.000000 0.000000 
1 1 1   16   14    1 o   27.810   0.6105 4.423000 1.221000 
1 1 1   16   14    2 o   33.450   0.5343 -1.014000 1.069000 
1 1 1   16   14    3 o   6.9820   1.8060 0.6720000 3.611000 
1 1 1   16   14    4 o   35.850   0.5254 0.7808000 1.051000 
1 1 1   16   14    5 o   18.340   0.8873 4.171000 1.775000 
1 1 1   16   14    6 o   20.240   0.8227 -4.536000 1.645000 
1 1 1   16   14    7 o   35.340   0.5402 0.9281000 1.080000 
1 1 1   16   14    8 o   41.590   0.5107 0.9135000 1.021000 
1 1 1   16   14    9 o   20.400   0.8138 -3.225000 1.628000 
1 1 1   16   14   10 o   28.870   0.6576 -0.6725000 1.315000 
1 1 1   16   14   11 o   50.340   0.5126 -0.2889000 1.025000 
1 1 1   16   14   12 o   27.780   0.6335 -0.2549000 1.267000 
1 1 1   16   14   13 o   19.270   0.8797 -0.5020000E-01 1.759000 
1 1 1   16   14   14 o   27.940   0.6547 2.008000 1.309000 
1 1 1   16   14   15 o   35.940   0.5777 -1.813000 1.155000 
1 1 1   16   14   16 o   14.040   1.4090 2.568000 2.818000 
1 1 1   16   14   17 o   25.460   0.8065 0.4546000 1.613000 
1 1 1   16   14   18 o   29.550   0.7361 0.9678000E-02 1.472000 
1 1 1   16   14   19 o   11.940   1.7480 -3.856000 3.496000 
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1 1 1   16   14   21 o   8.2530   2.0650 1.702000 4.131000 
1 1 1   16   14   22 o   7.7750   2.0310 2.439000 4.062000 
1 1 1   16   14   23 o   6.6010   1.9610 -0.2186000 3.923000 
1 1 1   16   14   24 o   10.380   1.9950 -3.337000 3.991000 
1 1 1   16   14   25 o   7.9810   2.0780 0.4054000 4.157000 
1 1 1   16   14   26 o   5.3490   1.7190 -1.309000 3.438000 
1 1 1   16   14   27 o   8.9060   1.8390 -5.340000 3.678000 
1 1 1   16   14   28 o   7.6590   1.9870 0.9206000 3.973000 
1 1 1   16   14   29 o   7.7240   1.9080 -2.285000 3.816000 
1 1 1   16   15    0 o   6.8520   2.5440 -0.000000 0.000000 
1 1 1   16   15    1 o   8.3870   1.7100 4.178000 3.419000 
1 1 1   16   15    2 o   28.740   0.6390 -0.3413000 1.278000 
1 1 1   16   15    3 o   10.540   1.7450 3.862000 3.490000 
1 1 1   16   15    4 o   20.580   0.8340 -0.1438000 1.668000 
1 1 1   16   15    5 o   5.6640   1.6980 -0.4650000 3.397000 
1 1 1   16   15    6 o   26.240   0.6916 -1.756000 1.383000 
1 1 1   16   15    7 o   14.790   1.2270 -4.083000 2.453000 
1 1 1   16   15    8 o   33.850   0.5946 0.1706000E-01 1.189000 
1 1 1   16   15    9 o   16.350   1.0860 0.2955000 2.172000 
1 1 1   16   15   10 o   41.170   0.5427 -1.622000 1.085000 
1 1 1   16   15   11 o   30.560   0.6320 1.524000 1.264000 
1 1 1   16   15   12 o   24.440   0.7700 -3.319000 1.540000 
1 1 1   16   15   13 o   28.130   0.6936 0.4480000 1.387000 
1 1 1   16   15   14 o   39.230   0.5722 -0.3260000 1.144000 
1 1 1   16   15   15 o   28.760   0.6972 0.6525000 1.394000 
1 1 1   16   15   16 o   16.780   1.1620 -1.673000 2.323000 
1 1 1   16   15   17 o   9.3650   1.8120 4.445000 3.624000 
1 1 1   16   15   18 o   29.210   0.7805 -0.8745000 1.561000 
1 1 1   16   15   19 f   13.790   1.6420 1.661000 3.285000 
1 1 1   16   15   20 o   15.840   1.4530 1.817000 2.906000 
1 1 1   16   15   21 o   13.820   1.6970 2.047000 3.394000 
1 1 1   16   15   22 o   17.060   1.3340 1.346000 2.667000 
1 1 1   16   15   23 o   20.260   1.1210 1.903000 2.243000 
1 1 1   16   15   24 o   8.7750   2.0810 1.584000 4.162000 
1 1 1   16   15   25 o   12.310   1.7870 4.503000 3.574000 
1 1 1   16   15   26 o   8.3290   1.9030 5.306000 3.806000 
1 1 1   16   15   27 o   9.5060   2.0470 -0.1302000E-01 4.095000 
1 1 1   16   15   28 o   6.2960   1.8830 1.328000 3.765000 
1 1 1   16   16    0 o   28.040   0.9641 -0.000000 0.000000 
1 1 1   16   16    1 o   31.260   0.6460 2.544000 1.292000 
1 1 1   16   16    2 o   9.3590   1.8070 -2.411000 3.614000 
1 1 1   16   16    3 o   8.3630   1.8350 3.923000 3.671000 
1 1 1   16   16    4 f   15.660   1.1830 0.1078000 2.366000 
1 1 1   16   16    5 o   12.540   1.5300 4.836000 3.061000 
1 1 1   16   16    6 o   27.840   0.6911 0.2510000 1.382000 
1 1 1   16   16    7 o   13.930   1.4940 0.6112000 2.988000 
1 1 1   16   16    8 o   11.120   1.7450 0.2249000 3.491000 
1 1 1   16   16    9 o   9.0940   1.8530 -2.305000 3.707000 
1 1 1   16   16   10 o   18.220   1.0530 1.326000 2.107000 
1 1 1   16   16   11 o   29.660   0.7000 -1.797000 1.400000 
1 1 1   16   16   12 o   15.320   1.3120 -1.673000 2.624000 
1 1 1   16   16   13 o   31.650   0.6743 0.9333000 1.349000 
1 1 1   16   16   14 o   40.130   0.5916 2.066000 1.183000 
1 1 1   16   16   15 o   7.8270   1.9690 -1.387000 3.938000 
1 1 1   16   16   16 f   21.020   1.0070 1.935000 2.014000 
1 1 1   16   16   17 o   20.660   1.0200 -0.8158000E-01 2.040000 
1 1 1   16   16   18 o   9.4180   1.9940 2.517000 3.988000 
1 1 1   16   16   19 o   6.9910   2.0280 0.4617000 4.056000 
1 1 1   16   16   20 o   18.630   1.2960 2.860000 2.591000 
1 1 1   16   16   21 o   10.840   2.0820 0.4708000 4.164000 
1 1 1   16   16   22 o   6.9060   2.0110 1.119000 4.022000 
1 1 1   16   16   23 o   12.940   1.7920 1.654000 3.584000 
1 1 1   16   16   24 o   10.350   2.0370 2.314000 4.075000 
1 1 1   16   16   25 o   10.490   1.9830 4.662000 3.966000 
1 1 1   16   16   26 o   8.8040   2.0440 2.992000 4.088000 
1 1 1   16   16   27 o   6.4010   1.8860 -1.552000 3.773000 
1 1 1   16   17    0 o   19.850   1.6100 -0.000000 0.000000 
1 1 1   16   17    1 o   12.200   1.7630 -5.301000 3.527000 
1 1 1   16   17    2 o   31.060   0.6850 2.331000 1.370000 
1 1 1   16   17    3 o   13.950   1.4500 3.840000 2.901000 
1 1 1   16   17    4 o   30.970   0.6921 -1.762000 1.384000 
1 1 1   16   17    5 o   22.650   0.9304 -6.886000 1.861000 
1 1 1   16   17    6 o   10.920   1.8040 -1.739000 3.607000 
1 1 1   16   17    7 o   19.870   1.0330 -2.780000 2.065000 
1 1 1   16   17    8 o   30.380   0.7163 -3.514000 1.433000 
1 1 1   16   17    9 o   18.980   1.0930 -1.885000 2.186000 
1 1 1   16   17   10 f   29.230   0.7487 0.3494000 1.497000 
1 1 1   16   17   11 o   11.600   1.7600 5.494000 3.519000 
1 1 1   16   17   12 o   27.580   0.7903 -2.968000 1.581000 
1 1 1   16   17   13 o   10.780   1.7580 -7.289000 3.515000 
1 1 1   16   17   14 o   10.960   1.9070 -0.9926000 3.814000 
1 1 1   16   17   15 o   25.320   0.8668 -0.6745000 1.734000 
1 1 1   16   17   16 o   12.900   1.7400 3.285000 3.481000 
1 1 1   16   17   17 o   6.3060   1.8530 3.035000 3.706000 
1 1 1   16   17   18 o   9.0310   1.9870 4.162000 3.975000 
1 1 1   16   17   19 o   23.560   0.9615 1.687000 1.923000 
1 1 1   16   17   20 o   10.430   2.1400 0.7862000E-01 4.281000 
1 1 1   16   17   21 o   9.0900   2.1620 1.319000 4.324000 
1 1 1   16   17   22 o   13.230   1.7800 2.376000 3.560000 
1 1 1   16   17   23 o   14.920   1.5580 0.2759000 3.115000 
1 1 1   16   17   24 o   7.7100   2.0310 3.452000 4.061000 
1 1 1   16   17   25 o   5.7050   1.8170 0.7912000 3.633000 
1 1 1   16   18    0 o   31.730   1.0400 -0.000000 0.000000 
1 1 1   16   18    1 o   24.410   0.9038 3.625000 1.808000 
1 1 1   16   18    2 o   16.250   1.3280 -2.071000 2.657000 
1 1 1   16   18    3 o   28.140   0.8844 1.589000 1.769000 
1 1 1   16   18    4 o   21.390   1.0000 1.217000 2.000000 
1 1 1   16   18    5 o   13.890   1.5760 1.769000 3.152000 
1 1 1   16   18    6 o   13.760   1.6090 -1.541000 3.219000 
1 1 1   16   18    7 o   11.820   1.8300 5.099000 3.661000 
1 1 1   16   18    8 o   23.220   0.9629 2.602000 1.926000 
1 1 1   16   18    9 o   10.830   1.9820 -2.027000 3.964000 
1 1 1   16   18   10 o   24.420   0.9471 -1.086000 1.894000 
1 1 1   16   18   11 o   30.170   0.7718 -0.3596000 1.544000 
1 1 1   16   18   12 o   14.820   1.5370 1.483000 3.074000 
1 1 1   16   18   13 f   19.410   1.1720 -1.180000 2.344000 
1 1 1   16   18   14 o   10.680   2.0440 -0.1791000 4.088000 
1 1 1   16   18   15 f   8.5950   2.1070 0.3432000 4.213000 
1 1 1   16   18   16 o   9.7170   2.0920 -0.7381000 4.185000 
1 1 1   16   18   17 o   6.4860   1.9520 -0.7406000 3.904000 
1 1 1   16   18   18 o   8.1560   2.0940 0.8504000 4.187000 
1 1 1   16   18   19 o   10.190   2.0600 1.236000 4.120000 
1 1 1   16   18   20 o   7.7830   2.0660 0.8895000 4.132000 
1 1 1   16   18   21 o   9.9300   2.0730 3.849000 4.147000 
1 1 1   16   18   22 o   12.620   1.8850 -1.033000 3.769000 
1 1 1   16   18   23 o   7.4550   1.9870 4.563000 3.973000 
1 1 1   16   18   24 o   6.0530   1.8180 -2.316000 3.636000 
1 1 1   16   19    0 o   13.200   2.5610 -0.000000 0.000000 
1 1 1   16   19    1 o   21.640   1.0700 -1.024000 2.141000 
1 1 1   16   19    2 o   11.800   1.9370 -0.9618000 3.875000 
1 1 1   16   19    3 o   7.6110   2.0630 -1.212000 4.127000 
1 1 1   16   19    4 o   9.5820   2.0940 -1.362000 4.189000 
1 1 1   16   19    5 o   10.910   2.0350 -0.3805000 4.070000 
1 1 1   16   19    6 o   11.200   1.9670 4.926000 3.934000 
1 1 1   16   19    7 o   12.240   1.8900 -4.414000 3.779000 
1 1 1   16   19    8 o   10.820   2.0610 -0.5433000E-01 4.121000 
1 1 1   16   19    9 o   18.590   1.2890 -0.2248000 2.578000 
1 1 1   16   19   10 o   12.110   1.9710 1.693000 3.942000 
1 1 1   16   19   11 o   14.920   1.7760 3.038000 3.552000 
1 1 1   16   19   12 f   31.310   0.8360 -0.2930000E-01 1.672000 
1 1 1   16   19   13 o   9.5360   2.1280 -1.698000 4.256000 
1 1 1   16   19   14 o   11.370   1.8160 -8.158000 3.632000 
1 1 1   16   19   15 f   11.840   1.7820 8.952000 3.563000 
1 1 1   16   19   16 o   14.480   1.6250 2.464000 3.250000 
1 1 1   16   19   17 o   15.620   1.4590 -1.860000 2.918000 
1 1 1   16   19   18 o   7.7510   2.0600 -0.8994000 4.119000 
1 1 1   16   19   19 f   7.9410   2.0640 -1.324000 4.129000 
1 1 1   16   19   20 o   9.6970   2.0740 1.362000 4.148000 
1 1 1   16   19   21 o   15.030   1.4930 -0.4303000 2.986000 
1 1 1   16   19   22 o   7.7990   2.0950 1.284000 4.191000 
1 1 1   16   20    0 o   9.5710   3.0850 -0.000000 0.000000 
1 1 1   16   20    1 o   12.340   1.9640 3.835000 3.927000 
1 1 1   16   20    2 f   6.8400   2.0450 0.6063000 4.089000 
1 1 1   16   20    3 o   11.040   2.0700 4.266000 4.140000 
1 1 1   16   20    4 o   7.3370   2.0940 -1.511000 4.187000 
1 1 1   16   20    5 o   7.3660   2.0520 2.976000 4.105000 
1 1 1   16   20    6 o   21.810   1.1610 -1.044000 2.322000 
1 1 1   16   20    7 o   13.600   1.8710 0.4074000 3.743000 
1 1 1   16   20    8 o   10.620   2.1060 -2.630000 4.212000 
1 1 1   16   20    9 o   16.880   1.4510 -1.795000 2.903000 
1 1 1   16   20   10 o   18.820   1.3020 -0.4935000 2.605000 
1 1 1   16   20   11 o   7.7060   2.1150 1.256000 4.231000 
1 1 1   16   20   12 o   8.1930   2.0880 -3.101000 4.176000 
1 1 1   16   20   13 o   12.100   1.8970 5.712000 3.795000 
1 1 1   16   20   14 o   12.870   1.8140 1.211000 3.629000 
1 1 1   16   20   15 o   14.260   1.6690 -1.317000 3.339000 
1 1 1   16   20   16 o   7.9250   1.9120 5.029000 3.823000 
1 1 1   16   20   17 o   4.7130   1.5990 -0.3694000 3.197000 
1 1 1   16   20   18 o   6.9220   1.9990 -0.9425000 3.998000 
1 1 1   16   20   19 o   4.8330   1.6270 -0.6895000 3.255000 
1 1 1   16   20   20 o   6.3550   1.8800 1.819000 3.760000 
1 1 1   16   20   21 o   9.9330   4.0910      ?      ? 
1 1 1   16   21    0 o   6.5950   2.8390 -0.000000 0.000000 
1 1 1   16   21    1 o   11.820   2.0160 -4.388000 4.032000 
1 1 1   16   21    2 o   18.080   1.4030 -0.4250000 2.806000 
1 1 1   16   21    3 o   15.720   1.7090 -5.327000 3.417000 
1 1 1   16   21    4 o   8.7520   2.1850 2.330000 4.369000 
1 1 1   16   21    5 o   9.8680   2.1140 4.210000 4.227000 
1 1 1   16   21    6 o   9.7340   2.0550 -5.794000 4.111000 
1 1 1   16   21    7 o   9.8490   2.2980 -0.2666000 4.596000 
1 1 1   16   21    8 o   11.610   2.0900 0.9515000 4.179000 
1 1 1   16   21    9 o   7.2070   1.9930 4.019000 3.986000 
1 1 1   16   21   10 o   8.8110   2.1760 1.587000 4.352000 
1 1 1   16   21   11 o   10.800   2.0410 -3.875000 4.083000 
1 1 1   16   21   12 o   8.5800   2.1190 3.328000 4.237000 
1 1 1   16   21   13 o   9.5360   2.1370 -0.2717000 4.275000 
1 1 1   16   21   14 f   8.3510   2.0460 -2.967000 4.091000 
1 1 1   16   21   15 o   7.9740   2.0330 2.879000 4.067000 
1 1 1   16   21   16 o   7.5480   2.0680 0.3633000E-03 4.136000 
1 1 1   16   21   17 o   9.4560   2.0660 1.352000 4.133000 
1 1 1   16   21   18 o   6.8840   1.9650 -1.315000 3.930000 
1 1 1   16   22    0 o   6.4130   2.8130 -0.000000 0.000000 
1 1 1   16   22    1 o   11.110   2.1380 3.011000 4.276000 
1 1 1   16   22    2 o   9.3410   2.2190 1.736000 4.439000 
1 1 1   16   22    3 o   7.8150   2.1160 -2.681000 4.233000 
1 1 1   16   22    4 o   7.8610   2.1500 2.037000 4.299000 
1 1 1   16   22    5 o   7.4930   2.1220 0.8274000 4.244000 
1 1 1   16   22    6 o   6.0240   1.9170 -0.5311000 3.833000 
1 1 1   16   22    7 o   10.640   1.9520 6.974000 3.904000 
1 1 1   16   22    8 o   14.420   1.7160 0.5703000 3.431000 
1 1 1   16   22    9 o   8.2580   2.1290 1.732000 4.258000 
1 1 1   16   22   10 o   10.390   2.0650 -3.262000 4.130000 
1 1 1   16   22   11 o   12.600   1.8840 2.532000 3.769000 
1 1 1   16   22   12 o   8.3340   2.0840 1.772000 4.168000 
1 1 1   16   22   13 o   14.240   1.6440 3.049000 3.287000 
1 1 1   16   22   14 o   6.1410   1.8840 0.5440000 3.768000 
1 1 1   16   22   15 o   7.6670   1.9760 -2.541000 3.953000 
1 1 1   16   22   16 o   5.9070   1.8390 -0.5623000 3.679000 
1 1 1   16   23    0 o   8.7450   3.1850 -0.000000 0.000000 
1 1 1   16   23    1 o   8.4390   2.2250 0.6989000 4.450000 
1 1 1   16   23    2 o   10.360   2.1980 2.528000 4.396000 
1 1 1   16   23    3 o   9.1980   1.9210 7.253000 3.843000 
1 1 1   16   23    4 o   8.5980   2.1950 2.056000 4.390000 
1 1 1   16   23    5 o   8.0860   1.9830 5.606000 3.967000 
1 1 1   16   23    6 o   7.3100   1.9640 -4.314000 3.928000 
1 1 1   16   23    7 o   10.810   2.1410 -1.223000 4.282000 
1 1 1   16   23    8 o   10.570   2.0980 2.818000 4.196000 
1 1 1   16   23    9 o   7.7100   2.0960 -0.2501000E-01 4.192000 
1 1 1   16   23   10 o   7.9430   2.0080 3.373000 4.015000 
1 1 1   16   23   11 o   6.5540   1.9330 1.130000 3.866000 
1 1 1   16   23   12 o   9.5510   2.0050 -0.7596000 4.011000 
1 1 1   16   23   13 o   8.3410   2.3340 -1.994000 4.668000 
1 1 1   16   24    0 o   10.560   3.0820 -0.000000 0.000000 
1 1 1   16   24    1 o   8.1040   2.1540 1.744000 4.307000 
1 1 1   16   24    2 f   7.3570   2.0010 4.027000 4.001000 
1 1 1   16   24    3 o   6.6110   2.0120 0.1593000 4.025000 
1 1 1   16   24    4 o   8.9860   2.0910 3.723000 4.183000 
1 1 1   16   24    5 o   7.5440   2.0720 1.845000 4.143000 
1 1 1   16   24    6 o   10.300   2.0150 -4.220000 4.030000 
1 1 1   16   24    7 o   6.8590   1.9150 3.546000 3.830000 
1 1 1   16   24    8 o   8.0810   2.0060 -3.494000 4.013000 
1 1 1   17    0    1 o  119.800   1.2490 -0.000000 0.000000 
1 1 1   17    0    2 o   26.090   0.3394 -0.000000 0.000000 
1 1 1   17    0    3 o   83.190   0.8721 -0.000000 0.000000 
1 1 1   17    0    4 o   15.990   0.4050 -0.000000 0.000000 
1 1 1   17    0    5 o   89.790   1.0860 -0.000000 0.000000 
1 1 1   17    0    6 o   92.460   1.1170 -0.000000 0.000000 
1 1 1   17    0    7 o   2.7780   1.1600 -0.000000 0.000000 
1 1 1   17    0    8 o  125.300   1.5110 -0.000000 0.000000 
1 1 1   17    0    9 o   76.620   0.9305 -0.000000 0.000000 
1 1 1   17    0   10 o   52.990   0.8059 -0.000000 0.000000 
1 1 1   17    0   11 o   47.680   0.7384 -0.000000 0.000000 
1 1 1   17    0   13 o   13.730   0.5812 -0.000000 0.000000 
1 1 1   17    0   14 o   55.560   0.8569 -0.000000 0.000000 
1 1 1   17    0   15 o   22.600   0.4902 -0.000000 0.000000 
1 1 1   17    0   16 o   49.140   1.1010 -0.000000 0.000000 
1 1 1   17    0   17 f   51.250   1.1500 -0.000000 0.000000 
1 1 1   17    0   18 o   7.3360   2.2590 -0.000000 0.000000 
1 1 1   17    0   19 o   14.530   1.4980 -0.000000 0.000000 
1 1 1   17    0   20 o   28.110   1.0320 -0.000000 0.000000 
1 1 1   17    0   21 o   36.580   1.0240 -0.000000 0.000000 
1 1 1   17    0   22 o   9.8930   2.4970 -0.000000 0.000000 
1 1 1   17    0   23 o   24.510   1.1890 -0.000000 0.000000 
1 1 1   17    0   24 o   7.6300   2.7770 -0.000000 0.000000 
1 1 1   17    0   25 o   20.670   1.5400 -0.000000 0.000000 
1 1 1   17    0   26 o   44.310   1.2010 -0.000000 0.000000 
1 1 1   17    0   27 o   41.980   1.2530 -0.000000 0.000000 
1 1 1   17    0   28 o   25.230   1.5280 -0.000000 0.000000 
1 1 1   17    0   29 o   6.4290   2.8670 -0.000000 0.000000 
1 1 1   17    0   30 o   23.180   1.7300 -0.000000 0.000000 
1 1 1   17    0   31 o   47.490   1.3310 -0.000000 0.000000 
1 1 1   17    0   32 o   8.4220   3.3390 -0.000000 0.000000 
1 1 1   17    0   33 o   11.610   3.3710 -0.000000 0.000000 
1 1 1   17    0   34 o   6.6800   2.9440 -0.000000 0.000000 
1 1 1   17    0   35 o   10.830   3.2610 -0.000000 0.000000 
1 1 1   17    1    0 o   33.700   0.5489 -0.000000 0.000000 
1 1 1   17    1    1 o   45.410   0.4989 14.82000 0.9979000 
1 1 1   17    1    2 o   69.530   0.7327 6.311000 1.465000 
1 1 1   17    1    3 o   61.600   0.6516 1.700000 1.303000 
1 1 1   17    1    4 o  119.100   1.2430 5.807000 2.487000 
1 1 1   17    1    5 f   84.230   0.8831 0.5403000 1.766000 
1 1 1   17    1    6 o  112.100   1.1710 2.432000 2.343000 
1 1 1   17    1    7 o  118.700   1.2400 -6.216000 2.481000 
1 1 1   17    1    8 o   50.390   0.5476 10.05000 1.095000 
1 1 1   17    1    9 f   86.520   0.9085 0.2947000 1.817000 
1 1 1   17    1   10 o  144.900   1.5130 -0.4311000 3.026000 
1 1 1   17    1   11 f   57.420   0.6158 -4.342000 1.232000 
1 1 1   17    1   12 o   13.450   0.4371 2.670000 0.8742000 
1 1 1   17    1   13 o   72.990   0.7078 -1.183000 1.416000 
1 1 1   17    1   14 f   56.400   0.5274 0.4595000 1.055000 
1 1 1   17    1   16 o   28.710   0.4489 -0.3197000 0.8978000 
1 1 1   17    1   17 o   48.900   0.6530 3.203000 1.306000 
1 1 1   17    1   18 o   5.1840   1.4170      ?      ? 
1 1 1   17    1   19 o   54.980   0.7452 2.144000 1.490000 
1 1 1   17    1   20 f   61.200   0.8317 -2.681000 1.663000 
1 1 1   17    1   21 o   34.780   0.6002 -0.1757000 1.200000 
1 1 1   17    1   22 o   73.130   1.1180 -1.914000 2.236000 
1 1 1   17    1   23 o   28.720   0.7738 0.8503000 1.548000 
1 1 1   17    1   24 o   27.530   0.8487 0.9934000 1.697000 
1 1 1   17    1   25 o   56.170   0.9319 -0.1426000 1.864000 
1 1 1   17    1   26 o   29.990   0.9151 -0.5050000 1.830000 
1 1 1   17    1   27 o   22.170   1.2020 -0.7494000 2.405000 
1 1 1   17    1   28 o   7.9800   2.1800 1.324000 4.360000 
1 1 1   17    1   29 o   19.770   1.4420 -4.211000 2.884000 
1 1 1   17    1   30 o   18.420   1.5700 3.419000 3.140000 
1 1 1   17    1   31 o   11.410   2.3240 1.619000 4.649000 
1 1 1   17    1   32 o   7.8600   2.3000 0.7860000 4.600000 
1 1 1   17    1   33 o   15.870   1.9360 0.1967000 3.871000 
1 1 1   17    1   34 o   10.760   2.1600 4.614000 4.320000 
1 1 1   17    1   35 o   11.520   2.2210 -3.825000 4.443000 
1 1 1   17    2    0 o  121.700   1.7950 -0.000000 0.000000 
1 1 1   17    2    1 o   96.070   1.0050 3.760000 2.011000 
1 1 1   17    2    2 o  113.200   1.1820 -0.2706000 2.364000 
1 1 1   17    2    3 o  149.800   1.5620 -8.170000 3.124000 
1 1 1   17    2    4 f   35.360   0.4156 6.562000 0.8311000 
1 1 1   17    2    5 o   58.050   0.6198 -3.316000 1.240000 
1 1 1   17    2    6 f   50.140   0.5448 4.048000 1.090000 
1 1 1   17    2    7 o   39.790   0.4542 -6.578000 0.9085000 
1 1 1   17    2    8 o   47.900   0.5247 0.9627000E-01 1.049000 
1 1 1   17    2    9 o   96.980   1.0160 -0.3375000 2.033000 
1 1 1   17    2   11 o   67.390   0.7167 -0.8283000 1.433000 
1 1 1   17    2   12 o   34.210   0.3828 -1.088000 0.7656000 
1 1 1   17    2   13 o   33.660   0.3794 -0.1438000 0.7589000 
1 1 1   17    2   14 o   37.820   0.4072 -2.969000 0.8144000 
1 1 1   17    2   15 o   36.810   0.5012      ?      ? 
1 1 1   17    2   16 o   26.140   0.4913      ?      ? 
1 1 1   17    2   17 o   26.590   0.3721 0.8930000 0.7442000 
1 1 1   17    2   18 f   28.860   0.3815 0.9928000 0.7630000 
1 1 1   17    2   19 o   58.030   0.6345 2.151000 1.269000 
1 1 1   17    2   20 o   37.270   0.6079 -4.225000 1.216000 
1 1 1   17    2   21 o   61.970   0.8371 -0.8998000 1.674000 
1 1 1   17    2   22 o   23.890   0.7037 -0.7084000 1.407000 
1 1 1   17    2   23 o   41.270   0.7347      ?      ? 
1 1 1   17    2   24 o   25.420   0.7170      ?      ? 
1 1 1   17    2   25 o   44.600   0.7880      ?      ? 
1 1 1   17    2   26 o   43.410   0.7854      ?      ? 
1 1 1   17    2   27 o   25.380   0.8215 0.2928000 1.643000 
1 1 1   17    2   28 o   19.720   1.2540 7.107000 2.508000 
1 1 1   17    2   29 o   30.570   0.7857 -2.624000 1.571000 
1 1 1   17    2   30 o   14.310   1.3630 -3.849000 2.725000 
1 1 1   17    2   31 o   10.760   1.8180 3.239000 3.637000 
1 1 1   17    2   32 o   18.520   1.1830 0.5263000 2.367000 
1 1 1   17    2   33 o   17.520   1.1780 -0.8481000 2.356000 
1 1 1   17    2   34 o   9.7710   1.7800 -2.958000 3.560000 
1 1 1   17    2   35 o   7.7920   1.8120 -5.896000 3.623000 
1 1 1   17    3    0 o   63.220   0.9531 -0.000000 0.000000 
1 1 1   17    3    1 o  106.800   1.1170 1.069000 2.234000 
1 1 1   17    3    2 o   74.040   0.7833 5.134000 1.567000 
1 1 1   17    3    3 o   67.710   0.7191 -0.9330000 1.438000 
1 1 1   17    3    4 o   35.510   0.4306 1.997000 0.8612000 
1 1 1   17    3    5 o  111.000   1.1610 4.223000 2.322000 
1 1 1   17    3    6 o   13.990   0.5507 -2.705000 1.101000 
1 1 1   17    3    7 o  121.800   1.2730 3.135000 2.545000 
1 1 1   17    3    8 o   17.820   0.4689 0.8451000 0.9377000 
1 1 1   17    3    9 o   98.210   0.9408 -0.5540000E-01 1.882000 
1 1 1   17    3   10 o   6.3330   1.0800 -2.051000 2.160000 
1 1 1   17    3   11 o   5.2460   1.1860 -0.9280000 2.373000 
1 1 1   17    3   12 o   26.470   0.4266 -0.3939000 0.8532000 
1 1 1   17    3   13 o   43.970   0.4642 -4.736000 0.9284000 
1 1 1   17    3   14 o   44.480   0.5113 -1.896000 1.023000 
1 1 1   17    3   15 o   24.950   0.3991 -0.7050000 0.7982000 
1 1 1   17    3   16 o   22.830   0.6697      ?      ? 
1 1 1   17    3   17 o   8.3250   1.0640 3.592000 2.127000 
1 1 1   17    3   18 o   54.920   0.5562 -2.811000 1.112000 
1 1 1   17    3   19 o   49.390   0.5123 -0.5705000 1.025000 
1 1 1   17    3   20 o   23.320   0.4360 0.9373000 0.8719000 
1 1 1   17    3   21 o   56.690   0.5756 -0.1392000 1.151000 
1 1 1   17    3   22 o   19.260   0.7857 0.1944000 1.571000 
1 1 1   17    3   23 o   71.560   0.7139 -2.642000 1.428000 
1 1 1   17    3   24 o   21.260   0.4636 -1.051000 0.9271000 
1 1 1   17    3   25 o   34.970   0.4552 -1.037000 0.9103000 
1 1 1   17    3   26 o   37.720   0.7446 0.4164000 1.489000 
1 1 1   17    3   27 o   20.170   1.0660 -1.060000 2.131000 
1 1 1   17    3   28 o   38.350   0.8177      ?      ? 
1 1 1   17    3   29 o   36.940   0.8446      ?      ? 
1 1 1   17    3   30 o   13.730   1.6150      ?      ? 
1 1 1   17    3   31 o   15.460   1.4380      ?      ? 
1 1 1   17    3   32 o   14.770   1.4830      ?      ? 
1 1 1   17    3   33 o   15.040   1.5000 -0.9873000 2.999000 
1 1 1   17    3   34 o   7.5450   1.9980 -1.122000 3.997000 
1 1 1   17    3   35 o   9.1350   1.8030 -1.899000 3.606000 
1 1 1   17    4    0 o   68.430   1.0330 -0.000000 0.000000 
1 1 1   17    4    1 o   72.720   0.7735 1.609000 1.547000 
1 1 1   17    4    2 o  153.600   1.6040 -12.18000 3.207000 
1 1 1   17    4    3 o   47.850   0.5387 2.926000 1.077000 
1 1 1   17    4    4 o   58.760   0.6377 -0.7300000 1.275000 
1 1 1   17    4    5 o  146.200   1.5260 6.326000 3.053000 
1 1 1   17    4    6 o   82.930   0.7999 -0.5551000 1.600000 
1 1 1   17    4    7 o   99.660   0.9526 3.450000 1.905000 
1 1 1   17    4    8 o  138.500   1.3140 7.868000 2.629000 
1 1 1   17    4    9 o   74.160   0.7219 -1.461000 1.444000 
1 1 1   17    4   10 o   65.490   0.6424 0.5606000 1.285000 
1 1 1   17    4   11 o   69.540   0.6831 -4.709000 1.366000 
1 1 1   17    4   12 o   21.920   0.3844 -3.218000 0.7689000 
1 1 1   17    4   13 o   22.780   0.3763 5.771000 0.7526000 
1 1 1   17    4   14 o   28.460   0.3569 -0.1925000 0.7137000 
1 1 1   17    4   15 o   29.090   0.3949 0.7329000 0.7897000 
1 1 1   17    4   16 o   23.370   0.3812 1.463000 0.7623000 
1 1 1   17    4   17 o   62.300   0.5519 0.4992000 1.104000 
1 1 1   17    4   18 o   47.640   0.4483 -4.732000 0.8967000 
1 1 1   17    4   19 o   13.540   0.6141 5.172000 1.228000 
1 1 1   17    4   20 o   39.870   0.4107 -0.6956000E-01 0.8214000 
1 1 1   17    4   21 f   34.120   0.3947 -4.680000 0.7893000 
1 1 1   17    4   22 o   61.140   0.5509 -0.3264000 1.102000 
1 1 1   17    4   23 o   60.680   0.5498 -0.6891000 1.100000 
1 1 1   17    4   24 f   29.100   0.4564 1.701000 0.9128000 
1 1 1   17    4   25 f   20.450   0.6552 0.3412000 1.310000 
1 1 1   17    4   26 o   22.490   0.5186 0.4064000 1.037000 
1 1 1   17    4   27 o   15.210   0.8009 -1.297000 1.602000 
1 1 1   17    4   28 o   36.050   0.5038 -1.211000 1.008000 
1 1 1   17    4   29 o   12.450   1.0570 -0.8020000 2.113000 
1 1 1   17    4   30 o   13.110   1.0850 -4.280000 2.169000 
1 1 1   17    4   31 o   10.130   1.4680 0.1165000 2.936000 
1 1 1   17    4   32 o   12.230   1.2340 4.658000 2.468000 
1 1 1   17    4   33 o   6.3500   1.5980 -1.764000 3.197000 
1 1 1   17    4   34 o   6.2780   1.4650 -3.112000 2.930000 
1 1 1   17    4   35 o   5.0070   1.4780 1.616000 2.955000 
1 1 1   17    5    0 f   16.450   0.8085 -0.000000 0.000000 
1 1 1   17    5    1 o   75.510   0.8053 -3.892000 1.611000 
1 1 1   17    5    2 o   42.990   0.5179 -0.6079000 1.036000 
1 1 1   17    5    3 o  103.200   0.9955 -5.774000 1.991000 
1 1 1   17    5    4 o   38.090   0.4387 1.560000 0.8774000 
1 1 1   17    5    5 o  119.500   1.1440 -1.825000 2.289000 
1 1 1   17    5    6 o  132.600   1.2590 7.855000 2.518000 
1 1 1   17    5    7 f   25.720   0.4124 -12.21000 0.8248000 
1 1 1   17    5    8 o   43.730   0.4221 -0.3860000 0.8442000 
1 1 1   17    5    9 o   7.3070   0.9939 6.382000 1.988000 
1 1 1   17    5   10 o   56.360   0.5079 -0.9841000 1.016000 
1 1 1   17    5   11 o   45.290   0.4337 -1.377000 0.8674000 
1 1 1   17    5   12 o   40.290   0.4553 3.853000 0.9106000 
1 1 1   17    5   13 o   26.110   0.3893 1.214000 0.7786000 
1 1 1   17    5   14 o   12.470   0.7686 -0.5891000 1.537000 
1 1 1   17    5   15 o   21.860   0.4624 2.607000 0.9248000 
1 1 1   17    5   16 o   77.220   0.6730 4.683000 1.346000 
1 1 1   17    5   17 o   37.910   0.4051 -0.6159000 0.8103000 
1 1 1   17    5   18 o   8.9760   1.1050 4.455000 2.209000 
1 1 1   17    5   19 o   61.660   0.5562 1.344000 1.112000 
1 1 1   17    5   20 o   21.700   0.4819 1.868000 0.9638000 
1 1 1   17    5   21 o   16.100   0.6128 1.826000 1.226000 
1 1 1   17    5   22 o   32.060   0.4262 -2.463000 0.8524000 
1 1 1   17    5   23 o   23.520   0.4862 -0.3348000 0.9724000 
1 1 1   17    5   24 o   46.610   0.5353 -1.404000 1.071000 
1 1 1   17    5   25 o   20.870   0.6163 1.161000 1.233000 
1 1 1   17    5   26 o   12.730   1.0020 0.8442000 2.004000 
1 1 1   17    5   27 o   28.010   0.5533 1.298000 1.107000 
1 1 1   17    5   28 o   16.320   0.8254 -1.674000 1.651000 
1 1 1   17    5   29 o   21.190   0.6746 -1.278000 1.349000 
1 1 1   17    5   30 o   21.980   0.6721 -0.5023000 1.344000 
1 1 1   17    5   31 o   17.220   0.8174 -0.2496000 1.635000 
1 1 1   17    5   32 o   6.9640   1.6220 0.9096000 3.244000 
1 1 1   17    5   33 o   5.7980   1.5680 -2.046000 3.137000 
1 1 1   17    5   34 o   6.5350   1.5730 0.7757000 3.146000 
1 1 1   17    6    0 o   77.650   0.9580 -0.000000 0.000000 
1 1 1   17    6    1 o   83.100   0.7217 -0.3525000 1.443000 
1 1 1   17    6    2 o  111.800   0.9588 4.097000 1.918000 
1 1 1   17    6    3 o   74.540   0.6521 4.617000 1.304000 
1 1 1   17    6    4 o   30.050   0.3903 -0.4609000 0.7805000 
1 1 1   17    6    5 o   48.030   0.4596 -6.703000 0.9192000 
1 1 1   17    6    6 o   61.350   0.5495 -1.385000 1.099000 
1 1 1   17    6    7 o   81.090   0.7047 -1.843000 1.409000 
1 1 1   17    6    8 o   36.990   0.4057 4.221000 0.8114000 
1 1 1   17    6    9 o   51.480   0.4799 -0.5494000E-01 0.9597000 
1 1 1   17    6   10 o   45.530   0.4972 1.152000 0.9944000 
1 1 1   17    6   11 o   37.060   0.4083 6.165000 0.8166000 
1 1 1   17    6   12 o   9.2690   1.0140 0.9928000 2.027000 
1 1 1   17    6   13 o   28.730   0.4709 1.597000 0.9418000 
1 1 1   17    6   14 o   33.760   0.4598 -2.467000 0.9196000 
1 1 1   17    6   15 o   51.160   0.4856 -1.900000 0.9712000 
1 1 1   17    6   16 f   36.520   0.4704 -0.1264000 0.9409000 
1 1 1   17    6   17 o   29.720   0.4287 -0.5994000E-01 0.8574000 
1 1 1   17    6   18 o   87.650   0.7621 -1.714000 1.524000 
1 1 1   17    6   19 o   33.610   0.4881 2.865000 0.9762000 
1 1 1   17    6   20 o   25.720   0.4765 -0.1857000 0.9529000 
1 1 1   17    6   21 o   19.050   0.5971 1.780000 1.194000 
1 1 1   17    6   22 o   40.820   0.4579 2.229000 0.9157000 
1 1 1   17    6   23 o   22.680   0.6121 -1.308000 1.224000 
1 1 1   17    6   24 o   34.340   0.4704 -1.587000 0.9407000 
1 1 1   17    6   25 o   16.000   0.8151 4.087000 1.630000 
1 1 1   17    6   26 o   23.330   0.6539 1.827000 1.308000 
1 1 1   17    6   27 o   16.190   1.3990      ?      ? 
1 1 1   17    6   28 o   6.4150   1.5490 -5.291000 3.098000 
1 1 1   17    6   29 o   24.010   0.7621 -1.642000 1.524000 
1 1 1   17    6   30 o   14.200   1.0840 -2.517000 2.169000 
1 1 1   17    6   31 o   17.180   0.9128 2.475000 1.826000 
1 1 1   17    6   32 o   25.370   0.6448 0.6001000 1.290000 
1 1 1   17    6   33 o   8.9690   1.5270 3.448000 3.055000 
1 1 1   17    6   34 o   14.380   1.0810 2.349000 2.163000 
1 1 1   17    7    0 o   11.500   0.9903 -0.000000 0.000000 
1 1 1   17    7    1 o   61.950   0.5267 5.197000 1.053000 
1 1 1   17    7    2 o   40.980   0.4009 -0.4898000 0.8018000 
1 1 1   17    7    3 o   64.410   0.5424 2.183000 1.085000 
1 1 1   17    7    4 o  112.400   0.9032 1.428000 1.806000 
1 1 1   17    7    5 o   34.060   0.3889 1.804000 0.7778000 
1 1 1   17    7    6 o   17.010   0.5847 -5.397000 1.169000 
1 1 1   17    7    7 o   24.640   0.4386 -4.042000 0.8773000 
1 1 1   17    7    8 o   19.670   0.5428 -4.344000 1.086000 
1 1 1   17    7    9 o   43.220   0.4426 -0.6437000 0.8852000 
1 1 1   17    7   10 o   27.530   0.4374 3.854000 0.8749000 
1 1 1   17    7   11 o   25.410   0.4628 0.3375000 0.9257000 
1 1 1   17    7   12 o   23.660   0.4867 2.026000 0.9733000 
1 1 1   17    7   13 o   33.280   0.4323 3.020000 0.8646000 
1 1 1   17    7   14 o   32.940   0.4369 1.882000 0.8738000 
1 1 1   17    7   15 o   51.700   0.4981 -5.696000 0.9962000 
1 1 1   17    7   16 o   14.430   0.7592 -0.1108000 1.518000 
1 1 1   17    7   17 o   50.660   0.4985 -1.999000 0.9970000 
1 1 1   17    7   18 o   22.620   0.6096 -0.8894000 1.219000 
1 1 1   17    7   19 o   95.510   0.8298 2.628000 1.660000 
1 1 1   17    7   20 o   30.960   0.4794 3.677000 0.9588000 
1 1 1   17    7   21 o   19.800   0.6323 -0.4160000 1.265000 
1 1 1   17    7   22 o   39.620   0.5384 0.5751000 1.077000 
1 1 1   17    7   23 o   20.460   0.6642 1.776000 1.328000 
1 1 1   17    7   24 o   34.950   0.4988 -1.880000 0.9975000 
1 1 1   17    7   25 o   34.210   0.5123 -1.098000 1.025000 
1 1 1   17    7   26 o   37.220   0.5195 2.147000 1.039000 
1 1 1   17    7   27 o   13.990   1.2180 -2.052000 2.436000 
1 1 1   17    7   28 o   10.670   1.5570 -0.1832000 3.114000 
1 1 1   17    7   29 o   7.8510   1.8100 -1.106000 3.620000 
1 1 1   17    7   30 o   8.1500   1.7770 0.7078000 3.553000 
1 1 1   17    7   31 o   18.220   1.0730 -4.717000 2.145000 
1 1 1   17    7   32 o   13.000   1.2800 0.4244000 2.561000 
1 1 1   17    7   33 o   8.9420   1.7020 -1.818000 3.404000 
1 1 1   17    7   34 o   6.1930   1.6450 1.470000 3.290000 
1 1 1   17    8    0 o   26.470   0.5739 -0.000000 0.000000 
1 1 1   17    8    1 o   33.170   0.3760 5.776000 0.7519000 
1 1 1   17    8    2 o   67.030   0.5222 5.237000 1.044000 
1 1 1   17    8    3 o   20.700   0.4620 1.344000 0.9239000 
1 1 1   17    8    4 o   21.590   0.5029 -0.4061000 1.006000 
1 1 1   17    8    5 o   79.280   0.6510 -2.416000 1.302000 
1 1 1   17    8    6 o   60.480   0.5211 -0.8194000 1.042000 
1 1 1   17    8    7 o   53.880   0.4813 1.001000 0.9625000 
1 1 1   17    8    8 o   53.550   0.4808 1.910000 0.9617000 
1 1 1   17    8    9 o   26.300   0.4537 -1.028000 0.9075000 
1 1 1   17    8   10 o   35.910   0.4212 1.991000 0.8425000 
1 1 1   17    8   11 o   36.450   0.4631 2.045000 0.9262000 
1 1 1   17    8   12 o   42.090   0.4654 -2.135000 0.9308000 
1 1 1   17    8   13 o   29.630   0.4426 0.6094000 0.8851000 
1 1 1   17    8   14 o   17.540   0.6310 5.551000 1.262000 
1 1 1   17    8   15 o   7.6900   1.3520 -1.967000 2.703000 
1 1 1   17    8   16 o   14.690   0.7786 3.779000 1.557000 
1 1 1   17    8   17 o   23.440   0.5517 2.318000 1.103000 
1 1 1   17    8   18 o   29.240   0.5082 -0.8812000 1.016000 
1 1 1   17    8   19 o   51.570   0.5208 -1.304000 1.042000 
1 1 1   17    8   20 o   26.160   0.5611 1.875000 1.122000 
1 1 1   17    8   21 o   25.440   0.5826 -0.3482000 1.165000 
1 1 1   17    8   22 f   25.790   0.6783 5.642000 1.357000 
1 1 1   17    8   23 o   32.000   0.5455 3.788000 1.091000 
1 1 1   17    8   24 o   27.450   0.5964 -3.225000 1.193000 
1 1 1   17    8   25 o   46.580   0.5343 -0.8436000 1.069000 
1 1 1   17    8   26 o   14.150   1.1100 -2.300000 2.219000 
1 1 1   17    8   27 o   18.390   0.8778 0.7505000 1.756000 
1 1 1   17    8   28 o   13.880   1.2310 2.667000 2.461000 
1 1 1   17    8   29 f   15.930   1.0400 -1.980000 2.080000 
1 1 1   17    8   30 o   19.580   0.9439 0.4500000 1.888000 
1 1 1   17    8   31 o   7.5170   1.6480 3.903000 3.297000 
1 1 1   17    8   32 o   18.400   0.9752 2.641000 1.950000 
1 1 1   17    8   33 o   5.7740   1.6490 -1.525000 3.297000 
1 1 1   17    9    0 o   26.160   0.6266 -0.000000 0.000000 
1 1 1   17    9    1 o   35.840   0.4275 -2.888000 0.8551000 
1 1 1   17    9    2 o   9.4020   1.1370 -3.420000 2.275000 
1 1 1   17    9    3 o   30.170   0.4185 -2.452000 0.8370000 
1 1 1   17    9    4 o   20.880   0.5279 -3.412000 1.056000 
1 1 1   17    9    5 o   25.660   0.4500 3.007000 0.8999000 
1 1 1   17    9    6 o   27.500   0.4735 -2.461000 0.9469000 
1 1 1   17    9    7 o   15.080   0.7497 0.3550000 1.499000 
1 1 1   17    9    8 o   37.260   0.4404 -0.8907000 0.8808000 
1 1 1   17    9    9 o   24.850   0.5023 -0.3342000 1.005000 
1 1 1   17    9   10 o   13.380   0.8842 2.280000 1.768000 
1 1 1   17    9   11 o   15.700   0.7949 -4.821000 1.590000 
1 1 1   17    9   12 o   50.370   0.5351 0.3872000E-01 1.070000 
1 1 1   17    9   13 o   32.590   0.4529 1.441000 0.9059000 
1 1 1   17    9   14 o   23.890   0.5426 -2.481000 1.085000 
1 1 1   17    9   15 o   21.130   0.7308 -4.916000 1.462000 
1 1 1   17    9   16 o   24.180   0.5515 1.957000 1.103000 
1 1 1   17    9   17 f   25.790   0.6141 0.7516000 1.228000 
1 1 1   17    9   18 o   36.470   0.4780 1.938000 0.9560000 
1 1 1   17    9   19 o   32.620   0.5046 3.340000 1.009000 
1 1 1   17    9   20 o   19.380   0.8288 -0.1118000 1.658000 
1 1 1   17    9   21 o   31.940   0.5221 0.8524000 1.044000 
1 1 1   17    9   22 o   26.190   0.7103 -0.1177000 1.421000 
1 1 1   17    9   23 o   12.960   1.2220 2.645000 2.444000 
1 1 1   17    9   24 o   20.960   0.7826 -0.6211000 1.565000 
1 1 1   17    9   25 o   27.180   0.6561 1.391000 1.312000 
1 1 1   17    9   26 o   14.150   1.1960 1.544000 2.393000 
1 1 1   17    9   27 o   16.360   1.0370 2.783000 2.075000 
1 1 1   17    9   28 o   8.4890   1.7690 -2.534000 3.538000 
1 1 1   17    9   29 o   8.8760   1.5550 6.388000 3.111000 
1 1 1   17    9   30 o   13.520   1.2330 0.8446000 2.467000 
1 1 1   17    9   31 o   26.960   0.6744 0.8126000 1.349000 
1 1 1   17    9   32 o   9.2310   1.7180 -1.551000 3.436000 
1 1 1   17    9   33 o   6.1080   1.6890 -2.076000 3.378000 
1 1 1   17   10    0 o   14.160   1.1440 -0.000000 0.000000 
1 1 1   17   10    1 o   27.120   0.4629 -3.741000 0.9258000 
1 1 1   17   10    2 o   15.830   0.7121 3.487000 1.424000 
1 1 1   17   10    3 o   49.290   0.4436 1.011000 0.8873000 
1 1 1   17   10    4 o   25.680   0.4870 -0.9541000E-01 0.9740000 
1 1 1   17   10    5 o   34.150   0.4246 -3.027000 0.8492000 
1 1 1   17   10    6 o   24.430   0.4973 0.5817000 0.9946000 
1 1 1   17   10    7 o   15.380   0.7433 -3.133000 1.487000 
1 1 1   17   10    8 o   5.8340   1.4270 2.846000 2.853000 
1 1 1   17   10    9 o   31.760   0.5639 -2.668000 1.128000 
1 1 1   17   10   10 o   19.510   0.6644 -0.7818000 1.329000 
1 1 1   17   10   11 o   31.910   0.4775 3.766000 0.9551000 
1 1 1   17   10   12 o   57.590   0.5235 1.352000 1.047000 
1 1 1   17   10   13 o   18.890   0.6976 -0.3855000 1.395000 
1 1 1   17   10   14 o   20.850   0.6466 1.867000 1.293000 
1 1 1   17   10   15 o   43.700   0.4772 2.343000 0.9544000 
1 1 1   17   10   16 o   16.020   0.8667 3.276000 1.733000 
1 1 1   17   10   17 o   37.290   0.4964 2.361000 0.9928000 
1 1 1   17   10   18 o   29.610   0.5552 3.751000 1.110000 
1 1 1   17   10   19 o   31.610   0.5491 0.8577000 1.098000 
1 1 1   17   10   20 o   18.610   1.0110 -2.699000 2.023000 
1 1 1   17   10   21 o   8.1480   1.7240 1.844000 3.448000 
1 1 1   17   10   22 o   16.740   1.1450 -0.8075000 2.291000 
1 1 1   17   10   23 o   15.240   1.1120 0.6677000 2.224000 
1 1 1   17   10   24 o   47.720   0.5458 -1.571000 1.092000 
1 1 1   17   10   25 o   27.520   0.7889 -1.080000 1.578000 
1 1 1   17   10   26 o   26.680   0.7071 0.5347000 1.414000 
1 1 1   17   10   27 o   24.280   0.7671 -0.9144000 1.534000 
1 1 1   17   10   28 f   14.770   1.2700 -0.7711000 2.541000 
1 1 1   17   10   29 o   9.5030   1.6670 6.043000 3.333000 
1 1 1   17   10   30 o   15.100   1.1500 3.473000 2.299000 
1 1 1   17   10   31 o   14.390   1.2420 -2.380000 2.485000 
1 1 1   17   10   32 o   7.7370   1.7990 -0.2743000 3.599000 
1 1 1   17   11    0 o   25.240   0.7280 -0.000000 0.000000 
1 1 1   17   11    1 o   16.800   0.7361 -3.201000 1.472000 
1 1 1   17   11    2 o   31.500   0.4592 -1.962000 0.9184000 
1 1 1   17   11    3 o   30.080   0.4699 1.853000 0.9398000 
1 1 1   17   11    4 o   23.170   0.5578 3.426000 1.116000 
1 1 1   17   11    5 o   26.780   0.5066 -1.406000 1.013000 
1 1 1   17   11    6 o   23.730   0.5959 -1.729000 1.192000 
1 1 1   17   11    7 o   37.020   0.4409 0.4788000 0.8819000 
1 1 1   17   11    8 o   40.650   0.4433 -1.804000 0.8867000 
1 1 1   17   11    9 o   27.130   0.5118 3.325000 1.024000 
1 1 1   17   11   10 o   34.690   0.4560 -1.101000 0.9120000 
1 1 1   17   11   11 o   22.270   0.6546 -0.1333000 1.309000 
1 1 1   17   11   12 o   16.380   0.8605 1.267000 1.721000 
1 1 1   17   11   13 o   31.050   0.5588 -0.6685000E-01 1.118000 
1 1 1   17   11   14 o   41.170   0.4943 1.364000 0.9885000 
1 1 1   17   11   15 o   21.450   0.7082 2.083000 1.416000 
1 1 1   17   11   16 o   43.840   0.5112 -0.2865000 1.022000 
1 1 1   17   11   17 o   22.370   0.7132 1.763000 1.426000 
1 1 1   17   11   18 o   36.300   0.6258 -1.456000 1.252000 
1 1 1   17   11   19 o   27.620   0.6396 -0.4491000 1.279000 
1 1 1   17   11   20 o   24.860   0.7116 -3.356000 1.423000 
1 1 1   17   11   21 o   18.890   1.0600 0.4527000 2.120000 
1 1 1   17   11   22 o   11.210   1.6240 -2.182000 3.248000 
1 1 1   17   11   23 o   39.050   0.6765 -0.4878000 1.353000 
1 1 1   17   11   24 o   6.7640   1.8850 0.6588000 3.770000 
1 1 1   17   11   25 o   25.220   0.8108 -2.476000 1.622000 
1 1 1   17   11   26 o   14.260   1.4600 0.9109000 2.920000 
1 1 1   17   11   27 f   8.0100   1.9070 3.198000 3.814000 
1 1 1   17   11   28 o   16.990   1.1740 3.534000 2.347000 
1 1 1   17   11   29 o   20.410   0.9322 0.2724000 1.864000 
1 1 1   17   11   30 o   10.090   1.5500 -8.001000 3.099000 
1 1 1   17   11   31 o   4.6540   1.5000 -1.932000 3.000000 
1 1 1   17   12    0 o   34.760   0.6639 -0.000000 0.000000 
1 1 1   17   12    1 o   9.1820   1.4240 -0.1308000E-01 2.848000 
1 1 1   17   12    2 o   18.660   0.7132 3.427000 1.426000 
1 1 1   17   12    3 f   11.920   1.1880 4.740000 2.376000 
1 1 1   17   12    4 o   28.620   0.5155 -1.628000 1.031000 
1 1 1   17   12    5 f   32.010   0.4933 -2.458000 0.9866000 
1 1 1   17   12    6 o   50.140   0.4717 1.679000 0.9435000 
1 1 1   17   12    7 o   25.250   0.5728 -2.541000 1.146000 
1 1 1   17   12    8 o   32.940   0.4815 -0.8668000 0.9630000 
1 1 1   17   12    9 o   8.9590   1.5390 -4.454000 3.079000 
1 1 1   17   12   10 o   25.050   0.5971 -2.269000 1.194000 
1 1 1   17   12   11 o   72.350   0.5809 -2.110000 1.162000 
1 1 1   17   12   12 o   9.6710   1.5210 5.007000 3.042000 
1 1 1   17   12   13 o   51.360   0.5284 2.062000 1.057000 
1 1 1   17   12   14 o   23.530   0.8162 0.7583000 1.632000 
1 1 1   17   12   15 o   34.380   0.5525 -0.9771000 1.105000 
1 1 1   17   12   16 o   26.340   0.6612 1.190000 1.322000 
1 1 1   17   12   17 o   25.540   0.7003 -0.6862000 1.401000 
1 1 1   17   12   18 o   18.040   1.1240 2.941000 2.248000 
1 1 1   17   12   19 o   26.990   0.7021 0.4169000 1.404000 
1 1 1   17   12   20 o   28.680   0.7012 -4.304000 1.402000 
1 1 1   17   12   21 o   22.760   0.8562 1.691000 1.712000 
1 1 1   17   12   22 o   28.700   0.7115 1.572000 1.423000 
1 1 1   17   12   23 o   17.060   1.1870 -1.109000 2.374000 
1 1 1   17   12   24 o   14.090   1.4700 1.633000 2.940000 
1 1 1   17   12   25 o   8.0060   1.9260 3.566000 3.852000 
1 1 1   17   12   26 o   11.920   1.7550 -0.2478000 3.510000 
1 1 1   17   12   27 o   14.230   1.4790 3.704000 2.957000 
1 1 1   17   12   28 o   9.7650   1.7260 -6.442000 3.452000 
1 1 1   17   12   29 o   10.420   1.8250 -1.952000 3.650000 
1 1 1   17   12   30 o   6.0300   1.7860 1.508000 3.572000 
1 1 1   17   12   31 o   12.140   1.6010 -2.336000 3.201000 
1 1 1   17   13    0 o   26.640   0.8070 -0.000000 0.000000 
1 1 1   17   13    1 o   26.490   0.5795 1.758000 1.159000 
1 1 1   17   13    2 o   17.400   0.8209 0.5835000 1.642000 
1 1 1   17   13    3 o   27.940   0.5656 -0.2980000 1.131000 
1 1 1   17   13    4 o   17.350   0.8333 0.1615000 1.667000 
1 1 1   17   13    5 o   14.050   1.0540 -2.112000 2.108000 
1 1 1   17   13    6 o   34.210   0.5609 4.899000 1.122000 
1 1 1   17   13    7 o   18.900   0.8061 -3.905000 1.612000 
1 1 1   17   13    8 o   28.430   0.5663 1.543000 1.133000 
1 1 1   17   13    9 o   35.940   0.5113 5.002000 1.023000 
1 1 1   17   13   10 o   40.410   0.4904 -1.495000 0.9809000 
1 1 1   17   13   11 o   9.1120   1.6380 1.138000 3.276000 
1 1 1   17   13   12 o   58.620   0.5253 -2.793000 1.051000 
1 1 1   17   13   13 o   10.770   1.5530 5.005000 3.106000 
1 1 1   17   13   14 o   34.300   0.5812 -0.6096000E-01 1.162000 
1 1 1   17   13   15 o   6.6260   1.8070 -0.8999000E-01 3.614000 
1 1 1   17   13   16 o   16.420   1.2920 6.428000 2.585000 
1 1 1   17   13   17 o   20.470   0.9149 -0.7169000 1.830000 
1 1 1   17   13   18 o   34.920   0.6278 0.1276000 1.256000 
1 1 1   17   13   19 o   9.1700   1.8200 -3.589000 3.639000 
1 1 1   17   13   20 o   12.590   1.6350 1.773000 3.269000 
1 1 1   17   13   21 o   24.630   0.8567 2.303000 1.713000 
1 1 1   17   13   22 o   11.330   1.7560 6.559000 3.512000 
1 1 1   17   13   23 o   6.5680   1.8910 -2.032000 3.781000 
1 1 1   17   13   24 o   12.380   1.7510 3.238000 3.501000 
1 1 1   17   13   25 o   14.200   1.5510 3.796000 3.102000 
1 1 1   17   13   26 o   6.2410   1.8850 0.9121000 3.769000 
1 1 1   17   13   27 o   9.3630   1.8370 5.904000 3.674000 
1 1 1   17   13   28 o   17.760   1.1580 0.8157000 2.317000 
1 1 1   17   13   29 o   7.3400   1.8700 -2.828000 3.740000 
1 1 1   17   13   30 o   11.400   1.7340 -0.9604000 3.468000 
1 1 1   17   14    0 o   6.1140   2.4110 -0.000000 0.000000 
1 1 1   17   14    1 o   40.040   0.5092 -1.821000 1.018000 
1 1 1   17   14    2 o   8.9050   1.4670 7.041000 2.934000 
1 1 1   17   14    3 o   23.650   0.6814 0.2941000 1.363000 
1 1 1   17   14    4 o   18.810   0.8464 0.1245000 1.693000 
1 1 1   17   14    5 o   34.630   0.5421 4.732000 1.084000 
1 1 1   17   14    6 o   28.550   0.6102 0.6508000 1.220000 
1 1 1   17   14    7 o   30.860   0.6305 0.6886000 1.261000 
1 1 1   17   14    8 o   8.7200   1.5990 -5.344000 3.199000 
1 1 1   17   14    9 o   16.050   1.0540 4.848000 2.107000 
1 1 1   17   14   10 o   30.600   0.6025 -2.572000 1.205000 
1 1 1   17   14   11 o   24.790   0.6920 -0.9438000 1.384000 
1 1 1   17   14   12 o   9.4620   1.6910 -2.308000 3.381000 
1 1 1   17   14   13 o   25.060   0.6998 0.7446000 1.400000 
1 1 1   17   14   14 o   13.570   1.3040 -1.170000 2.608000 
1 1 1   17   14   15 o   11.100   1.6700 -6.662000 3.339000 
1 1 1   17   14   16 f   16.930   1.1700 2.772000 2.339000 
1 1 1   17   14   17 o   25.850   0.7976 -0.6290000 1.595000 
1 1 1   17   14   18 o   19.220   1.0670 0.4680000 2.134000 
1 1 1   17   14   19 o   12.590   1.6930 -3.092000 3.386000 
1 1 1   17   14   20 o   11.180   1.8880 1.329000 3.776000 
1 1 1   17   14   21 o   6.3390   1.9070 -0.4438000 3.815000 
1 1 1   17   14   22 o   11.780   1.8840 -0.3740000 3.768000 
1 1 1   17   14   23 o   9.2680   2.0200 4.302000 4.040000 
1 1 1   17   14   24 f   7.7070   1.8520 -5.160000 3.704000 
1 1 1   17   14   25 o   7.2210   2.0260 0.8883000 4.052000 
1 1 1   17   14   26 o   6.8360   1.9580 -0.9577000 3.916000 
1 1 1   17   14   27 o   8.4170   2.0180 -1.337000 4.036000 
1 1 1   17   14   28 o   11.350   1.7550 -5.483000 3.510000 
1 1 1   17   14   29 o   12.030   1.6970 -4.082000 3.393000 
1 1 1   17   15    0 o   4.4480   2.0900 -0.000000 0.000000 
1 1 1   17   15    1 o   22.000   0.7933 1.106000 1.587000 
1 1 1   17   15    2 o   20.990   0.8127 -0.5759000 1.625000 
1 1 1   17   15    3 o   64.690   0.5667 -1.142000 1.133000 
1 1 1   17   15    4 o   53.110   0.5277 -0.9789000 1.055000 
1 1 1   17   15    5 o   24.890   0.7271 -0.3365000 1.454000 
1 1 1   17   15    6 o   26.380   0.7043 3.995000 1.409000 
1 1 1   17   15    7 o   41.850   0.5357 0.4781000 1.071000 
1 1 1   17   15    8 o   31.800   0.6125 -1.309000 1.225000 
1 1 1   17   15    9 o   26.260   0.7039 0.9269000E-01 1.408000 
1 1 1   17   15   10 o   34.610   0.5884 -1.032000 1.177000 
1 1 1   17   15   11 f   50.580   0.5322 -0.7712000E-01 1.064000 
1 1 1   17   15   12 o   8.1410   1.8600 -2.172000 3.721000 
1 1 1   17   15   13 o   12.680   1.5080 -1.152000 3.017000 
1 1 1   17   15   14 o   32.430   0.6408 -2.131000 1.282000 
1 1 1   17   15   15 o   20.890   0.9325 -1.911000 1.865000 
1 1 1   17   15   16 o   14.270   1.4180 3.254000 2.837000 
1 1 1   17   15   17 o   13.120   1.6920 -0.2919000 3.385000 
1 1 1   17   15   18 o   26.700   0.8364 0.6489000 1.673000 
1 1 1   17   15   19 o   22.730   0.9969 -1.508000 1.994000 
1 1 1   17   15   20 o   9.6600   1.9090 6.656000 3.819000 
1 1 1   17   15   21 o   18.150   1.3860 1.711000 2.772000 
1 1 1   17   15   22 o   28.620   0.8382 -1.664000 1.676000 
1 1 1   17   15   23 o   14.020   1.6510 0.7865000 3.302000 
1 1 1   17   15   24 o   16.970   1.3310 1.837000 2.662000 
1 1 1   17   15   25 o   7.8350   1.8760 5.359000 3.752000 
1 1 1   17   15   26 o   6.6840   1.9240 -1.408000 3.848000 
1 1 1   17   15   27 o   10.530   1.8890 -4.267000 3.777000 
1 1 1   17   15   28 o   9.3430   2.0060 -0.2275000 4.012000 
1 1 1   17   16    0 o   13.910   1.9210 -0.000000 0.000000 
1 1 1   17   16    1 o   41.140   0.5564 1.003000 1.113000 
1 1 1   17   16    2 o   15.110   1.2290 0.2905000 2.458000 
1 1 1   17   16    3 o   17.640   1.0460 2.622000 2.092000 
1 1 1   17   16    4 o   29.840   0.6626 0.3918000 1.325000 
1 1 1   17   16    5 o   52.710   0.5449 -2.395000 1.090000 
1 1 1   17   16    6 o   8.8080   1.8440 2.942000 3.689000 
1 1 1   17   16    7 o   36.810   0.5952 2.349000 1.190000 
1 1 1   17   16    8 o   5.0500   1.6320 -0.3212000 3.265000 
1 1 1   17   16    9 o   30.740   0.6725 1.915000 1.345000 
1 1 1   17   16   10 o   24.140   0.8180 -1.658000 1.636000 
1 1 1   17   16   11 o   13.830   1.4440 2.479000 2.889000 
1 1 1   17   16   12 o   18.430   1.0850 -0.7891000 2.170000 
1 1 1   17   16   13 o   26.910   0.7642 0.8230000 1.528000 
1 1 1   17   16   14 o   13.350   1.7060 4.574000 3.412000 
1 1 1   17   16   15 o   7.4540   1.9700 -0.6939000 3.939000 
1 1 1   17   16   16 o   26.550   0.8066 0.7767000 1.613000 
1 1 1   17   16   17 o   29.200   0.7632 1.794000 1.526000 
1 1 1   17   16   18 o   13.640   1.7130 4.346000 3.426000 
1 1 1   17   16   19 o   10.830   2.0230 -2.753000 4.046000 
1 1 1   17   16   20 o   13.790   1.7870 4.747000 3.573000 
1 1 1   17   16   21 o   8.2020   2.0950 -1.735000 4.189000 
1 1 1   17   16   22 o   11.410   1.9010 -5.690000 3.802000 
1 1 1   17   16   23 o   8.1100   2.1060 -0.5923000 4.213000 
1 1 1   17   16   24 o   8.5420   2.0650 -1.713000 4.130000 
1 1 1   17   16   25 o   6.0760   1.8850 1.750000 3.769000 
1 1 1   17   16   26 o   6.0350   1.8360 2.702000 3.672000 
1 1 1   17   16   27 o   5.7910   1.8240 -0.2609000 3.647000 
1 1 1   17   17    0 f   26.860   1.0760 -0.000000 0.000000 
1 1 1   17   17    1 o   15.680   1.2620 1.630000 2.524000 
1 1 1   17   17    2 o   44.720   0.5734 -1.496000 1.147000 
1 1 1   17   17    3 o   41.010   0.5861 -0.5208000 1.172000 
1 1 1   17   17    4 o   29.130   0.7281 -2.240000 1.456000 
1 1 1   17   17    5 o   21.320   0.9509 -1.821000 1.902000 
1 1 1   17   17    6 o   16.730   1.2200 2.534000 2.440000 
1 1 1   17   17    7 o   18.110   1.1320 -3.224000 2.264000 
1 1 1   17   17    8 o   20.820   1.0130 0.8918000 2.027000 
1 1 1   17   17    9 o   19.410   1.0700 -0.9510000 2.140000 
1 1 1   17   17   10 o   10.090   1.9170 -3.457000 3.833000 
1 1 1   17   17   11 o   8.0920   1.9530 2.910000 3.906000 
1 1 1   17   17   12 o   14.620   1.4550 -1.179000 2.910000 
1 1 1   17   17   13 o   12.410   1.7450 0.2432000 3.490000 
1 1 1   17   17   14 o   19.190   1.1480 -3.780000 2.296000 
1 1 1   17   17   15 o   20.620   1.0600 1.417000 2.121000 
1 1 1   17   17   16 o   19.270   1.1570 2.961000 2.314000 
1 1 1   17   17   17 o   12.540   1.7880 5.672000 3.576000 
1 1 1   17   17   18 o   15.900   1.4140 0.2571000 2.828000 
1 1 1   17   17   19 o   8.0130   2.1300 2.093000 4.260000 
1 1 1   17   17   20 o   7.0030   2.0360 1.435000 4.073000 
1 1 1   17   17   21 o   7.3570   2.0720 -0.2161000 4.144000 
1 1 1   17   17   22 o   8.6740   2.0820 3.567000 4.164000 
1 1 1   17   17   23 o   6.4650   1.9510 0.7801000E-01 3.902000 
1 1 1   17   17   24 o   8.7950   2.0530 -2.318000 4.106000 
1 1 1   17   17   25 o   8.2630   1.9950 -2.910000 3.990000 
1 1 1   17   18    0 o   14.810   2.0220 -0.000000 0.000000 
1 1 1   17   18    1 o   41.930   0.6100 1.607000 1.220000 
1 1 1   17   18    2 o   13.840   1.5670 0.3893000 3.134000 
1 1 1   17   18    3 f   15.220   1.8050 -9.038000 3.611000 
1 1 1   17   18    4 o   8.8400   2.0370 1.162000 4.074000 
1 1 1   17   18    5 o   15.910   1.4060 -5.637000 2.811000 
1 1 1   17   18    6 o   26.750   0.8369 -1.912000 1.674000 
1 1 1   17   18    7 o   11.060   1.9540 2.013000 3.908000 
1 1 1   17   18    8 o   16.920   1.3260 1.457000 2.652000 
1 1 1   17   18    9 o   9.5840   1.8420 -6.804000 3.685000 
1 1 1   17   18   10 o   11.630   1.8730 5.154000 3.745000 
1 1 1   17   18   11 o   9.4730   1.7400 -8.007000 3.480000 
1 1 1   17   18   12 o   13.050   1.7630 -1.875000 3.525000 
1 1 1   17   18   13 o   26.240   0.8873 -1.849000 1.775000 
1 1 1   17   18   14 o   13.260   1.7470 -2.186000 3.495000 
1 1 1   17   18   15 o   13.570   1.7100 -1.613000 3.420000 
1 1 1   17   18   16 o   8.9060   2.1090 -0.8962000 4.219000 
1 1 1   17   18   17 o   18.130   1.2620 -0.6381000 2.524000 
1 1 1   17   18   18 o   8.1980   2.0970 -0.4718000 4.193000 
1 1 1   17   18   19 o   6.3750   1.9190 -1.569000 3.838000 
1 1 1   17   18   20 o   8.6490   2.1020 0.5309000 4.205000 
1 1 1   17   18   21 o   9.8580   2.1390 0.8309000 4.277000 
1 1 1   17   18   22 o   5.8440   1.8580 -0.2466000 3.717000 
1 1 1   17   18   23 o   7.3490   2.0720 1.081000 4.143000 
1 1 1   17   18   24 o   7.5780   2.0640 0.6193000 4.129000 
1 1 1   17   19    0 o   7.5670   2.9130 -0.000000 0.000000 
1 1 1   17   19    1 o   25.110   0.9292 -2.485000 1.858000 
1 1 1   17   19    2 o   15.640   1.5690 6.331000 3.139000 
1 1 1   17   19    3 o   9.6860   2.0940 -1.631000 4.188000 
1 1 1   17   19    4 o   7.0890   2.0280 -0.4474000 4.056000 
1 1 1   17   19    5 o   19.310   1.2070 -0.4757000 2.414000 
1 1 1   17   19    6 o   12.960   1.8410 5.356000 3.682000 
1 1 1   17   19    7 o   13.290   1.8090 -0.2740000E-01 3.618000 
1 1 1   17   19    8 o   13.850   1.7740 5.136000 3.548000 
1 1 1   17   19    9 o   14.810   1.6870 -4.270000 3.373000 
1 1 1   17   19   10 o   6.6450   1.9980 -0.2057000 3.996000 
1 1 1   17   19   11 o   10.300   2.0070 -4.534000 4.015000 
1 1 1   17   19   12 o   14.100   1.6860 0.7120000 3.372000 
1 1 1   17   19   13 o   6.6620   1.9790 1.511000 3.957000 
1 1 1   17   19   14 o   9.3140   2.1910 -0.8007000E-01 4.382000 
1 1 1   17   19   15 f   11.560   1.9860 2.432000 3.972000 
1 1 1   17   19   16 o   17.200   1.3460 1.291000 2.693000 
1 1 1   17   19   17 o   6.6580   1.9660 0.2288000 3.933000 
1 1 1   17   19   18 o   7.1360   1.9000 -4.182000 3.800000 
1 1 1   17   19   19 o   7.7230   2.0560 -1.316000 4.113000 
1 1 1   17   19   20 o   6.7570   1.9710 -1.309000 3.943000 
1 1 1   17   19   21 o   6.8120   1.9860 0.5698000E-01 3.972000 
1 1 1   17   19   22 o   7.3520   2.0060 3.794000 4.011000 
1 1 1   17   20    0 o   10.790   3.0020 -0.000000 0.000000 
1 1 1   17   20    1 o   15.130   1.6660 -1.086000 3.331000 
1 1 1   17   20    2 o   11.730   2.0650 1.293000 4.130000 
1 1 1   17   20    3 o   13.530   1.8730 -4.363000 3.747000 
1 1 1   17   20    4 o   10.380   2.1460 2.942000 4.292000 
1 1 1   17   20    5 o   11.420   2.1000 0.9993000 4.200000 
1 1 1   17   20    6 o   24.130   1.0500 -1.882000 2.099000 
1 1 1   17   20    7 o   25.940   0.9781 -1.180000 1.956000 
1 1 1   17   20    8 f   14.300   1.7590 -3.537000 3.518000 
1 1 1   17   20    9 o   8.2200   2.1370 -1.752000 4.274000 
1 1 1   17   20   10 o   10.800   2.1230 -2.625000 4.246000 
1 1 1   17   20   11 o   9.5340   2.0890 -4.290000 4.178000 
1 1 1   17   20   12 o   11.270   2.0550 -1.736000 4.111000 
1 1 1   17   20   13 o   11.060   2.0310 -2.585000 4.062000 
1 1 1   17   20   14 o   8.5160   2.0110 -3.818000 4.023000 
1 1 1   17   20   15 o   10.590   2.0670 0.3332000 4.135000 
1 1 1   17   20   16 o   7.0550   1.9950 2.106000 3.991000 
1 1 1   17   20   17 o   7.6690   2.0330 1.793000 4.066000 
1 1 1   17   20   18 o   8.3480   2.1030 -0.5345000 4.207000 
1 1 1   17   20   19 o   7.8190   2.0760 -0.4861000 4.152000 
1 1 1   17   20   20 o   7.2040   1.9350 3.030000 3.870000 
1 1 1   17   21    0 o   10.460   3.0770 -0.000000 0.000000 
1 1 1   17   21    1 o   14.080   1.7900 1.193000 3.579000 
1 1 1   17   21    2 o   12.760   1.9920 -2.395000 3.985000 
1 1 1   17   21    3 o   10.490   1.8590 -8.484000 3.718000 
1 1 1   17   21    4 o   10.300   2.1910 2.476000 4.381000 
1 1 1   17   21    5 o   21.640   1.1720 -2.918000 2.344000 
1 1 1   17   21    6 o   10.160   2.1710 -3.081000 4.342000 
1 1 1   17   21    7 o   7.7060   2.1370 1.954000 4.273000 
1 1 1   17   21    8 o   8.7450   2.1630 2.729000 4.327000 
1 1 1   17   21    9 o   14.850   1.7260 2.645000 3.453000 
1 1 1   17   21   10 o   8.1290   2.0870 -3.532000 4.174000 
1 1 1   17   21   11 o   8.5480   2.1410 -1.370000 4.281000 
1 1 1   17   21   12 o   6.1780   1.8970 1.976000 3.793000 
1 1 1   17   21   13 o   8.5640   2.0650 3.039000 4.130000 
1 1 1   17   21   14 o   7.3380   2.0470 0.7000000 4.095000 
1 1 1   17   21   15 o   8.1950   2.0800 2.097000 4.160000 
1 1 1   17   21   16 o   8.5930   2.1100 -0.6257000 4.219000 
1 1 1   17   21   17 o   6.5910   1.8840 3.164000 3.768000 
1 1 1   17   21   18 o   6.5500   1.9230 1.074000 3.846000 
1 1 1   17   22    0 o   5.3140   2.5070 -0.000000 0.000000 
1 1 1   17   22    1 o   9.6240   2.2280 -0.5055000E-01 4.456000 
1 1 1   17   22    2 o   10.310   2.1260 -3.932000 4.251000 
1 1 1   17   22    3 o   7.0290   2.0480 -2.428000 4.096000 
1 1 1   17   22    4 f   8.5660   2.1440 -3.141000 4.289000 
1 1 1   17   22    5 o   10.220   2.1420 3.008000 4.283000 
1 1 1   17   22    6 o   11.130   2.1200 -1.433000 4.239000 
1 1 1   17   22    7 o   16.080   1.6020 3.790000 3.205000 
1 1 1   17   22    8 o   9.6740   2.1880 -0.2827000 4.375000 
1 1 1   17   22    9 o   16.430   1.4690 0.4748000 2.938000 
1 1 1   17   22   10 o   7.1320   2.0310 1.345000 4.062000 
1 1 1   17   22   11 o   9.4010   1.9850 4.970000 3.970000 
1 1 1   17   22   12 o   6.4830   1.9370 -1.629000 3.875000 
1 1 1   17   22   13 o   9.9270   2.0640 -1.014000 4.128000 
1 1 1   17   22   14 o   10.590   1.9460 -3.193000 3.892000 
1 1 1   17   22   15 o   6.1870   1.8510 2.330000 3.702000 
1 1 1   17   22   16 o   7.1030   2.0090 0.3246000 4.018000 
1 1 1   17   23    0 o   12.640   2.9520 -0.000000 0.000000 
1 1 1   17   23    1 o   5.8470   1.8780 -2.100000 3.756000 
1 1 1   17   23    2 o   9.7620   2.2310 0.6505000 4.461000 
1 1 1   17   23    3 o   7.6760   2.0830 -3.475000 4.165000 
1 1 1   17   23    4 o   7.8530   2.1450 2.331000 4.289000 
1 1 1   17   23    5 o   7.1310   2.0830 1.333000 4.167000 
1 1 1   17   23    6 o   7.3770   2.0230 3.563000 4.047000 
1 1 1   17   23    7 o   6.9260   2.0140 -2.290000 4.027000 
1 1 1   17   23    8 o   6.9690   2.0170 -1.922000 4.034000 
1 1 1   17   23    9 o   6.0230   1.8200 -3.348000 3.640000 
1 1 1   17   23   10 o   11.750   1.8810 4.328000 3.761000 
1 1 1   17   23   11 f   11.000   1.8920 -4.181000 3.784000 
1 1 1   17   23   12 o   6.8140   1.9410 -1.114000 3.881000 
1 1 1   17   24    0 f   12.310   2.8760 -0.000000 0.000000 
1 1 1   17   24    1 o   5.2990   1.7650 -0.4016000 3.530000 
1 1 1   17   24    2 o   9.7240   2.1830 -1.481000 4.365000 
1 1 1   17   24    3 o   5.1980   1.7360 -0.6708000 3.473000 
1 1 1   17   24    4 o   6.5980   1.9920 1.264000 3.985000 
1 1 1   17   24    5 o   5.3110   1.7510 -1.287000 3.502000 
1 1 1   17   24    6 o   10.200   2.0940 -0.6981000E-01 4.189000 
1 1 1   17   24    7 o   5.7280   1.8180 1.374000 3.636000 
1 1 1   17   24    8 o   6.8890   1.9570 -2.798000 3.913000 
1 1 1   18    0    0 o  131.100   1.9320 -0.000000 0.000000 
1 1 1   18    0    1 o   74.890   0.7872 -0.000000 0.000000 
1 1 1   18    0    2 o   47.020   0.5095 -0.000000 0.000000 
1 1 1   18    0    3 o   33.850   0.3946 -0.000000 0.000000 
1 1 1   18    0    4 o   4.7960   1.2070 -0.000000 0.000000 
1 1 1   18    0    5 o  101.200   1.2210 -0.000000 0.000000 
1 1 1   18    0    6 o   34.430   0.4599 -0.000000 0.000000 
1 1 1   18    0    7 o  134.800   1.6240 -0.000000 0.000000 
1 1 1   18    0    8 o   37.530   0.4880 -0.000000 0.000000 
1 1 1   18    0    9 o   63.800   0.7795 -0.000000 0.000000 
1 1 1   18    0   10 o   22.060   0.3831 -0.000000 0.000000 
1 1 1   18    0   11 o   66.840   1.0040 -0.000000 0.000000 
1 1 1   18    0   12 o   22.500   0.5139 -0.000000 0.000000 
1 1 1   18    0   13 o   45.860   0.7183 -0.000000 0.000000 
1 1 1   18    0   14 o   47.390   0.7408 -0.000000 0.000000 
1 1 1   18    0   15 o   34.890   0.6009 -0.000000 0.000000 
1 1 1   18    0   16 o   23.710   0.9255 -0.000000 0.000000 
1 1 1   18    0   17 o   9.5820   1.9520 -0.000000 0.000000 
1 1 1   18    0   18 o   13.360   1.5070 -0.000000 0.000000 
1 1 1   18    0   19 f   43.530   1.0590 -0.000000 0.000000 
1 1 1   18    0   20 o   5.7770   2.3560 -0.000000 0.000000 
1 1 1   18    0   21 o   5.8550   2.4260 -0.000000 0.000000 
1 1 1   18    0   22 o   7.0880   2.6400 -0.000000 0.000000 
1 1 1   18    0   23 o   43.950   1.1310 -0.000000 0.000000 
1 1 1   18    0   24 o   35.910   1.1230 -0.000000 0.000000 
1 1 1   18    0   25 o   27.530   1.2790 -0.000000 0.000000 
1 1 1   18    0   26 f   6.4640   2.8030 -0.000000 0.000000 
1 1 1   18    0   27 o   18.350   2.0150 -0.000000 0.000000 
1 1 1   18    0   28 o   30.830   1.3760 -0.000000 0.000000 
1 1 1   18    0   29 o   5.6890   2.6740 -0.000000 0.000000 
1 1 1   18    0   30 o   14.150   2.8740 -0.000000 0.000000 
1 1 1   18    0   31 o   10.070   3.4130 -0.000000 0.000000 
1 1 1   18    0   32 o   15.620   2.8520 -0.000000 0.000000 
1 1 1   18    0   33 o   6.3030   2.8980 -0.000000 0.000000 
1 1 1   18    0   34 o   7.1780   3.0770 -0.000000 0.000000 
1 1 1   18    0   35 o   13.130   3.1180 -0.000000 0.000000 
1 1 1   18    1    0 o   41.950   0.6542 -0.000000 0.000000 
1 1 1   18    1    1 o   54.740   0.5852 5.703000 1.170000 
1 1 1   18    1    2 o   54.160   0.5798 -6.809000 1.160000 
1 1 1   18    1    3 o   13.320   0.5814      ?      ? 
1 1 1   18    1    4 o   45.870   0.4999 -3.709000 0.9999000 
1 1 1   18    1    5 f   39.270   0.4468 12.62000 0.8936000 
1 1 1   18    1    6 o  194.000   2.0210 1.080000 4.041000 
1 1 1   18    1    7 o   64.810   0.6879 -7.066000 1.376000 
1 1 1   18    1    8 o   85.550   0.8978 -0.6073000 1.796000 
1 1 1   18    1    9 o   29.260   0.5312      ?      ? 
1 1 1   18    1   10 o   15.950   0.4126 -0.8067000 0.8252000 
1 1 1   18    1   11 o   85.840   0.9024 -1.700000 1.805000 
1 1 1   18    1   12 o   72.090   0.6991 -2.520000 1.398000 
1 1 1   18    1   13 o   31.410   0.3654 -7.291000 0.7308000 
1 1 1   18    1   14 o   57.920   0.5693 0.9290000E-01 1.139000 
1 1 1   18    1   15 o   35.910   0.4160      ?      ? 
1 1 1   18    1   16 o   13.590   0.5114 -2.710000 1.023000 
1 1 1   18    1   17 o   28.090   0.4454 7.083000 0.8907000 
1 1 1   18    1   18 o   12.900   0.4951 -2.046000 0.9903000 
1 1 1   18    1   19 o   15.970   0.6914 -2.247000 1.383000 
1 1 1   18    1   20 o   8.3390   1.2670 0.9666000 2.533000 
1 1 1   18    1   21 o   39.130   0.6233 -5.883000 1.247000 
1 1 1   18    1   22 o   53.740   0.8827 -4.873000 1.765000 
1 1 1   18    1   23 o   18.620   1.0720 1.538000 2.144000 
1 1 1   18    1   24 o   37.590   0.7925 -2.076000 1.585000 
1 1 1   18    1   25 o   6.8680   2.0000 0.2907000 4.000000 
1 1 1   18    1   26 o   43.360   0.8619 0.5712000E-01 1.724000 
1 1 1   18    1   27 o   30.010   0.9813 -0.4535000 1.963000 
1 1 1   18    1   28 o   5.6400   1.8640 -0.5234000 3.728000 
1 1 1   18    1   29 o   9.7850   2.3100 3.589000 4.619000 
1 1 1   18    1   30 o   18.720   1.6350 0.8338000 3.270000 
1 1 1   18    1   31 o   16.450   1.8950 2.631000 3.789000 
1 1 1   18    1   32 o   22.500   1.3980 -0.3424000E-02 2.795000 
1 1 1   18    1   33 o   19.070   1.6200 -2.926000 3.240000 
1 1 1   18    1   34 o   8.3890   2.2680 0.7207000 4.536000 
1 1 1   18    1   35 o   7.7310   2.1060 -4.880000 4.213000 
1 1 1   18    2    0 o  117.000   1.7280 -0.000000 0.000000 
1 1 1   18    2    1 o   62.250   0.6618 -2.891000 1.324000 
1 1 1   18    2    2 f   75.490   0.7966 10.43000 1.593000 
1 1 1   18    2    3 o   90.110   0.9441 0.6804000 1.888000 
1 1 1   18    2    4 o   49.380   0.5365 -1.333000 1.073000 
1 1 1   18    2    5 o   35.780   0.4199 1.867000 0.8398000 
1 1 1   18    2    6 o  115.900   1.2110 1.730000 2.421000 
1 1 1   18    2    7 o   9.4000   0.6912 0.8841000 1.382000 
1 1 1   18    2    8 o   90.520   0.9503 4.117000 1.901000 
1 1 1   18    2    9 o   86.050   0.9048 4.756000 1.810000 
1 1 1   18    2   10 o   45.450   0.5082 -1.572000 1.016000 
1 1 1   18    2   11 o   24.890   0.4034 4.399000 0.8067000 
1 1 1   18    2   12 o   5.9020   1.0260 -0.1866000 2.052000 
1 1 1   18    2   13 o   46.980   0.5225 5.343000 1.045000 
1 1 1   18    2   14 o   9.5640   0.6510 -1.689000 1.302000 
1 1 1   18    2   15 f   24.200   0.3718 -0.6246000 0.7436000 
1 1 1   18    2   16 o   15.010   0.4815 1.111000 0.9630000 
1 1 1   18    2   17 f   30.230   0.3773 0.5190000 0.7547000 
1 1 1   18    2   18 o   57.550   0.5741 1.113000 1.148000 
1 1 1   18    2   19 o   41.230   0.4942 1.928000 0.9883000 
1 1 1   18    2   20 f   28.590   0.4490 -3.834000 0.8980000 
1 1 1   18    2   21 o   48.110   0.6975 -1.852000 1.395000 
1 1 1   18    2   22 o   23.470   0.7616 5.540000 1.523000 
1 1 1   18    2   23 o   35.390   0.6913      ?      ? 
1 1 1   18    2   24 o   19.000   0.8077      ?      ? 
1 1 1   18    2   25 o   33.510   0.7177      ?      ? 
1 1 1   18    2   26 o   38.940   0.7614      ?      ? 
1 1 1   18    2   27 o   18.320   1.1750 2.681000 2.350000 
1 1 1   18    2   28 f   34.150   0.7560 -2.227000 1.512000 
1 1 1   18    2   29 o   15.330   1.5830 3.986000 3.165000 
1 1 1   18    2   30 o   10.400   1.7450 -1.756000 3.490000 
1 1 1   18    2   31 o   31.480   0.8219 0.1575000 1.644000 
1 1 1   18    2   32 o   15.180   1.6790 4.410000 3.357000 
1 1 1   18    2   33 o   9.6530   1.8010 -1.759000 3.601000 
1 1 1   18    2   34 o   6.6900   1.8400 -3.372000 3.681000 
1 1 1   18    2   35 o   9.2140   1.7140 -2.839000 3.428000 
1 1 1   18    3    0 o   5.6230   1.6200 -0.000000 0.000000 
1 1 1   18    3    1 o  103.300   1.0830 10.60000 2.166000 
1 1 1   18    3    2 o   10.740   0.7891 7.564000 1.578000 
1 1 1   18    3    3 o   87.080   0.9157 5.140000 1.831000 
1 1 1   18    3    4 o   46.530   0.5177 0.3991000 1.035000 
1 1 1   18    3    5 o   43.840   0.4983 -7.570000 0.9967000 
1 1 1   18    3    6 o   17.710   0.4546 -0.9001000 0.9092000 
1 1 1   18    3    7 o   46.830   0.5242 -3.262000 1.048000 
1 1 1   18    3    8 o   21.640   0.4369 -3.792000 0.8738000 
1 1 1   18    3    9 o   86.400   0.9100 -2.472000 1.820000 
1 1 1   18    3   10 o   53.470   0.5337 0.2787000 1.067000 
1 1 1   18    3   11 o   67.590   0.6596 -1.698000 1.319000 
1 1 1   18    3   12 o   25.980   0.3846 4.279000 0.7691000 
1 1 1   18    3   13 o   38.110   0.4268 -6.685000 0.8535000 
1 1 1   18    3   14 o   37.740   0.4221 -3.594000 0.8442000 
1 1 1   18    3   15 o   15.480   0.5221 0.2139000 1.044000 
1 1 1   18    3   16 o   18.930   0.4638 1.727000 0.9275000 
1 1 1   18    3   17 o   43.010   0.4632 -4.591000 0.9264000 
1 1 1   18    3   18 o   39.450   0.4425 1.331000 0.8849000 
1 1 1   18    3   19 o   13.190   0.6763 -4.324000 1.353000 
1 1 1   18    3   20 o   19.210   0.4876 -0.6856000 0.9752000 
1 1 1   18    3   21 o   20.110   0.5244 2.324000 1.049000 
1 1 1   18    3   22 o   50.720   0.5345 -2.429000 1.069000 
1 1 1   18    3   23 o   37.110   0.6208 0.7497000 1.242000 
1 1 1   18    3   24 o   56.240   0.7602 -1.392000 1.520000 
1 1 1   18    3   25 o   12.650   1.3360 -2.587000 2.671000 
1 1 1   18    3   26 o   36.400   0.7479 0.7968000 1.496000 
1 1 1   18    3   27 o   15.280   1.3750 -1.758000 2.749000 
1 1 1   18    3   28 o   31.530   0.8451      ?      ? 
1 1 1   18    3   30 o   14.250   1.5360      ?      ? 
1 1 1   18    3   31 o   8.5970   2.3790      ?      ? 
1 1 1   18    3   32 o   10.380   2.0860      ?      ? 
1 1 1   18    3   33 f   14.640   1.6540 0.7689000 3.309000 
1 1 1   18    3   34 o   13.680   1.6300 -0.9887000 3.260000 
1 1 1   18    3   35 o   10.790   1.8960 -2.866000 3.792000 
1 1 1   18    4    0 o  159.800   2.3560 -0.000000 0.000000 
1 1 1   18    4    1 o  101.400   1.0640 0.1776000 2.128000 
1 1 1   18    4    2 o  156.300   1.6300 2.598000 3.261000 
1 1 1   18    4    3 o   69.670   0.7445 7.091000 1.489000 
1 1 1   18    4    4 o   35.130   0.4503 0.1335000 0.9005000 
1 1 1   18    4    5 o   77.730   0.8240 -0.4187000 1.648000 
1 1 1   18    4    6 o   87.270   0.9220 -11.42000 1.844000 
1 1 1   18    4    7 o   50.860   0.5262 -8.668000 1.052000 
1 1 1   18    4    8 o  102.100   0.9818 -3.698000 1.964000 
1 1 1   18    4    9 o   16.360   0.5235 1.118000 1.047000 
1 1 1   18    4   10 o   64.620   0.6361 -0.4041000 1.272000 
1 1 1   18    4   11 o   62.800   0.6235 -4.333000 1.247000 
1 1 1   18    4   12 o   23.550   0.4276 -1.801000 0.8552000 
1 1 1   18    4   13 o   51.560   0.5324 -4.834000 1.065000 
1 1 1   18    4   14 o   28.260   0.3980 -2.164000 0.7960000 
1 1 1   18    4   15 o   43.240   0.4178 -2.801000 0.8355000 
1 1 1   18    4   16 o   50.330   0.4631 -0.3814000 0.9263000 
1 1 1   18    4   17 o   7.4550   1.0100 4.122000 2.021000 
1 1 1   18    4   18 o   20.790   0.4959 2.635000 0.9917000 
1 1 1   18    4   19 o   33.210   0.4313 0.4438000 0.8627000 
1 1 1   18    4   20 o   38.070   0.4056 -1.725000 0.8111000 
1 1 1   18    4   21 o   24.270   0.4098 5.187000 0.8197000 
1 1 1   18    4   22 o   32.870   0.4354 -2.288000 0.8708000 
1 1 1   18    4   23 o   39.900   0.4257 3.868000 0.8515000 
1 1 1   18    4   24 o   19.900   0.5600 -3.655000 1.120000 
1 1 1   18    4   25 o   24.900   0.4768 -0.8021000 0.9537000 
1 1 1   18    4   26 o   20.930   0.5388 2.821000 1.078000 
1 1 1   18    4   27 o   27.930   0.4891 -1.699000 0.9782000 
1 1 1   18    4   28 o   8.5380   1.3850 2.086000 2.770000 
1 1 1   18    4   29 o   21.820   0.6298 -2.168000 1.260000 
1 1 1   18    4   30 o   27.330   0.5193 -1.521000 1.039000 
1 1 1   18    4   31 o   13.800   1.1440 -3.495000 2.288000 
1 1 1   18    4   32 o   26.860   0.6396 -2.866000 1.279000 
1 1 1   18    4   33 o   6.4950   1.5930 2.193000 3.186000 
1 1 1   18    4   34 o   12.770   1.8140      ?      ? 
1 1 1   18    4   35 o   13.590   1.6540      ?      ? 
1 1 1   18    5    0 o   22.390   0.7043 -0.000000 0.000000 
1 1 1   18    5    1 o   35.820   0.4676 -3.012000 0.9352000 
1 1 1   18    5    2 o   61.640   0.6720 0.6841000 1.344000 
1 1 1   18    5    3 o   24.450   0.5031 -13.06000 1.006000 
1 1 1   18    5    4 o   77.080   0.7516 -2.745000 1.503000 
1 1 1   18    5    5 o   32.550   0.4287 -6.229000 0.8574000 
1 1 1   18    5    6 o   97.250   0.9367 -2.458000 1.873000 
1 1 1   18    5    7 o   81.700   0.7920 -1.115000 1.584000 
1 1 1   18    5    8 o   37.190   0.4885 1.309000 0.9771000 
1 1 1   18    5    9 o   68.410   0.6021 -4.350000 1.204000 
1 1 1   18    5   10 o   80.710   0.6998 -2.469000 1.400000 
1 1 1   18    5   11 o   25.310   0.4540 -1.069000 0.9081000 
1 1 1   18    5   12 o   24.960   0.3943 8.345000 0.7886000 
1 1 1   18    5   13 o   19.420   0.4493 1.099000 0.8987000 
1 1 1   18    5   14 o   63.450   0.5631 -1.217000 1.126000 
1 1 1   18    5   15 o   50.440   0.4705 -1.116000 0.9409000 
1 1 1   18    5   16 o   15.450   0.6497 -0.8390000 1.299000 
1 1 1   18    5   17 o   14.240   0.6280 -2.228000 1.256000 
1 1 1   18    5   18 o   30.420   0.4051 -0.4368000 0.8102000 
1 1 1   18    5   19 o   47.370   0.4645 -2.424000 0.9290000 
1 1 1   18    5   20 o   20.570   0.5104 4.756000 1.021000 
1 1 1   18    5   21 o   23.700   0.5127 -0.1701000 1.025000 
1 1 1   18    5   22 o   20.000   0.5859 1.252000 1.172000 
1 1 1   18    5   23 o   22.220   0.5030 -0.9369000 1.006000 
1 1 1   18    5   24 o   12.750   0.9736 -4.541000 1.947000 
1 1 1   18    5   25 o   26.980   0.4733 1.597000 0.9466000 
1 1 1   18    5   26 o   6.8970   1.5320 -0.7107000 3.064000 
1 1 1   18    5   27 o   38.360   0.5811 2.872000 1.162000 
1 1 1   18    5   28 o   16.660   0.8205 0.9740000 1.641000 
1 1 1   18    5   29 o   13.990   0.9692 0.7635000 1.938000 
1 1 1   18    5   30 o   26.570   0.5914 -0.1763000 1.183000 
1 1 1   18    5   31 o   12.570   1.1090 -4.973000 2.218000 
1 1 1   18    5   32 o   12.120   1.1530 0.5034000 2.305000 
1 1 1   18    5   33 o   8.3690   1.5310 0.6138000 3.062000 
1 1 1   18    5   34 o   8.7540   1.3860 3.339000 2.773000 
1 1 1   18    6    0 o   90.310   1.1030 -0.000000 0.000000 
1 1 1   18    6    1 o   87.690   0.7582 1.290000 1.516000 
1 1 1   18    6    2 o   75.900   0.7442 -1.774000 1.488000 
1 1 1   18    6    3 o  102.700   0.9892 -1.768000 1.978000 
1 1 1   18    6    4 o   83.290   0.7233 -2.193000 1.447000 
1 1 1   18    6    5 o   62.050   0.5554 -2.797000 1.111000 
1 1 1   18    6    6 o   37.770   0.4050 -0.8121000E-01 0.8101000 
1 1 1   18    6    7 o   80.020   0.6965 -5.876000 1.393000 
1 1 1   18    6    8 o   55.540   0.5098 -6.579000 1.020000 
1 1 1   18    6    9 o   30.410   0.3994 3.027000 0.7987000 
1 1 1   18    6   10 o   53.980   0.4990 -2.460000 0.9980000 
1 1 1   18    6   11 o   14.650   0.6242 -1.725000 1.248000 
1 1 1   18    6   12 o   33.330   0.4049 2.606000 0.8099000 
1 1 1   18    6   13 o   63.620   0.5701 -0.4054000 1.140000 
1 1 1   18    6   14 o   36.900   0.4580 4.149000 0.9160000 
1 1 1   18    6   15 o   17.180   0.6660 0.7449000 1.332000 
1 1 1   18    6   16 o   52.450   0.4954 -3.023000 0.9908000 
1 1 1   18    6   17 o   11.680   0.8534 1.021000 1.707000 
1 1 1   18    6   18 o   30.000   0.4907 -4.574000 0.9813000 
1 1 1   18    6   19 o   41.830   0.4463 -0.5551000 0.8925000 
1 1 1   18    6   20 o   25.330   0.4792 1.084000 0.9585000 
1 1 1   18    6   21 o   27.900   0.4672 0.4956000E-01 0.9343000 
1 1 1   18    6   22 o   28.890   0.5344 1.072000 1.069000 
1 1 1   18    6   23 o   41.480   0.4674 0.7207000E-01 0.9349000 
1 1 1   18    6   24 o   35.010   0.5218 1.202000 1.044000 
1 1 1   18    6   25 o   8.9310   1.4970 -3.633000 2.993000 
1 1 1   18    6   26 o   29.220   0.5179 -2.971000 1.036000 
1 1 1   18    6   27 o   43.250   0.6187 1.013000 1.237000 
1 1 1   18    6   28 o   22.410   0.7058 -2.526000 1.412000 
1 1 1   18    6   29 o   32.580   0.5807 -2.584000 1.161000 
1 1 1   18    6   30 o   11.050   1.4050 -0.5273000 2.810000 
1 1 1   18    6   31 o   10.060   1.5100 0.6477000 3.020000 
1 1 1   18    6   32 o   26.440   0.6271 0.2362000E-01 1.254000 
1 1 1   18    6   33 o   5.1550   1.5500 -2.377000 3.099000 
1 1 1   18    6   34 o   17.660   0.8645 0.7589000 1.729000 
1 1 1   18    7    0 o  161.000   1.9410 -0.000000 0.000000 
1 1 1   18    7    1 o   33.920   0.3881 -5.103000 0.7763000 
1 1 1   18    7    2 o   59.790   0.5087 0.8938000 1.017000 
1 1 1   18    7    3 o   80.120   0.6512 -9.144000 1.302000 
1 1 1   18    7    4 o   34.160   0.3900 -2.786000 0.7799000 
1 1 1   18    7    5 o   22.080   0.4434 3.814000 0.8869000 
1 1 1   18    7    6 o   67.270   0.5997 2.588000 1.199000 
1 1 1   18    7    7 o   20.560   0.5320 -7.575000 1.064000 
1 1 1   18    7    8 o   55.550   0.5807 -2.439000 1.161000 
1 1 1   18    7    9 o   71.830   0.6346 0.6195000 1.269000 
1 1 1   18    7   10 o   25.230   0.5221 -0.7376000 1.044000 
1 1 1   18    7   11 o   42.930   0.4449 -0.3602000 0.8899000 
1 1 1   18    7   12 o   29.910   0.4445 -3.445000 0.8889000 
1 1 1   18    7   13 o   29.760   0.5026 -2.931000 1.005000 
1 1 1   18    7   14 o   22.110   0.5206 -3.450000 1.041000 
1 1 1   18    7   15 o   19.610   0.6548 -1.188000 1.310000 
1 1 1   18    7   16 o   13.660   0.9072 -0.3670000 1.814000 
1 1 1   18    7   17 o   5.8110   1.4950 2.972000 2.991000 
1 1 1   18    7   18 o   42.590   0.4668 -1.201000 0.9337000 
1 1 1   18    7   19 o   58.180   0.5498 4.213000 1.100000 
1 1 1   18    7   20 o   18.900   0.7463 2.729000 1.493000 
1 1 1   18    7   21 o   5.7160   1.4630 2.305000 2.926000 
1 1 1   18    7   22 o   53.720   0.5300 2.713000 1.060000 
1 1 1   18    7   23 o   26.670   0.5445 -0.2276000 1.089000 
1 1 1   18    7   24 o   20.230   0.6779 -0.9576000 1.356000 
1 1 1   18    7   25 o   13.900   0.9978 1.004000 1.996000 
1 1 1   18    7   26 o   38.570   0.5158 0.4924000 1.032000 
1 1 1   18    7   27 o   38.260   0.5737 -0.5419000 1.147000 
1 1 1   18    7   28 f   21.960   0.7010 -1.926000 1.402000 
1 1 1   18    7   29 o   17.810   1.2090 8.580000 2.418000 
1 1 1   18    7   30 o   5.4680   1.6400 -2.277000 3.280000 
1 1 1   18    7   31 o   29.790   0.6352 -1.084000 1.270000 
1 1 1   18    7   32 o   8.0870   1.6200 4.015000 3.239000 
1 1 1   18    7   33 o   4.8240   1.5390 -1.668000 3.078000 
1 1 1   18    7   34 o   5.6480   1.6510 -0.7980000 3.302000 
1 1 1   18    8    0 o   44.770   0.5600 -0.000000 0.000000 
1 1 1   18    8    1 o   32.540   0.4064 1.930000 0.8127000 
1 1 1   18    8    2 o   24.380   0.4192 -0.6096000 0.8384000 
1 1 1   18    8    3 o   57.250   0.4974 -1.795000 0.9948000 
1 1 1   18    8    4 o   10.220   1.1230 -5.687000 2.247000 
1 1 1   18    8    5 o   89.890   0.7301 -3.380000 1.460000 
1 1 1   18    8    6 o   46.990   0.4424 -2.182000 0.8848000 
1 1 1   18    8    7 o   31.570   0.4932 -1.897000 0.9864000 
1 1 1   18    8    8 o   40.680   0.4269 -8.470000 0.8537000 
1 1 1   18    8    9 o   30.710   0.4339 1.267000 0.8678000 
1 1 1   18    8   10 o   26.930   0.4570 1.236000 0.9139000 
1 1 1   18    8   11 o   30.400   0.4511 -5.028000 0.9021000 
1 1 1   18    8   12 o   59.630   0.5556 -0.5607000 1.111000 
1 1 1   18    8   13 o   15.540   0.7057 0.4309000 1.411000 
1 1 1   18    8   14 o   17.570   0.7408 5.834000 1.482000 
1 1 1   18    8   15 o   16.580   0.7079 -0.3373000 1.416000 
1 1 1   18    8   16 o   32.360   0.4742 4.620000 0.9483000 
1 1 1   18    8   17 o   28.170   0.5696 -1.247000 1.139000 
1 1 1   18    8   18 f   14.460   1.0250 0.9663000E-01 2.049000 
1 1 1   18    8   19 o   27.520   0.6108 -0.6040000 1.222000 
1 1 1   18    8   20 o   28.010   0.5395 2.013000 1.079000 
1 1 1   18    8   21 o   32.650   0.5107 0.2209000 1.021000 
1 1 1   18    8   22 o   40.850   0.5096 -0.5638000 1.019000 
1 1 1   18    8   23 o   36.500   0.5217 -0.4330000 1.043000 
1 1 1   18    8   24 f   14.210   1.1350 5.100000 2.270000 
1 1 1   18    8   25 o   30.920   0.5807 3.533000 1.161000 
1 1 1   18    8   26 o   17.040   1.0650 -2.069000 2.129000 
1 1 1   18    8   27 o   21.150   0.7748 0.1070000 1.550000 
1 1 1   18    8   28 o   16.110   1.0330 0.1739000 2.065000 
1 1 1   18    8   29 o   12.560   1.3200 -2.891000 2.641000 
1 1 1   18    8   30 o   32.380   0.6436 -0.1211000 1.287000 
1 1 1   18    8   31 o   10.930   1.5550 -2.872000 3.110000 
1 1 1   18    8   32 o   4.9970   1.5760 0.4568000E-01 3.152000 
1 1 1   18    8   33 o   9.2640   1.6840 -0.8879000 3.367000 
1 1 1   18    9    0 o   48.970   0.6100 -0.000000 0.000000 
1 1 1   18    9    1 o   32.700   0.4118 -2.342000 0.8236000 
1 1 1   18    9    2 o   45.820   0.4184 -0.7095000 0.8367000 
1 1 1   18    9    3 o   15.030   0.6925 2.718000 1.385000 
1 1 1   18    9    4 o   37.290   0.4014 1.946000 0.8029000 
1 1 1   18    9    5 o   27.110   0.4768 0.5178000 0.9537000 
1 1 1   18    9    6 o   38.990   0.4379 1.041000 0.8759000 
1 1 1   18    9    7 o   31.860   0.4546 4.728000 0.9092000 
1 1 1   18    9    8 o   16.640   0.7058 -0.7172000 1.412000 
1 1 1   18    9    9 o   29.790   0.4621 4.242000 0.9243000 
1 1 1   18    9   10 o   25.210   0.5489 6.131000 1.098000 
1 1 1   18    9   11 o   21.820   0.5717 0.7142000E-01 1.143000 
1 1 1   18    9   12 o   7.1250   1.4770 -1.751000 2.954000 
1 1 1   18    9   13 o   27.390   0.4852 4.274000 0.9703000 
1 1 1   18    9   14 o   16.610   0.8929 -2.138000 1.786000 
1 1 1   18    9   15 o   32.100   0.4702 2.124000 0.9404000 
1 1 1   18    9   16 o   19.620   0.6554 -1.636000 1.311000 
1 1 1   18    9   17 o   45.160   0.4714 -2.362000 0.9427000 
1 1 1   18    9   18 o   24.350   0.5779 2.111000 1.156000 
1 1 1   18    9   19 o   30.240   0.5939 0.4787000 1.188000 
1 1 1   18    9   20 o   29.530   0.6279 -4.325000 1.256000 
1 1 1   18    9   21 o   25.830   0.6831 -1.735000 1.366000 
1 1 1   18    9   22 o   36.380   0.5193 -0.3392000 1.039000 
1 1 1   18    9   23 o   17.950   0.8693 3.019000 1.739000 
1 1 1   18    9   24 o   20.060   0.9587 -0.7802000 1.917000 
1 1 1   18    9   25 o   35.850   0.6024 1.332000 1.205000 
1 1 1   18    9   26 o   23.600   0.7386 1.755000 1.477000 
1 1 1   18    9   27 o   27.270   0.6574 -0.1607000 1.315000 
1 1 1   18    9   28 o   10.590   1.5590 6.453000 3.119000 
1 1 1   18    9   29 o   16.020   1.0630 0.9333000 2.125000 
1 1 1   18    9   30 o   12.220   1.3870 3.156000 2.774000 
1 1 1   18    9   31 o   18.110   1.0640 -3.116000 2.128000 
1 1 1   18    9   32 o   11.770   1.4240 -0.1924000 2.848000 
1 1 1   18    9   33 o   7.5110   1.7370 -2.875000 3.474000 
1 1 1   18   10    0 o   35.170   0.5981 -0.000000 0.000000 
1 1 1   18   10    1 o   14.430   0.7739 2.147000 1.548000 
1 1 1   18   10    2 o   45.130   0.4619 -2.930000 0.9238000 
1 1 1   18   10    3 o   28.160   0.4629 -3.328000 0.9258000 
1 1 1   18   10    4 o   45.290   0.4333 -5.392000 0.8667000 
1 1 1   18   10    5 o   47.590   0.4389 -1.852000 0.8779000 
1 1 1   18   10    6 o   37.760   0.4224 -3.370000 0.8449000 
1 1 1   18   10    7 o   38.860   0.4565 -1.430000 0.9130000 
1 1 1   18   10    8 o   39.800   0.4658 -6.252000 0.9316000 
1 1 1   18   10    9 o   16.440   0.8539 3.374000 1.708000 
1 1 1   18   10   10 o   31.930   0.4797 -0.2210000E-01 0.9593000 
1 1 1   18   10   11 o   22.520   0.5912 -0.3391000 1.182000 
1 1 1   18   10   12 o   8.4420   1.4550 3.192000 2.910000 
1 1 1   18   10   13 o   17.550   0.8689 -1.503000 1.738000 
1 1 1   18   10   14 o   18.240   0.7270 0.5469000 1.454000 
1 1 1   18   10   15 o   32.710   0.4923 2.221000 0.9846000 
1 1 1   18   10   16 o   17.450   0.9146 -0.1246000 1.829000 
1 1 1   18   10   17 o   27.270   0.5713 -0.7646000E-01 1.143000 
1 1 1   18   10   18 o   38.100   0.5053 -1.959000 1.011000 
1 1 1   18   10   19 o   25.700   0.7243 -1.262000 1.449000 
1 1 1   18   10   20 o   40.210   0.5160 1.145000 1.032000 
1 1 1   18   10   21 o   6.8660   1.8500 0.7925000 3.700000 
1 1 1   18   10   22 o   35.750   0.5520 -1.875000 1.104000 
1 1 1   18   10   23 o   19.600   0.8892 3.421000 1.778000 
1 1 1   18   10   24 o   19.020   1.1490 -5.111000 2.298000 
1 1 1   18   10   25 o   24.740   0.7504 1.581000 1.501000 
1 1 1   18   10   26 f   34.760   0.5976 0.5402000 1.195000 
1 1 1   18   10   27 o   12.430   1.4970 -2.111000 2.995000 
1 1 1   18   10   28 o   22.120   0.8472 0.9191000 1.694000 
1 1 1   18   10   29 o   20.520   0.8978 -0.8541000 1.796000 
1 1 1   18   10   30 o   13.350   1.2900 -0.1650000 2.579000 
1 1 1   18   10   31 o   6.5100   1.7550 -0.5732000 3.511000 
1 1 1   18   10   32 o   6.0280   1.5800 -3.431000 3.161000 
1 1 1   18   11    0 o   28.760   0.6776 -0.000000 0.000000 
1 1 1   18   11    1 o   17.810   0.6802 0.5311000 1.360000 
1 1 1   18   11    2 o   25.550   0.5100 1.998000 1.020000 
1 1 1   18   11    3 o   22.880   0.5536 2.498000 1.107000 
1 1 1   18   11    4 o   9.7750   1.2660 -1.901000 2.531000 
1 1 1   18   11    5 o   15.690   0.7707 -1.001000 1.541000 
1 1 1   18   11    6 o   15.470   0.8088 -2.035000 1.618000 
1 1 1   18   11    7 o   14.600   0.8654 -1.911000 1.731000 
1 1 1   18   11    8 o   9.0660   1.3630 4.245000 2.727000 
1 1 1   18   11    9 o   26.190   0.5183 0.8672000 1.037000 
1 1 1   18   11   10 o   17.790   0.9009 2.926000 1.802000 
1 1 1   18   11   11 o   29.050   0.5389 3.348000 1.078000 
1 1 1   18   11   12 o   24.880   0.6550 4.217000 1.310000 
1 1 1   18   11   13 o   23.970   0.7477 -2.627000 1.495000 
1 1 1   18   11   14 o   28.990   0.5578 1.784000 1.116000 
1 1 1   18   11   15 f   30.240   0.6523 -0.7603000 1.305000 
1 1 1   18   11   16 o   23.800   0.7012 3.089000 1.402000 
1 1 1   18   11   17 o   23.940   0.6770 1.455000 1.354000 
1 1 1   18   11   18 o   39.810   0.5306 3.166000 1.061000 
1 1 1   18   11   19 o   13.550   1.2440 4.098000 2.488000 
1 1 1   18   11   20 o   25.280   0.6976 1.467000 1.395000 
1 1 1   18   11   21 o   56.560   0.5647 -1.199000 1.129000 
1 1 1   18   11   22 o   14.110   1.2970 0.9651000E-03 2.593000 
1 1 1   18   11   23 o   13.000   1.5030 7.346000 3.005000 
1 1 1   18   11   24 o   27.590   0.7419 -2.329000 1.484000 
1 1 1   18   11   25 o   23.340   0.8450 0.7993000 1.690000 
1 1 1   18   11   26 o   20.000   0.9778 0.5520000 1.956000 
1 1 1   18   11   27 o   17.610   1.1180 -1.582000 2.237000 
1 1 1   18   11   28 o   14.190   1.3870 0.9224000E-01 2.775000 
1 1 1   18   11   29 o   15.610   1.2000 -0.8519000 2.401000 
1 1 1   18   11   30 o   18.860   0.9659 0.3157000 1.932000 
1 1 1   18   11   31 o   8.6250   1.7820 -2.432000 3.565000 
1 1 1   18   12    0 o   9.1990   2.0260 -0.000000 0.000000 
1 1 1   18   12    1 o   30.540   0.4969 -0.4123000 0.9937000 
1 1 1   18   12    2 o   29.810   0.5116 -3.537000 1.023000 
1 1 1   18   12    3 o   46.870   0.4642 2.355000 0.9285000 
1 1 1   18   12    4 o   18.870   0.7020 -0.7199000 1.404000 
1 1 1   18   12    5 o   36.520   0.4677 1.721000 0.9353000 
1 1 1   18   12    6 o   22.210   0.6339 1.348000 1.268000 
1 1 1   18   12    7 o   7.5400   1.5530 -2.510000 3.107000 
1 1 1   18   12    8 o   34.100   0.4845 -3.390000 0.9690000 
1 1 1   18   12    9 o   50.370   0.4775 -0.4065000 0.9550000 
1 1 1   18   12   10 o   16.070   0.8567 -0.4527000E-01 1.713000 
1 1 1   18   12   11 o   18.680   0.8830 -1.800000 1.766000 
1 1 1   18   12   12 o   16.830   0.9143 2.002000 1.829000 
1 1 1   18   12   13 o   29.140   0.5915 0.8684000E-01 1.183000 
1 1 1   18   12   14 o   24.030   0.8203 -1.927000 1.641000 
1 1 1   18   12   15 o   18.830   0.8584 2.908000 1.717000 
1 1 1   18   12   16 o   19.460   0.8688 -0.4955000 1.738000 
1 1 1   18   12   17 o   10.190   1.6770 -0.6670000 3.354000 
1 1 1   18   12   18 o   40.000   0.5613 1.057000 1.123000 
1 1 1   18   12   19 o   15.000   1.2120 -0.9629000 2.424000 
1 1 1   18   12   20 o   12.580   1.7260 1.769000 3.451000 
1 1 1   18   12   21 o   23.570   0.8290 -2.530000 1.658000 
1 1 1   18   12   22 o   17.850   1.0890 -0.2683000 2.177000 
1 1 1   18   12   23 o   11.560   1.7290 -4.807000 3.458000 
1 1 1   18   12   24 o   23.160   0.9006 1.331000 1.801000 
1 1 1   18   12   25 o   5.8320   1.8030 0.8939000 3.607000 
1 1 1   18   12   26 o   10.230   1.8750 3.727000 3.751000 
1 1 1   18   12   27 o   11.180   1.7620 6.015000 3.525000 
1 1 1   18   12   28 o   12.120   1.6860 -2.326000 3.372000 
1 1 1   18   12   29 o   5.6250   1.7380 -0.7864000 3.475000 
1 1 1   18   12   30 o   9.4680   1.6570 -6.212000 3.313000 
1 1 1   18   12   31 o   7.9660   1.9370 0.2504000 3.874000 
1 1 1   18   13    0 o   7.6730   2.3290 -0.000000 0.000000 
1 1 1   18   13    1 o   30.070   0.5327 -1.354000 1.065000 
1 1 1   18   13    2 o   10.460   1.4160 -1.996000 2.832000 
1 1 1   18   13    3 o   7.9610   1.5010 4.915000 3.002000 
1 1 1   18   13    4 o   30.120   0.5392 0.7649000 1.078000 
1 1 1   18   13    5 o   12.080   1.2240 1.877000 2.448000 
1 1 1   18   13    6 o   36.600   0.5018 0.3213000 1.004000 
1 1 1   18   13    7 o   15.420   0.9869 3.347000 1.974000 
1 1 1   18   13    8 o   35.850   0.5036 -0.3722000 1.007000 
1 1 1   18   13    9 o   45.050   0.4888 -0.5682000E-01 0.9776000 
1 1 1   18   13   10 o   14.780   1.0750 -3.994000 2.150000 
1 1 1   18   13   11 f   29.690   0.6211 -1.441000 1.242000 
1 1 1   18   13   12 o   21.710   0.8097 4.622000 1.619000 
1 1 1   18   13   13 o   29.750   0.6238 1.268000 1.248000 
1 1 1   18   13   14 o   9.0030   1.7930 2.598000 3.586000 
1 1 1   18   13   15 o   21.210   0.8488 -2.208000 1.698000 
1 1 1   18   13   16 f   18.540   1.2700 -5.425000 2.539000 
1 1 1   18   13   17 o   13.270   1.4090 0.7155000 2.818000 
1 1 1   18   13   18 o   8.7480   1.9260 2.010000 3.852000 
1 1 1   18   13   19 o   15.620   1.2440 0.6572000 2.488000 
1 1 1   18   13   20 o   15.380   1.3230 0.6896000 2.645000 
1 1 1   18   13   21 o   32.310   0.6965 2.995000 1.393000 
1 1 1   18   13   22 o   13.730   1.5590 0.8924000 3.118000 
1 1 1   18   13   23 o   7.0960   1.9840 0.6809000 3.968000 
1 1 1   18   13   24 o   11.900   1.7860 -5.351000 3.573000 
1 1 1   18   13   25 o   15.530   1.4160 -1.117000 2.831000 
1 1 1   18   13   26 o   7.3500   1.9970 -1.058000 3.994000 
1 1 1   18   13   27 o   13.490   1.5980 2.348000 3.195000 
1 1 1   18   13   28 o   13.740   1.5370 2.857000 3.073000 
1 1 1   18   13   29 o   6.5150   1.8590 -1.452000 3.717000 
1 1 1   18   13   30 o   8.8230   1.9140 2.944000 3.829000 
1 1 1   18   14    0 o   41.600   0.7221 -0.000000 0.000000 
1 1 1   18   14    1 o   42.970   0.5016 1.379000 1.003000 
1 1 1   18   14    2 o   35.690   0.5336 -2.851000 1.067000 
1 1 1   18   14    3 o   40.840   0.5051 2.309000 1.010000 
1 1 1   18   14    4 o   30.550   0.5746 1.982000 1.149000 
1 1 1   18   14    5 o   21.500   0.7662 -3.867000 1.532000 
1 1 1   18   14    6 o   40.070   0.5191 -2.476000 1.038000 
1 1 1   18   14    7 o   45.470   0.5127 1.322000 1.025000 
1 1 1   18   14    8 o   9.2390   1.6890 2.564000 3.378000 
1 1 1   18   14    9 o   25.520   0.6703 -0.6757000 1.341000 
1 1 1   18   14   10 o   31.860   0.5785 -0.7761000 1.157000 
1 1 1   18   14   11 o   31.810   0.5833 -0.2509000 1.167000 
1 1 1   18   14   12 o   14.020   1.2170 -2.547000 2.434000 
1 1 1   18   14   13 o   13.520   1.2580 -0.6703000 2.517000 
1 1 1   18   14   14 o   19.770   0.8974 0.5448000 1.795000 
1 1 1   18   14   15 o   19.580   1.2070 -0.8435000 2.414000 
1 1 1   18   14   16 o   26.020   0.7967 -3.551000 1.593000 
1 1 1   18   14   17 o   17.710   1.1320 -0.4248000 2.265000 
1 1 1   18   14   18 o   22.530   0.9230 1.767000 1.846000 
1 1 1   18   14   19 o   10.150   1.9120 3.172000 3.825000 
1 1 1   18   14   20 o   9.8830   1.9110 4.846000 3.823000 
1 1 1   18   14   21 o   7.9460   1.9350 -3.674000 3.871000 
1 1 1   18   14   22 o   11.330   1.9400 -0.8818000E-01 3.879000 
1 1 1   18   14   23 o   10.210   2.0630 1.418000 4.125000 
1 1 1   18   14   24 o   7.8070   2.0660 -0.9322000 4.132000 
1 1 1   18   14   25 o   6.9150   1.9920 -0.7307000 3.984000 
1 1 1   18   14   26 o   9.8350   1.9850 2.294000 3.971000 
1 1 1   18   14   27 o   11.550   2.0790 4.083000 4.159000 
1 1 1   18   14   28 o   13.290   1.5930 -2.205000 3.185000 
1 1 1   18   14   29 o   8.5140   1.9870 -0.3013000 3.975000 
1 1 1   18   15    0 o   27.160   0.9437 -0.000000 0.000000 
1 1 1   18   15    1 o   27.030   0.6797 -1.171000 1.359000 
1 1 1   18   15    2 o   38.750   0.5359 0.2948000 1.072000 
1 1 1   18   15    3 o   22.810   0.8289 0.3329000 1.658000 
1 1 1   18   15    4 o   16.190   1.1650 0.7713000 2.331000 
1 1 1   18   15    5 o   36.530   0.5639 -1.298000 1.128000 
1 1 1   18   15    6 o   43.910   0.5326 1.300000 1.065000 
1 1 1   18   15    7 o   25.060   0.7319 -2.975000 1.464000 
1 1 1   18   15    8 o   8.5010   1.8480 0.2663000E-01 3.695000 
1 1 1   18   15    9 o   9.8650   1.6280 -6.087000 3.256000 
1 1 1   18   15   10 o   10.980   1.6340 -2.764000 3.269000 
1 1 1   18   15   11 o   23.110   0.8100 -1.757000 1.620000 
1 1 1   18   15   12 o   18.440   0.9999 0.2185000 2.000000 
1 1 1   18   15   13 o   13.210   1.4220 0.2666000 2.843000 
1 1 1   18   15   14 o   16.550   1.1680 -2.513000 2.337000 
1 1 1   18   15   15 f   20.210   0.9842 -4.236000 1.968000 
1 1 1   18   15   16 o   13.840   1.8510 -1.304000 3.701000 
1 1 1   18   15   17 o   15.170   1.5190 -4.836000 3.038000 
1 1 1   18   15   18 o   14.820   1.5520 6.747000 3.104000 
1 1 1   18   15   19 o   10.720   2.1240 1.605000 4.247000 
1 1 1   18   15   20 o   15.850   1.5610 -4.636000 3.122000 
1 1 1   18   15   21 o   7.2330   2.0470 -0.5205000 4.095000 
1 1 1   18   15   22 o   17.430   1.3300 -1.076000 2.660000 
1 1 1   18   15   23 o   9.6200   2.1100 0.4922000 4.220000 
1 1 1   18   15   24 o   9.6680   2.0360 3.336000 4.073000 
1 1 1   18   15   25 o   14.700   1.5350 4.260000 3.071000 
1 1 1   18   15   26 o   7.3840   2.0210 0.9365000 4.041000 
1 1 1   18   15   27 o   6.9630   1.9820 0.1707000E-01 3.963000 
1 1 1   18   15   28 o   10.830   1.9130 0.5646000 3.827000 
1 1 1   18   16    0 o   38.960   0.8079 -0.000000 0.000000 
1 1 1   18   16    1 o   11.460   1.6120 -6.064000 3.223000 
1 1 1   18   16    2 o   31.130   0.6394 -0.3057000E-01 1.279000 
1 1 1   18   16    3 o   49.370   0.5383 -0.6485000E-01 1.077000 
1 1 1   18   16    4 o   30.460   0.6578 0.4721000 1.316000 
1 1 1   18   16    5 o   27.920   0.7048 -1.498000 1.410000 
1 1 1   18   16    6 o   7.2510   1.8760 1.853000 3.752000 
1 1 1   18   16    7 o   40.780   0.5703 -1.856000 1.141000 
1 1 1   18   16    8 o   6.0290   1.7860 1.465000 3.572000 
1 1 1   18   16    9 o   29.410   0.6826 0.4091000E-01 1.365000 
1 1 1   18   16   10 o   11.570   1.6820 -3.176000 3.365000 
1 1 1   18   16   11 o   19.270   1.0330 -1.875000 2.066000 
1 1 1   18   16   12 o   34.240   0.6519 -1.756000 1.304000 
1 1 1   18   16   13 o   31.840   0.6792 1.079000 1.358000 
1 1 1   18   16   14 o   20.470   1.0020 -1.305000 2.004000 
1 1 1   18   16   15 f   13.020   1.6060 1.573000 3.211000 
1 1 1   18   16   16 o   9.0820   1.8840 4.789000 3.769000 
1 1 1   18   16   17 o   8.7700   2.1150 1.860000 4.229000 
1 1 1   18   16   18 o   14.960   1.5700 1.369000 3.140000 
1 1 1   18   16   19 o   9.5950   2.1280 -1.131000 4.257000 
1 1 1   18   16   20 o   10.100   2.1670 4.885000 4.333000 
1 1 1   18   16   21 o   12.500   1.9230 2.965000 3.846000 
1 1 1   18   16   22 o   11.060   2.0060 -2.644000 4.012000 
1 1 1   18   16   23 o   9.8440   2.0340 -3.532000 4.067000 
1 1 1   18   16   24 o   10.850   1.9830 -2.054000 3.967000 
1 1 1   18   16   25 o   9.2610   2.0550 3.377000 4.109000 
1 1 1   18   16   26 o   9.5080   2.0550 1.655000 4.110000 
1 1 1   18   16   27 o   6.8480   1.9240 -2.825000 3.849000 
1 1 1   18   17    0 o   43.050   0.8196 -0.000000 0.000000 
1 1 1   18   17    1 o   15.540   1.2830 1.432000 2.566000 
1 1 1   18   17    2 o   34.980   0.6938 -1.372000 1.388000 
1 1 1   18   17    3 o   12.200   1.7810 1.827000 3.563000 
1 1 1   18   17    4 o   20.880   0.9692 1.403000 1.938000 
1 1 1   18   17    5 o   39.520   0.6012 -1.175000 1.202000 
1 1 1   18   17    6 o   31.210   0.6913 -2.001000 1.383000 
1 1 1   18   17    7 o   9.2810   1.8740 -4.064000 3.749000 
1 1 1   18   17    8 o   32.940   0.6790 -0.1822000 1.358000 
1 1 1   18   17    9 o   10.730   1.8910 1.138000 3.783000 
1 1 1   18   17   10 o   27.220   0.7906 -2.117000 1.581000 
1 1 1   18   17   11 o   17.410   1.2050 -2.143000 2.409000 
1 1 1   18   17   12 o   16.830   1.2810 3.486000 2.562000 
1 1 1   18   17   13 o   8.7090   2.0210 2.114000 4.042000 
1 1 1   18   17   14 o   19.420   1.1150 -1.384000 2.229000 
1 1 1   18   17   15 o   13.050   1.7300 3.901000 3.460000 
1 1 1   18   17   16 o   15.280   1.4830 3.005000 2.965000 
1 1 1   18   17   17 o   20.000   1.1480 -4.031000 2.296000 
1 1 1   18   17   18 o   11.740   1.9070 0.3666000 3.814000 
1 1 1   18   17   19 o   8.6470   2.0790 -2.960000 4.157000 
1 1 1   18   17   20 f   6.9920   1.8910 -4.188000 3.781000 
1 1 1   18   17   21 o   10.330   2.0110 -4.123000 4.021000 
1 1 1   18   17   22 o   15.230   1.5430 1.940000 3.085000 
1 1 1   18   17   23 o   6.7030   1.9800 -0.6237000 3.960000 
1 1 1   18   17   24 o   12.880   1.8160 -0.7716000 3.633000 
1 1 1   18   17   25 f   14.140   1.6620 7.848000 3.324000 
1 1 1   18   18    0 o   10.460   2.7880 -0.000000 0.000000 
1 1 1   18   18    1 o   18.920   1.3010 5.679000 2.603000 
1 1 1   18   18    2 o   17.260   1.2500 -1.148000 2.501000 
1 1 1   18   18    3 o   10.660   1.9450 0.5587000E-01 3.891000 
1 1 1   18   18    4 o   13.780   1.6560 -7.527000 3.311000 
1 1 1   18   18    5 o   10.890   1.8420 5.645000 3.685000 
1 1 1   18   18    6 o   13.410   1.7080 -4.623000 3.417000 
1 1 1   18   18    7 o   30.390   0.7654 0.8022000 1.531000 
1 1 1   18   18    8 o   17.320   1.2920 -3.006000 2.583000 
1 1 1   18   18    9 o   18.900   1.1840 -0.4215000 2.367000 
1 1 1   18   18   10 o   8.2770   2.0760 -1.660000 4.151000 
1 1 1   18   18   11 o   16.190   1.3890 -1.397000 2.777000 
1 1 1   18   18   12 o   14.930   1.5930 5.815000 3.186000 
1 1 1   18   18   13 o   14.770   1.6240 -4.726000 3.248000 
1 1 1   18   18   14 o   11.290   1.9630 -1.950000 3.926000 
1 1 1   18   18   15 o   10.860   1.9790 -3.102000 3.959000 
1 1 1   18   18   16 o   16.560   1.4070 3.823000 2.815000 
1 1 1   18   18   17 o   8.0010   2.0860 1.116000 4.173000 
1 1 1   18   18   18 o   12.360   1.8200 5.417000 3.640000 
1 1 1   18   18   19 f   7.9740   2.0630 1.854000 4.126000 
1 1 1   18   18   20 o   7.4640   1.9920 4.871000 3.984000 
1 1 1   18   18   21 o   12.700   1.8870 1.225000 3.774000 
1 1 1   18   18   22 f   6.5610   1.9770 -0.1622000 3.955000 
1 1 1   18   18   23 o   9.8530   2.0470 7.370000 4.093000 
1 1 1   18   18   24 o   6.3350   1.9310 0.7335000 3.862000 
1 1 1   18   19    0 o   21.140   1.5250 -0.000000 0.000000 
1 1 1   18   19    1 o   11.160   1.9780 -0.4075000E-01 3.956000 
1 1 1   18   19    2 o   16.000   1.4680 -1.539000 2.936000 
1 1 1   18   19    3 o   7.7050   2.0760 1.577000 4.153000 
1 1 1   18   19    4 o   12.240   1.9040 3.974000 3.808000 
1 1 1   18   19    5 f   26.110   0.9029 1.666000 1.806000 
1 1 1   18   19    6 o   22.010   1.0800 -0.3560000 2.159000 
1 1 1   18   19    7 o   10.690   2.0210 4.485000 4.042000 
1 1 1   18   19    8 o   27.680   0.8969 -3.745000 1.794000 
1 1 1   18   19    9 o   13.530   1.8170 -3.362000 3.633000 
1 1 1   18   19   10 f   9.9010   2.1420 -0.3806000 4.285000 
1 1 1   18   19   11 o   7.4580   2.0770 1.233000 4.155000 
1 1 1   18   19   12 o   18.530   1.2610 0.9252000 2.522000 
1 1 1   18   19   13 o   14.490   1.6550 -1.895000 3.310000 
1 1 1   18   19   14 o   15.390   1.5330 -0.5303000 3.066000 
1 1 1   18   19   15 o   7.0660   2.0320 -1.424000 4.064000 
1 1 1   18   19   16 o   12.260   1.8900 -0.5539000 3.781000 
1 1 1   18   19   17 o   9.9320   1.9440 4.963000 3.888000 
1 1 1   18   19   18 o   8.7260   2.1360 3.017000 4.273000 
1 1 1   18   19   19 o   6.2110   1.9010 -0.8061000 3.802000 
1 1 1   18   19   20 o   8.4200   1.9930 3.883000 3.986000 
1 1 1   18   19   21 o   7.7690   2.0330 -2.969000 4.066000 
1 1 1   18   19   22 o   7.5740   2.0580 -1.034000 4.116000 
1 1 1   18   20    0 o   10.020   3.0560 -0.000000 0.000000 
1 1 1   18   20    1 o   10.610   2.1510 -1.427000 4.303000 
1 1 1   18   20    2 o   16.070   1.5790 -1.086000 3.158000 
1 1 1   18   20    3 o   9.0030   2.0060 5.643000 4.011000 
1 1 1   18   20    4 o   11.000   2.0590 4.278000 4.118000 
1 1 1   18   20    5 o   11.030   2.0320 4.889000 4.065000 
1 1 1   18   20    6 o   16.250   1.5770 0.7747000 3.154000 
1 1 1   18   20    7 f   8.9760   1.9050 -7.299000 3.811000 
1 1 1   18   20    8 o   20.240   1.2380 -3.284000 2.476000 
1 1 1   18   20    9 o   11.400   2.0990 1.595000 4.198000 
1 1 1   18   20   10 o   15.420   1.6260 0.7976000E-01 3.252000 
1 1 1   18   20   11 o   21.500   1.1420 1.185000 2.284000 
1 1 1   18   20   12 o   9.2960   2.0890 3.266000 4.177000 
1 1 1   18   20   13 o   6.7960   1.9730 2.164000 3.946000 
1 1 1   18   20   14 o   9.2340   2.1200 0.9231000E-02 4.240000 
1 1 1   18   20   15 o   9.4750   2.0740 2.814000 4.148000 
1 1 1   18   20   16 o   12.470   1.8480 -4.546000 3.696000 
1 1 1   18   20   17 o   8.8800   1.8610 5.911000 3.722000 
1 1 1   18   20   18 o   7.1590   2.0250 -0.1697000 4.050000 
1 1 1   18   20   19 o   5.7730   1.8280 0.5579000 3.657000 
1 1 1   18   20   20 o   7.3250   1.9660 2.373000 3.932000 
1 1 1   18   21    0 o   5.9370   2.6970 -0.000000 0.000000 
1 1 1   18   21    1 o   7.5710   2.1020 1.991000 4.203000 
1 1 1   18   21    2 o   10.500   2.1700 2.170000 4.341000 
1 1 1   18   21    3 o   9.1830   2.1970 1.987000 4.394000 
1 1 1   18   21    4 o   8.3460   2.2100 0.1597000 4.421000 
1 1 1   18   21    5 o   11.730   2.0540 3.349000 4.109000 
1 1 1   18   21    6 o   11.680   2.1110 1.368000 4.221000 
1 1 1   18   21    7 o   8.1290   2.1880 0.9852000 4.376000 
1 1 1   18   21    8 o   8.3680   2.1080 3.730000 4.217000 
1 1 1   18   21    9 o   22.620   1.1050 -1.564000 2.210000 
1 1 1   18   21   10 o   13.670   1.8270 1.718000 3.654000 
1 1 1   18   21   11 o   7.4480   2.0890 -0.1523000 4.178000 
1 1 1   18   21   12 o   10.860   2.0770 0.5522000 4.155000 
1 1 1   18   21   13 o   6.4320   1.9000 2.709000 3.800000 
1 1 1   18   21   14 o   8.4720   2.0290 -3.301000 4.057000 
1 1 1   18   21   15 o   6.3910   1.9320 1.434000 3.864000 
1 1 1   18   21   16 o   8.7080   2.0190 -3.500000 4.038000 
1 1 1   18   21   17 f   7.4940   1.9760 -2.683000 3.951000 
1 1 1   18   21   18 o   8.6170   2.0520 -0.5041000 4.105000 
1 1 1   18   22    0 o   4.9940   2.3980 -0.000000 0.000000 
1 1 1   18   22    1 o   9.3830   2.2310 -0.3865000 4.462000 
1 1 1   18   22    2 o   5.8900   1.8850 -1.467000 3.770000 
1 1 1   18   22    3 o   7.5590   2.1470 1.024000 4.293000 
1 1 1   18   22    4 o   8.0920   2.1720 -1.480000 4.343000 
1 1 1   18   22    5 f   8.2640   2.1480 2.273000 4.296000 
1 1 1   18   22    6 o   9.4900   1.9900 -6.264000 3.980000 
1 1 1   18   22    7 o   8.5190   2.0780 -4.372000 4.157000 
1 1 1   18   22    8 o   8.0560   2.1140 2.404000 4.228000 
1 1 1   18   22    9 o   12.180   1.9230 -4.089000 3.847000 
1 1 1   18   22   10 f   8.8210   2.1510 -0.1995000 4.303000 
1 1 1   18   22   11 o   7.7380   2.0790 -1.938000 4.157000 
1 1 1   18   22   12 o   5.7470   1.7940 2.507000 3.587000 
1 1 1   18   22   13 o   16.610   1.3490 1.217000 2.698000 
1 1 1   18   22   14 o   8.2370   1.9200 -4.255000 3.841000 
1 1 1   18   22   15 o   6.4430   1.8840 -1.928000 3.769000 
1 1 1   18   22   16 o   10.930   2.3410 5.352000 4.683000 
1 1 1   18   23    0 o   7.4430   3.0430 -0.000000 0.000000 
1 1 1   18   23    1 o   7.9190   2.1910 -0.2526000 4.381000 
1 1 1   18   23    2 o   7.2460   2.0810 2.306000 4.162000 
1 1 1   18   23    3 o   9.3710   2.1610 3.510000 4.322000 
1 1 1   18   23    4 o   8.7230   2.1580 -3.222000 4.315000 
1 1 1   18   23    5 o   9.9740   2.1010 4.463000 4.202000 
1 1 1   18   23    6 o   8.8110   2.1870 0.8815000 4.373000 
1 1 1   18   23    7 o   8.1040   2.0800 -3.072000 4.159000 
1 1 1   18   23    8 o   10.880   2.0710 -1.978000 4.142000 
1 1 1   18   23    9 f   9.4390   2.1280 0.6255000 4.256000 
1 1 1   18   23   10 o   6.8190   1.9580 1.923000 3.916000 
1 1 1   18   23   11 o   6.1020   1.8680 -0.9717000 3.736000 
1 1 1   18   23   12 f   10.250   1.8290 5.405000 3.659000 
1 1 1   18   24    0 o   6.7770   2.8880 -0.000000 0.000000 
1 1 1   18   24    1 o   6.3080   1.9500 1.598000 3.900000 
1 1 1   18   24    2 o   8.6000   2.1610 1.708000 4.321000 
1 1 1   18   24    3 o   5.9980   1.9060 -0.2340000E-01 3.813000 
1 1 1   18   24    4 o   5.6290   1.8090 1.757000 3.618000 
1 1 1   18   24    5 o   8.8350   2.1320 -2.028000 4.264000 
1 1 1   18   24    6 o   9.6740   2.1140 1.476000 4.228000 
1 1 1   18   24    7 o   6.7750   1.9890 -0.7328000 3.978000 
1 1 1   18   24    8 o   10.880   2.5370 -0.5991000 5.074000 
1 1 1   19    0    1 o   84.710   0.8882 -0.000000 0.000000 
1 1 1   19    0    2 o  117.500   1.2270 -0.000000 0.000000 
1 1 1   19    0    3 o   62.720   0.6650 -0.000000 0.000000 
1 1 1   19    0    4 o   24.400   0.4005 -0.000000 0.000000 
1 1 1   19    0    5 o   25.500   0.5030 -0.000000 0.000000 
1 1 1   19    0    6 o   42.930   0.5459 -0.000000 0.000000 
1 1 1   19    0    7 o   13.960   0.4585 -0.000000 0.000000 
1 1 1   19    0    8 o   4.5770   1.2400 -0.000000 0.000000 
1 1 1   19    0    9 o   47.970   0.6017 -0.000000 0.000000 
1 1 1   19    0   10 o  104.600   1.2670 -0.000000 0.000000 
1 1 1   19    0   11 o   46.910   0.7306 -0.000000 0.000000 
1 1 1   19    0   12 o   41.410   0.6633 -0.000000 0.000000 
1 1 1   19    0   13 o   8.4430   0.9677 -0.000000 0.000000 
1 1 1   19    0   14 o   46.200   0.7244 -0.000000 0.000000 
1 1 1   19    0   15 o   32.110   0.5785 -0.000000 0.000000 
1 1 1   19    0   16 o   66.900   1.0370 -0.000000 0.000000 
1 1 1   19    0   17 o   11.080   1.7550 -0.000000 0.000000 
1 1 1   19    0   18 o   13.530   1.5270 -0.000000 0.000000 
1 1 1   19    0   19 o   23.740   1.0120 -0.000000 0.000000 
1 1 1   19    0   20 o   40.020   1.0390 -0.000000 0.000000 
1 1 1   19    0   21 o   28.260   1.0900 -0.000000 0.000000 
1 1 1   19    0   22 o   41.810   1.1080 -0.000000 0.000000 
1 1 1   19    0   23 o   11.880   2.4530 -0.000000 0.000000 
1 1 1   19    0   24 o   11.830   2.5980 -0.000000 0.000000 
1 1 1   19    0   25 o   22.650   1.5080 -0.000000 0.000000 
1 1 1   19    0   26 o   10.090   3.0530 -0.000000 0.000000 
1 1 1   19    0   27 o   27.400   1.4810 -0.000000 0.000000 
1 1 1   19    0   28 o   12.540   2.9940 -0.000000 0.000000 
1 1 1   19    0   29 o   13.010   3.1300 -0.000000 0.000000 
1 1 1   19    0   30 o   8.5200   3.2990 -0.000000 0.000000 
1 1 1   19    0   31 o   33.370   1.4900 -0.000000 0.000000 
1 1 1   19    0   32 o   7.0460   3.0800 -0.000000 0.000000 
1 1 1   19    0   33 o   22.220   2.0630 -0.000000 0.000000 
1 1 1   19    0   34 o   6.8060   3.0120 -0.000000 0.000000 
1 1 1   19    0   35 o   8.6800   3.3860 -0.000000 0.000000 
1 1 1   19    1    0 o   7.8030   0.9839 -0.000000 0.000000 
1 1 1   19    1    1 o   56.750   0.6054 -2.020000 1.211000 
1 1 1   19    1    2 o  116.500   1.2160 -2.206000 2.432000 
1 1 1   19    1    3 o   57.570   0.6147 7.057000 1.229000 
1 1 1   19    1    4 o   82.380   0.8646 -4.784000 1.729000 
1 1 1   19    1    5 o   44.550   0.6932      ?      ? 
1 1 1   19    1    6 o   60.660   0.6457 -1.718000 1.291000 
1 1 1   19    1    7 o   41.020   0.4624 -3.627000 0.9249000 
1 1 1   19    1    8 o   59.760   0.6383 -3.274000 1.277000 
1 1 1   19    1    9 o   44.000   0.4896 -2.578000 0.9791000 
1 1 1   19    1   10 o   70.050   0.7423 6.202000 1.485000 
1 1 1   19    1   11 o   35.650   0.4239 2.592000 0.8477000 
1 1 1   19    1   12 o   26.160   0.3406 -1.830000 0.6813000 
1 1 1   19    1   13 f  107.100   1.0250 1.055000 2.050000 
1 1 1   19    1   14 f   41.720   0.4305 1.350000 0.8610000 
1 1 1   19    1   15 o   14.980   0.4082      ?      ? 
1 1 1   19    1   16 o   14.290   0.5421 5.166000 1.084000 
1 1 1   19    1   17 o   42.700   0.5862 1.093000 1.172000 
1 1 1   19    1   18 o   16.390   0.4136 -1.486000 0.8272000 
1 1 1   19    1   19 o   29.580   0.4081 -0.2083000 0.8163000 
1 1 1   19    1   20 o   19.740   0.6330 -1.457000 1.266000 
1 1 1   19    1   21 o   65.210   1.0120 0.3067000 2.024000 
1 1 1   19    1   22 o   10.790   1.6560 -1.246000 3.313000 
1 1 1   19    1   23 o   35.870   0.7709 -2.230000 1.542000 
1 1 1   19    1   24 o   34.670   0.8211 -2.280000 1.642000 
1 1 1   19    1   25 o   23.590   1.0310 -2.348000 2.063000 
1 1 1   19    1   26 o   34.430   0.8938 -2.632000 1.788000 
1 1 1   19    1   27 f   29.300   1.0110 0.1657000E-02 2.023000 
1 1 1   19    1   28 o   21.720   1.3160 -3.405000 2.631000 
1 1 1   19    1   29 o   11.870   2.1500 6.956000 4.300000 
1 1 1   19    1   30 o   27.630   1.1960 -1.322000 2.392000 
1 1 1   19    1   31 o   19.660   1.6230 0.5858000 3.245000 
1 1 1   19    1   32 o   9.9720   2.4810 -0.2966000E-01 4.961000 
1 1 1   19    1   33 f   7.9960   2.3270 0.5483000 4.655000 
1 1 1   19    1   34 o   8.8950   2.1490 -5.608000 4.297000 
1 1 1   19    1   35 o   14.590   1.9960 -8.729000 3.993000 
1 1 1   19    2    0 o  133.100   1.9630 -0.000000 0.000000 
1 1 1   19    2    1 o  132.400   1.3810 -1.230000 2.763000 
1 1 1   19    2    2 o  139.500   1.4550 4.268000 2.910000 
1 1 1   19    2    3 o   49.880   0.5416 -0.9092000E-01 1.083000 
1 1 1   19    2    4 o   71.760   0.7580 -5.150000 1.516000 
1 1 1   19    2    5 o   6.0070   1.0060 -1.060000 2.011000 
1 1 1   19    2    6 o   43.830   0.4888 3.137000 0.9777000 
1 1 1   19    2    7 f   26.740   0.3859 4.690000 0.7718000 
1 1 1   19    2    8 o   33.640   0.4169 1.987000 0.8339000 
1 1 1   19    2    9 o   89.880   0.9441 4.068000 1.888000 
1 1 1   19    2   10 o   64.300   0.6871 6.235000 1.374000 
1 1 1   19    2   11 o   20.900   0.4265 -6.384000 0.8531000 
1 1 1   19    2   12 o   69.740   0.7406 0.9538000 1.481000 
1 1 1   19    2   13 o   23.490   0.4171 -7.299000 0.8343000 
1 1 1   19    2   14 o   22.930   0.3670 -3.603000 0.7340000 
1 1 1   19    2   15 o   15.650   0.5126 0.2365000 1.025000 
1 1 1   19    2   16 o   11.840   0.6296 1.554000 1.259000 
1 1 1   19    2   17 o   26.680   0.3687 -0.1005000 0.7375000 
1 1 1   19    2   18 o   38.580   0.5322      ?      ? 
1 1 1   19    2   19 o   33.240   0.4088 1.353000 0.8176000 
1 1 1   19    2   20 f   37.200   0.6751      ?      ? 
1 1 1   19    2   21 o   24.800   1.1800      ?      ? 
1 1 1   19    2   22 o   14.160   1.2410 5.319000 2.481000 
1 1 1   19    2   23 o   18.740   0.7812      ?      ? 
1 1 1   19    2   24 o   25.160   0.6984      ?      ? 
1 1 1   19    2   25 o   37.480   0.7374      ?      ? 
1 1 1   19    2   26 o   38.120   0.7510      ?      ? 
1 1 1   19    2   27 o   8.4420   3.1830      ?      ? 
1 1 1   19    2   28 o   26.090   0.9121 2.306000 1.824000 
1 1 1   19    2   29 o   19.910   1.1300 1.427000 2.260000 
1 1 1   19    2   30 o   11.120   1.7750 0.4607000E-01 3.550000 
1 1 1   19    2   31 o   15.710   1.5320 2.110000 3.065000 
1 1 1   19    2   32 o   10.310   1.8200 -3.568000 3.640000 
1 1 1   19    2   33 o   13.080   1.6950 2.811000 3.391000 
1 1 1   19    2   34 o   10.280   2.1630 -6.792000 4.327000 
1 1 1   19    2   35 o   7.3180   2.0130 -4.774000 4.027000 
1 1 1   19    3    0 o  151.600   2.2360 -0.000000 0.000000 
1 1 1   19    3    1 o  122.100   1.2750 -5.090000 2.551000 
1 1 1   19    3    2 o  134.900   1.4090 -8.101000 2.817000 
1 1 1   19    3    3 o   75.100   0.7948 -5.084000 1.590000 
1 1 1   19    3    4 f   64.740   0.6913 1.751000 1.383000 
1 1 1   19    3    5 o  133.200   1.3910 -0.5443000 2.781000 
1 1 1   19    3    6 o   65.170   0.6958 -0.6565000 1.392000 
1 1 1   19    3    7 o   45.080   0.5101 1.694000 1.020000 
1 1 1   19    3    8 o  104.900   1.0990 -6.124000 2.198000 
1 1 1   19    3    9 o   75.180   0.7971 0.1612000 1.594000 
1 1 1   19    3   10 o   43.650   0.4557 0.8720000 0.9113000 
1 1 1   19    3   11 o   41.020   0.4391 -0.7770000 0.8783000 
1 1 1   19    3   12 o   35.570   0.4054 3.275000 0.8109000 
1 1 1   19    3   13 o   34.250   0.4090 -6.814000 0.8179000 
1 1 1   19    3   14 o   26.490   0.3922 1.204000 0.7844000 
1 1 1   19    3   15 f   9.0940   0.9012 -1.666000 1.802000 
1 1 1   19    3   16 o   18.500   0.4677 -5.210000 0.9355000 
1 1 1   19    3   17 o   10.670   0.8575 3.918000 1.715000 
1 1 1   19    3   18 f   21.460   0.4455 -1.171000 0.8910000 
1 1 1   19    3   19 o   40.160   0.4508 2.212000 0.9017000 
1 1 1   19    3   20 o   23.440   0.4768 -0.6266000 0.9537000 
1 1 1   19    3   21 o   43.700   0.4825 4.690000 0.9650000 
1 1 1   19    3   22 o   19.510   0.5334 -0.9405000 1.067000 
1 1 1   19    3   23 o   36.680   0.6450 -0.5270000 1.290000 
1 1 1   19    3   24 o   25.180   0.7690 -0.4992000 1.538000 
1 1 1   19    3   25 f   21.630   0.9701 1.765000 1.940000 
1 1 1   19    3   26 f   32.990   0.7734 -1.854000 1.547000 
1 1 1   19    3   27 o   5.7760   1.8220 -3.369000 3.643000 
1 1 1   19    3   28 o   34.750   0.8207      ?      ? 
1 1 1   19    3   29 o   36.980   0.8400      ?      ? 
1 1 1   19    3   32 o   15.370   1.3840      ?      ? 
1 1 1   19    3   33 o   16.640   1.5040 1.687000 3.008000 
1 1 1   19    3   34 o   9.9640   1.9940 -4.540000 3.987000 
1 1 1   19    3   35 o   10.960   1.7080 -2.658000 3.416000 
1 1 1   19    4    0 o   8.9420   1.3440 -0.000000 0.000000 
1 1 1   19    4    1 o   46.700   0.5293 3.413000 1.059000 
1 1 1   19    4    2 o   69.980   0.7472 2.024000 1.494000 
1 1 1   19    4    3 o   64.660   0.6951 -0.1551000E-01 1.390000 
1 1 1   19    4    4 o   80.390   0.8504 4.323000 1.701000 
1 1 1   19    4    5 o   28.820   0.6044      ?      ? 
1 1 1   19    4    6 o   83.610   0.8835 5.165000 1.767000 
1 1 1   19    4    7 o   53.340   0.5934 8.170000 1.187000 
1 1 1   19    4    8 o   53.670   0.5443 -2.316000 1.089000 
1 1 1   19    4    9 o   96.790   0.9298 -0.6424000 1.860000 
1 1 1   19    4   10 o   63.240   0.6259 -3.266000 1.252000 
1 1 1   19    4   11 o   27.340   0.4160 2.174000 0.8320000 
1 1 1   19    4   12 o   38.870   0.4395 0.3357000 0.8790000 
1 1 1   19    4   13 o   7.1660   1.2860 -1.765000 2.572000 
1 1 1   19    4   14 o   41.080   0.4562 -0.3297000 0.9124000 
1 1 1   19    4   15 o   33.210   0.4291 3.052000 0.8583000 
1 1 1   19    4   16 o   32.590   0.4331 -3.820000 0.8663000 
1 1 1   19    4   17 o   35.640   0.5546      ?      ? 
1 1 1   19    4   18 o   44.010   0.6119      ?      ? 
1 1 1   19    4   19 o   58.870   0.5303 1.005000 1.061000 
1 1 1   19    4   20 o   44.520   0.4927 4.115000 0.9854000 
1 1 1   19    4   21 o   33.040   0.4301 1.388000 0.8602000 
1 1 1   19    4   22 o   43.630   0.4387 3.132000 0.8773000 
1 1 1   19    4   23 o   37.240   0.4135 0.6987000E-01 0.8271000 
1 1 1   19    4   24 o   34.560   0.4158 0.2870000 0.8316000 
1 1 1   19    4   25 o   9.6600   1.3160      ?      ? 
1 1 1   19    4   26 o   22.050   0.5052 1.343000 1.010000 
1 1 1   19    4   27 o   23.350   0.5026 1.734000 1.005000 
1 1 1   19    4   28 o   24.050   0.5100 -0.2832000 1.020000 
1 1 1   19    4   29 o   37.270   0.5104 -0.7061000 1.021000 
1 1 1   19    4   30 o   12.310   1.7710 -4.345000 3.542000 
1 1 1   19    4   31 o   12.090   1.9530 5.097000 3.906000 
1 1 1   19    4   32 o   10.240   2.0490 2.474000 4.098000 
1 1 1   19    4   33 o   6.0430   2.4240      ?      ? 
1 1 1   19    4   34 f   8.6190   2.4700      ?      ? 
1 1 1   19    4   35 o   8.8630   2.4790      ?      ? 
1 1 1   19    5    0 o   62.980   0.9658 -0.000000 0.000000 
1 1 1   19    5    1 o   31.830   0.4548 -2.302000 0.9095000 
1 1 1   19    5    2 o   69.540   0.7470 4.258000 1.494000 
1 1 1   19    5    3 o  138.000   1.4420 -1.656000 2.885000 
1 1 1   19    5    4 o   19.160   0.4873 -5.055000 0.9746000 
1 1 1   19    5    5 o   96.660   0.9249 5.324000 1.850000 
1 1 1   19    5    6 o   84.790   0.8220 -1.893000 1.644000 
1 1 1   19    5    7 o   50.820   0.5300 -4.065000 1.060000 
1 1 1   19    5    8 o   33.760   0.4310 1.926000 0.8621000 
1 1 1   19    5    9 o   15.520   0.6222 1.912000 1.244000 
1 1 1   19    5   10 o   85.250   0.8306 -6.121000 1.661000 
1 1 1   19    5   11 o   71.050   0.6217 4.230000 1.243000 
1 1 1   19    5   12 o   33.360   0.3841 -0.9570000 0.7683000 
1 1 1   19    5   13 o   61.660   0.5493 -1.789000 1.099000 
1 1 1   19    5   14 o   56.970   0.5167 3.310000 1.033000 
1 1 1   19    5   15 o   20.970   0.4599 -5.703000 0.9198000 
1 1 1   19    5   16 o   44.300   0.4358 1.323000 0.8715000 
1 1 1   19    5   17 o   7.5570   1.0950 7.815000 2.191000 
1 1 1   19    5   18 o   20.330   0.4770 1.954000 0.9540000 
1 1 1   19    5   19 o   61.140   0.5540 1.945000 1.108000 
1 1 1   19    5   20 o   27.920   0.4282 0.2105000 0.8563000 
1 1 1   19    5   21 o   45.720   0.5607 2.857000 1.121000 
1 1 1   19    5   22 o   64.970   0.5869 0.3611000 1.174000 
1 1 1   19    5   23 o   21.690   0.5713 3.808000 1.143000 
1 1 1   19    5   24 o   58.970   0.6180 0.1648000 1.236000 
1 1 1   19    5   25 o   34.010   0.4446 -0.4772000 0.8891000 
1 1 1   19    5   26 o   7.5740   1.5970 1.231000 3.193000 
1 1 1   19    5   27 f   11.320   1.1240 -1.691000 2.248000 
1 1 1   19    5   28 o   21.790   0.6423 0.7044000 1.285000 
1 1 1   19    5   29 o   5.2950   1.5250 -1.132000 3.051000 
1 1 1   19    5   30 o   11.610   1.2140 -6.088000 2.427000 
1 1 1   19    5   31 o   7.9080   1.4030 -6.386000 2.806000 
1 1 1   19    5   32 f   7.3470   1.5790 -1.184000 3.158000 
1 1 1   19    5   33 o   11.860   1.0870 -1.933000 2.174000 
1 1 1   19    5   34 o   7.5060   1.4570 -0.1814000 2.915000 
1 1 1   19    6    0 o   4.0390   1.7270 -0.000000 0.000000 
1 1 1   19    6    1 o   50.840   0.5371 -5.425000 1.074000 
1 1 1   19    6    2 o   85.800   0.8345 -3.134000 1.669000 
1 1 1   19    6    3 o   50.260   0.5291 -0.1292000 1.058000 
1 1 1   19    6    4 o   37.450   0.4603 -5.247000 0.9207000 
1 1 1   19    6    5 f   62.000   0.6204 1.074000 1.241000 
1 1 1   19    6    6 o   89.630   0.7748 -3.175000 1.550000 
1 1 1   19    6    7 o   54.810   0.5028 -2.219000 1.006000 
1 1 1   19    6    8 o   21.600   0.4498 5.218000 0.8997000 
1 1 1   19    6    9 o   64.850   0.5766 -2.594000 1.153000 
1 1 1   19    6   10 o   71.200   0.6258 -0.2740000 1.252000 
1 1 1   19    6   11 o   57.100   0.5186 -0.7468000 1.037000 
1 1 1   19    6   12 o   49.720   0.4712 -0.6319000 0.9424000 
1 1 1   19    6   13 o   20.200   0.4923 1.029000 0.9847000 
1 1 1   19    6   14 o   44.120   0.4430 4.122000 0.8861000 
1 1 1   19    6   15 o   64.970   0.5829 -3.873000 1.166000 
1 1 1   19    6   16 o   44.310   0.4477 1.328000 0.8955000 
1 1 1   19    6   17 o   32.120   0.4271 2.270000 0.8543000 
1 1 1   19    6   18 o   41.240   0.4430 0.8925000E-01 0.8861000 
1 1 1   19    6   19 o   42.500   0.4528 3.440000 0.9056000 
1 1 1   19    6   20 o   5.4600   1.4850 -0.5985000 2.969000 
1 1 1   19    6   21 o   12.450   0.8831 1.269000 1.766000 
1 1 1   19    6   22 f   42.000   0.4693 4.394000 0.9385000 
1 1 1   19    6   23 o   33.300   0.4660 -0.2554000 0.9319000 
1 1 1   19    6   24 o   22.630   0.6448 2.887000 1.290000 
1 1 1   19    6   25 o   30.560   0.4953 -0.3014000 0.9905000 
1 1 1   19    6   26 o   7.6810   1.6270 -1.686000 3.254000 
1 1 1   19    6   27 o   9.6860   1.4020 4.213000 2.803000 
1 1 1   19    6   28 o   10.130   1.6160 -2.074000 3.231000 
1 1 1   19    6   29 o   13.850   1.1960 -1.151000 2.391000 
1 1 1   19    6   30 o   14.430   1.0540 0.7756000 2.109000 
1 1 1   19    6   31 o   15.870   0.9893 2.476000 1.979000 
1 1 1   19    6   32 o   15.270   0.9657 0.3586000 1.931000 
1 1 1   19    6   33 o   15.690   0.9577 2.597000 1.915000 
1 1 1   19    6   34 o   9.9440   1.4570 3.921000 2.913000 
1 1 1   19    7    0 o  100.700   1.2270 -0.000000 0.000000 
1 1 1   19    7    1 o   26.390   0.4269 3.174000 0.8538000 
1 1 1   19    7    2 o   31.440   0.3876 -4.270000 0.7753000 
1 1 1   19    7    3 o   58.710   0.5003 -6.102000 1.001000 
1 1 1   19    7    4 o   69.800   0.5796 2.751000 1.159000 
1 1 1   19    7    5 o   8.6350   1.1470 3.831000 2.295000 
1 1 1   19    7    6 o   76.880   0.6745 0.5311000 1.349000 
1 1 1   19    7    7 o   53.540   0.5029 1.100000 1.006000 
1 1 1   19    7    8 o   64.370   0.6476 0.7579000 1.295000 
1 1 1   19    7    9 f   88.400   0.7666 -3.697000 1.533000 
1 1 1   19    7   10 o   19.540   0.5412 -0.7905000 1.082000 
1 1 1   19    7   11 o   30.610   0.4794 3.883000 0.9587000 
1 1 1   19    7   12 o   12.860   0.8140 0.1007000 1.628000 
1 1 1   19    7   13 o   50.390   0.4870 -4.115000 0.9740000 
1 1 1   19    7   14 o   22.530   0.5695 2.231000 1.139000 
1 1 1   19    7   15 o   11.390   0.9559 -0.1711000 1.912000 
1 1 1   19    7   16 o   46.760   0.4771 0.8262000 0.9543000 
1 1 1   19    7   17 o   34.320   0.4478 -0.3038000 0.8956000 
1 1 1   19    7   18 o   24.300   0.5910 -0.5375000 1.182000 
1 1 1   19    7   19 o   69.150   0.6245 1.366000 1.249000 
1 1 1   19    7   20 o   46.430   0.4889 2.331000 0.9778000 
1 1 1   19    7   21 o   9.5280   1.2980 5.406000 2.595000 
1 1 1   19    7   22 o   25.660   0.5443 -0.6768000E-01 1.089000 
1 1 1   19    7   23 o   28.500   0.6315 -1.416000 1.263000 
1 1 1   19    7   24 o   5.5900   1.6180 1.239000 3.235000 
1 1 1   19    7   25 o   19.390   0.7259 1.489000 1.452000 
1 1 1   19    7   26 o   13.320   1.2730 -2.181000 2.546000 
1 1 1   19    7   27 o   37.550   0.5240 -0.9378000 1.048000 
1 1 1   19    7   28 o   10.590   1.4480 0.9703000 2.896000 
1 1 1   19    7   29 o   30.750   0.6346 0.6728000 1.269000 
1 1 1   19    7   30 o   8.8000   1.7470 -0.1576000 3.493000 
1 1 1   19    7   31 o   23.570   0.7329 -2.348000 1.466000 
1 1 1   19    7   32 o   7.4790   1.7790 -0.6261000 3.558000 
1 1 1   19    7   33 o   10.320   1.5060 -3.792000 3.012000 
1 1 1   19    7   34 o   6.1510   1.8310 1.054000 3.663000 
1 1 1   19    8    0 o   10.590   1.2100 -0.000000 0.000000 
1 1 1   19    8    1 o   57.600   0.4643 -4.148000 0.9287000 
1 1 1   19    8    2 o   30.790   0.4193 6.448000 0.8386000 
1 1 1   19    8    3 o   52.990   0.5040 -1.204000 1.008000 
1 1 1   19    8    4 o   85.240   0.6964 -1.234000 1.393000 
1 1 1   19    8    5 o   47.340   0.4476 -6.595000 0.8952000 
1 1 1   19    8    6 o   27.170   0.4368 -2.320000 0.8737000 
1 1 1   19    8    7 o   32.080   0.4289 -2.006000 0.8577000 
1 1 1   19    8    8 f   23.800   0.4906 -2.701000 0.9812000 
1 1 1   19    8    9 o   29.480   0.4384 -2.829000 0.8767000 
1 1 1   19    8   10 o   25.270   0.4811 -2.255000 0.9623000 
1 1 1   19    8   11 o   39.480   0.5134 7.205000 1.027000 
1 1 1   19    8   12 f   13.100   1.1200 -4.534000 2.241000 
1 1 1   19    8   13 o   27.060   0.4865 0.6446000 0.9731000 
1 1 1   19    8   14 o   39.350   0.4554 3.761000 0.9108000 
1 1 1   19    8   15 o   34.540   0.5294 0.3146000 1.059000 
1 1 1   19    8   16 f   43.790   0.4747 -0.7833000 0.9494000 
1 1 1   19    8   17 o   27.900   0.5040 1.536000 1.008000 
1 1 1   19    8   18 o   78.980   0.7896 3.282000 1.579000 
1 1 1   19    8   19 o   68.890   0.6286 -1.532000 1.257000 
1 1 1   19    8   20 o   32.200   0.5615 -0.2649000 1.123000 
1 1 1   19    8   21 o   21.300   0.6723 2.234000 1.345000 
1 1 1   19    8   22 o   26.520   0.5906 1.945000 1.181000 
1 1 1   19    8   23 o   22.570   0.6933 3.292000 1.387000 
1 1 1   19    8   24 o   19.190   0.8016 1.079000 1.603000 
1 1 1   19    8   25 o   39.940   0.5346 2.301000 1.069000 
1 1 1   19    8   26 o   34.610   0.5567 -1.484000 1.113000 
1 1 1   19    8   27 f   11.360   1.4520 -5.043000 2.905000 
1 1 1   19    8   28 o   14.530   1.1530 1.848000 2.306000 
1 1 1   19    8   29 o   11.720   1.3830 -0.9699000 2.766000 
1 1 1   19    8   30 o   26.810   0.6442 -2.221000 1.288000 
1 1 1   19    8   31 o   9.7250   1.6290 -4.989000 3.258000 
1 1 1   19    8   32 o   10.470   1.5520 -2.804000 3.104000 
1 1 1   19    8   33 o   4.6400   1.4970 -0.4659000 2.994000 
1 1 1   19    9    0 o   7.2230   1.9080 -0.000000 0.000000 
1 1 1   19    9    1 o   39.990   0.4357 -2.085000 0.8714000 
1 1 1   19    9    2 o   8.1990   1.2370 -0.6097000 2.474000 
1 1 1   19    9    3 o   23.440   0.5000 7.742000 1.000000 
1 1 1   19    9    4 o   23.060   0.5422 -2.849000 1.084000 
1 1 1   19    9    5 o   32.630   0.4518 3.385000 0.9036000 
1 1 1   19    9    6 o   13.210   0.8580 2.986000 1.716000 
1 1 1   19    9    7 o   38.640   0.4411 2.996000 0.8822000 
1 1 1   19    9    8 o   19.810   0.5982 2.506000 1.196000 
1 1 1   19    9    9 o   26.450   0.5076 -4.561000 1.015000 
1 1 1   19    9   10 o   40.460   0.5201 3.895000 1.040000 
1 1 1   19    9   11 o   40.340   0.4484 1.974000 0.8969000 
1 1 1   19    9   12 o   11.890   1.0030 0.4974000 2.006000 
1 1 1   19    9   13 o   26.110   0.5119 4.390000 1.024000 
1 1 1   19    9   14 o   28.350   0.5415 2.106000 1.083000 
1 1 1   19    9   15 o   4.9860   1.5060 0.1139000 3.012000 
1 1 1   19    9   16 o   12.540   1.2170 -1.696000 2.435000 
1 1 1   19    9   17 o   16.310   0.8944 2.639000 1.789000 
1 1 1   19    9   18 o   15.220   0.8907 3.962000 1.781000 
1 1 1   19    9   19 o   46.400   0.4902 4.691000 0.9804000 
1 1 1   19    9   20 o   32.760   0.5137 4.534000 1.027000 
1 1 1   19    9   21 o   43.030   0.4959 1.647000 0.9917000 
1 1 1   19    9   22 o   11.000   1.4070 4.675000 2.814000 
1 1 1   19    9   23 o   18.010   0.8705 1.743000 1.741000 
1 1 1   19    9   24 o   35.190   0.6453 6.461000 1.291000 
1 1 1   19    9   25 o   31.330   0.6045 0.3803000 1.209000 
1 1 1   19    9   26 o   5.9040   1.6680 2.753000 3.336000 
1 1 1   19    9   27 o   8.8780   1.6980 -3.371000 3.397000 
1 1 1   19    9   28 o   17.470   1.0240 3.691000 2.048000 
1 1 1   19    9   29 o   10.100   1.6540 -1.380000 3.309000 
1 1 1   19    9   30 o   9.4010   1.6780 2.220000 3.357000 
1 1 1   19    9   31 o   17.410   0.9728 -1.553000 1.946000 
1 1 1   19    9   32 o   11.790   1.4200 -3.684000 2.840000 
1 1 1   19    9   33 o   8.3410   1.8600 -1.738000 3.719000 
1 1 1   19   10    0 o   14.590   1.1020 -0.000000 0.000000 
1 1 1   19   10    1 o   29.080   0.4464 2.200000 0.8927000 
1 1 1   19   10    2 o   72.430   0.5677 2.032000 1.135000 
1 1 1   19   10    3 o   37.670   0.4225 -0.5642000 0.8451000 
1 1 1   19   10    4 o   19.230   0.6213 -4.725000 1.243000 
1 1 1   19   10    5 o   8.3670   1.3380 -1.734000 2.677000 
1 1 1   19   10    6 o   29.910   0.4500 -2.242000 0.9000000 
1 1 1   19   10    7 o   35.200   0.4678 3.712000 0.9356000 
1 1 1   19   10    8 o   24.120   0.5619 -1.563000 1.124000 
1 1 1   19   10    9 o   31.480   0.4891 -1.575000 0.9783000 
1 1 1   19   10   10 o   27.270   0.5289 -5.919000 1.058000 
1 1 1   19   10   11 o   13.810   0.9243 4.481000 1.849000 
1 1 1   19   10   12 o   29.310   0.5063 4.273000 1.013000 
1 1 1   19   10   13 f   49.740   0.4917 1.742000 0.9833000 
1 1 1   19   10   14 o   9.8090   1.3690 -1.052000 2.738000 
1 1 1   19   10   15 o   25.300   0.6631 2.873000 1.326000 
1 1 1   19   10   16 o   61.270   0.5919 2.990000 1.184000 
1 1 1   19   10   17 o   14.030   1.0230 2.407000 2.046000 
1 1 1   19   10   18 o   25.360   0.7163 3.650000 1.433000 
1 1 1   19   10   19 f   42.080   0.5105 -2.786000 1.021000 
1 1 1   19   10   20 o   20.350   0.9465 -3.486000 1.893000 
1 1 1   19   10   21 o   25.560   0.6587 -0.3642000 1.317000 
1 1 1   19   10   22 o   15.610   1.0690 -0.9036000 2.138000 
1 1 1   19   10   23 o   32.800   0.5916 1.794000 1.183000 
1 1 1   19   10   24 o   31.550   0.6194 0.5540000E-01 1.239000 
1 1 1   19   10   25 o   14.170   1.3000 2.660000 2.599000 
1 1 1   19   10   26 o   23.250   0.7965 -2.733000 1.593000 
1 1 1   19   10   27 f   11.050   1.6650 -3.668000 3.330000 
1 1 1   19   10   28 o   16.710   1.1120 2.709000 2.223000 
1 1 1   19   10   29 o   8.4260   1.7760 -3.390000 3.552000 
1 1 1   19   10   30 o   10.450   1.6390 -0.6476000 3.278000 
1 1 1   19   10   31 o   6.0900   1.6260 3.520000 3.251000 
1 1 1   19   10   32 o   8.7570   1.6690 -0.9305000E-01 3.339000 
1 1 1   19   11    0 o   10.360   1.6800 -0.000000 0.000000 
1 1 1   19   11    1 f   22.470   0.5715 1.969000 1.143000 
1 1 1   19   11    2 o   8.0680   1.4110 -3.274000 2.821000 
1 1 1   19   11    3 o   18.910   0.6858 -6.157000 1.372000 
1 1 1   19   11    4 o   23.960   0.5432 -2.387000 1.086000 
1 1 1   19   11    5 o   43.350   0.4436 1.216000 0.8871000 
1 1 1   19   11    6 o   26.210   0.5145 -1.410000 1.029000 
1 1 1   19   11    7 o   26.740   0.5432 2.541000 1.086000 
1 1 1   19   11    8 o   46.610   0.4517 0.5878000 0.9034000 
1 1 1   19   11    9 o   44.980   0.4891 -1.018000 0.9781000 
1 1 1   19   11   10 o   74.340   0.6336 -2.649000 1.267000 
1 1 1   19   11   11 o   28.730   0.5477 1.317000 1.095000 
1 1 1   19   11   12 o   48.400   0.4997 -1.932000 0.9995000 
1 1 1   19   11   13 o   36.430   0.4979 -0.3402000 0.9958000 
1 1 1   19   11   14 f   44.400   0.5003 4.552000 1.001000 
1 1 1   19   11   15 o   37.960   0.5042 2.453000 1.008000 
1 1 1   19   11   16 o   23.870   0.6614 2.042000 1.323000 
1 1 1   19   11   17 o   25.880   0.6493 -1.147000 1.299000 
1 1 1   19   11   18 o   36.740   0.5397 0.1207000 1.079000 
1 1 1   19   11   19 o   10.180   1.6020 1.994000 3.204000 
1 1 1   19   11   20 o   22.180   0.9052 -1.372000 1.810000 
1 1 1   19   11   21 o   25.410   0.8443 -0.8017000 1.689000 
1 1 1   19   11   22 o   26.760   0.7011 -1.143000 1.402000 
1 1 1   19   11   23 o   26.900   0.7222 -0.4095000E-02 1.444000 
1 1 1   19   11   24 o   12.880   1.5780 8.991000 3.157000 
1 1 1   19   11   25 o   10.210   1.7750 5.206000 3.551000 
1 1 1   19   11   26 o   18.560   1.0580 3.135000 2.116000 
1 1 1   19   11   27 o   16.960   1.1530 2.233000 2.305000 
1 1 1   19   11   28 o   13.850   1.4230 -1.528000 2.846000 
1 1 1   19   11   29 o   7.8520   1.9140 0.8658000 3.827000 
1 1 1   19   11   30 o   7.5490   1.8310 2.982000 3.662000 
1 1 1   19   11   31 o   5.4470   1.6730 0.4027000 3.345000 
1 1 1   19   12    0 o   33.640   0.6688 -0.000000 0.000000 
1 1 1   19   12    1 o   18.160   0.7368 2.818000 1.474000 
1 1 1   19   12    2 f   30.860   0.4978 -0.4362000 0.9956000 
1 1 1   19   12    3 o   23.560   0.5924 1.569000 1.185000 
1 1 1   19   12    4 o   26.940   0.5355 -2.302000 1.071000 
1 1 1   19   12    5 o   36.310   0.4696 -0.5893000 0.9392000 
1 1 1   19   12    6 o   9.9100   1.4680 1.578000 2.936000 
1 1 1   19   12    7 o   20.290   0.6830 -1.689000 1.366000 
1 1 1   19   12    8 o   25.430   0.5792 -3.268000 1.158000 
1 1 1   19   12    9 o   22.310   0.6364 1.808000 1.273000 
1 1 1   19   12   10 f   22.630   0.6954 3.322000 1.391000 
1 1 1   19   12   11 o   31.480   0.5558 -1.227000 1.112000 
1 1 1   19   12   12 o   40.450   0.5179 2.120000 1.036000 
1 1 1   19   12   13 o   9.3320   1.5360 6.131000 3.071000 
1 1 1   19   12   14 o   50.480   0.5296 -1.492000 1.059000 
1 1 1   19   12   15 o   19.830   0.8291 2.820000 1.658000 
1 1 1   19   12   16 o   29.740   0.6201 1.214000 1.240000 
1 1 1   19   12   17 o   21.070   0.8377 0.2634000 1.675000 
1 1 1   19   12   18 o   23.850   0.7698 -1.235000 1.540000 
1 1 1   19   12   19 o   21.350   0.8619 0.8407000 1.724000 
1 1 1   19   12   20 o   42.190   0.5707 -1.097000 1.141000 
1 1 1   19   12   21 o   7.6160   1.9140 1.780000 3.829000 
1 1 1   19   12   22 o   21.360   0.9256 -1.085000 1.851000 
1 1 1   19   12   23 o   10.140   1.8760 -2.787000 3.751000 
1 1 1   19   12   24 o   26.490   0.8032 1.805000 1.606000 
1 1 1   19   12   25 o   11.550   1.7810 2.178000 3.563000 
1 1 1   19   12   26 o   14.630   1.4170 0.7042000E-01 2.835000 
1 1 1   19   12   27 o   13.290   1.5890 -2.136000 3.178000 
1 1 1   19   12   28 o   8.4810   1.9660 1.640000 3.933000 
1 1 1   19   12   29 o   10.300   1.8000 -3.128000 3.600000 
1 1 1   19   12   30 o   8.9640   1.8830 -0.6521000 3.766000 
1 1 1   19   12   31 o   5.6630   2.5180      ?      ? 
1 1 1   19   13    0 o   27.590   0.8008 -0.000000 0.000000 
1 1 1   19   13    1 o   14.890   0.9479 0.4923000 1.896000 
1 1 1   19   13    2 o   20.600   0.7254 3.652000 1.451000 
1 1 1   19   13    3 o   6.1980   1.5870 2.554000 3.174000 
1 1 1   19   13    4 o   33.760   0.5070 -1.990000 1.014000 
1 1 1   19   13    5 o   40.890   0.4893 0.8370000 0.9787000 
1 1 1   19   13    6 o   33.110   0.5219 0.6539000 1.044000 
1 1 1   19   13    7 o   17.160   0.8644 0.8821000 1.729000 
1 1 1   19   13    8 o   34.510   0.5158 0.7516000 1.032000 
1 1 1   19   13    9 o   20.260   0.8348 -0.2023000 1.670000 
1 1 1   19   13   10 o   7.5130   1.7190 0.5356000 3.437000 
1 1 1   19   13   11 o   45.480   0.5366 1.646000 1.073000 
1 1 1   19   13   12 o   37.770   0.5559 -1.660000 1.112000 
1 1 1   19   13   13 o   9.0230   1.7770 0.5106000 3.555000 
1 1 1   19   13   14 o   20.820   0.8500 2.276000 1.700000 
1 1 1   19   13   15 o   10.280   1.7270 -0.1616000 3.454000 
1 1 1   19   13   16 o   34.140   0.6130 2.527000 1.226000 
1 1 1   19   13   17 o   13.100   1.4910 5.370000 2.982000 
1 1 1   19   13   18 o   6.8840   1.9310 -0.9238000 3.863000 
1 1 1   19   13   19 o   16.110   1.2400 4.646000 2.481000 
1 1 1   19   13   20 o   11.510   1.7750 2.148000 3.550000 
1 1 1   19   13   21 o   32.990   0.6924 -1.872000 1.385000 
1 1 1   19   13   22 o   15.370   1.3730 0.7612000 2.747000 
1 1 1   19   13   23 o   14.310   1.5180 3.234000 3.036000 
1 1 1   19   13   24 o   9.2890   2.0300 1.652000 4.061000 
1 1 1   19   13   25 o   7.5000   2.0060 2.413000 4.013000 
1 1 1   19   13   26 o   11.480   1.8450 -3.675000 3.690000 
1 1 1   19   13   27 o   10.010   1.9510 2.633000 3.902000 
1 1 1   19   13   28 o   10.470   1.9280 0.6887000E-01 3.856000 
1 1 1   19   13   29 o   9.5490   1.9250 2.217000 3.851000 
1 1 1   19   13   30 o   10.160   1.7380 -5.410000 3.477000 
1 1 1   19   14    0 o   64.800   0.7856 -0.000000 0.000000 
1 1 1   19   14    1 o   20.670   0.7772 -0.1075000 1.554000 
1 1 1   19   14    2 o   33.490   0.5465 0.1576000 1.093000 
1 1 1   19   14    3 o   49.930   0.5076 1.836000 1.015000 
1 1 1   19   14    4 o   38.970   0.5149 -0.3971000 1.030000 
1 1 1   19   14    5 o   40.400   0.5133 4.341000 1.027000 
1 1 1   19   14    6 o   44.150   0.5106 1.847000 1.021000 
1 1 1   19   14    7 o   27.000   0.6380 1.757000 1.276000 
1 1 1   19   14    8 o   39.610   0.5285 4.122000 1.057000 
1 1 1   19   14    9 o   16.970   0.9682 0.7155000 1.936000 
1 1 1   19   14   10 o   24.560   0.7019 -1.817000 1.404000 
1 1 1   19   14   11 o   16.190   1.0220 0.4680000 2.044000 
1 1 1   19   14   12 o   22.070   0.7988 -3.916000 1.598000 
1 1 1   19   14   13 o   20.140   0.8515 0.9351000 1.703000 
1 1 1   19   14   14 o   10.090   1.8430 0.2507000 3.686000 
1 1 1   19   14   15 o   39.870   0.6032 1.130000 1.206000 
1 1 1   19   14   16 o   14.610   1.4260 -3.628000 2.852000 
1 1 1   19   14   17 o   21.890   0.9323 -1.664000 1.865000 
1 1 1   19   14   18 o   11.720   1.7720 -3.930000 3.544000 
1 1 1   19   14   19 o   18.600   1.1340 0.6864000 2.269000 
1 1 1   19   14   20 o   10.630   1.9250 3.485000 3.849000 
1 1 1   19   14   21 o   10.840   1.9780 -0.4566000E-01 3.957000 
1 1 1   19   14   22 o   10.220   2.0320 0.6465000 4.064000 
1 1 1   19   14   23 o   8.3490   2.1070 0.5498000 4.214000 
1 1 1   19   14   24 o   10.020   2.0250 -2.889000 4.051000 
1 1 1   19   14   25 o   4.7920   1.6190 0.1817000 3.237000 
1 1 1   19   14   26 o   15.920   1.3970 -3.572000 2.794000 
1 1 1   19   14   27 o   10.840   2.1430 -0.1911000 4.286000 
1 1 1   19   14   28 o   5.9650   1.8180 0.9805000 3.636000 
1 1 1   19   14   29 o   11.330   1.7610 -5.091000 3.521000 
1 1 1   19   15    0 o   48.090   0.7471 -0.000000 0.000000 
1 1 1   19   15    1 o   27.730   0.6630 2.136000 1.326000 
1 1 1   19   15    2 o   36.120   0.5629 0.2621000 1.126000 
1 1 1   19   15    3 o   33.460   0.5836 -1.491000 1.167000 
1 1 1   19   15    4 o   25.040   0.7185 0.4677000 1.437000 
1 1 1   19   15    5 o   24.050   0.7479 -0.8930000 1.496000 
1 1 1   19   15    6 o   21.890   0.9040 4.118000 1.808000 
1 1 1   19   15    7 o   18.920   0.9349 1.351000 1.870000 
1 1 1   19   15    8 o   18.260   0.9989 4.055000 1.998000 
1 1 1   19   15    9 o   7.2280   1.8430 -1.056000 3.686000 
1 1 1   19   15   10 o   17.230   1.0550 -3.779000 2.111000 
1 1 1   19   15   11 o   7.2340   1.8610 -0.7011000 3.722000 
1 1 1   19   15   12 o   23.040   0.8183 0.3381000 1.637000 
1 1 1   19   15   13 o   12.670   1.4930 -1.166000 2.986000 
1 1 1   19   15   14 f   25.990   0.7544 -0.3047000 1.509000 
1 1 1   19   15   15 o   12.290   1.7190 3.114000 3.439000 
1 1 1   19   15   16 o   32.540   0.7219 -1.529000 1.444000 
1 1 1   19   15   17 o   18.930   1.1620 0.4119000 2.324000 
1 1 1   19   15   18 o   12.440   1.7900 0.5928000 3.579000 
1 1 1   19   15   19 o   13.720   1.6790 2.499000 3.358000 
1 1 1   19   15   20 o   21.150   1.1130 1.922000 2.225000 
1 1 1   19   15   21 o   10.470   2.0830 0.6586000 4.166000 
1 1 1   19   15   22 o   9.9450   2.0000 8.648000 4.000000 
1 1 1   19   15   23 o   19.170   1.2020 1.629000 2.403000 
1 1 1   19   15   24 o   18.440   1.2230 3.272000 2.447000 
1 1 1   19   15   25 o   11.230   1.9220 -0.3924000 3.843000 
1 1 1   19   15   26 o   6.7710   1.9490 -1.078000 3.898000 
1 1 1   19   15   27 o   7.5650   2.0250 0.9807000 4.050000 
1 1 1   19   15   28 o   5.8170   1.8070 2.185000 3.614000 
1 1 1   19   16    0 o   45.670   0.7778 -0.000000 0.000000 
1 1 1   19   16    1 o   25.140   0.7564 -1.669000 1.513000 
1 1 1   19   16    2 o   14.800   1.2520 0.5466000E-02 2.503000 
1 1 1   19   16    3 o   32.170   0.6213 1.206000 1.243000 
1 1 1   19   16    4 o   33.000   0.6220 0.6152000 1.244000 
1 1 1   19   16    5 o   32.890   0.6255 0.2396000 1.251000 
1 1 1   19   16    6 o   41.010   0.5632 -1.157000 1.126000 
1 1 1   19   16    7 o   43.010   0.5674 1.057000 1.135000 
1 1 1   19   16    8 o   13.260   1.6170 2.669000 3.233000 
1 1 1   19   16    9 o   8.2500   1.6850 5.989000 3.370000 
1 1 1   19   16   10 o   9.7260   2.0170 0.6213000 4.034000 
1 1 1   19   16   11 o   19.780   0.9857 -0.4313000 1.971000 
1 1 1   19   16   12 o   30.000   0.7090 -1.224000 1.418000 
1 1 1   19   16   13 o   29.100   0.7233 -2.078000 1.447000 
1 1 1   19   16   14 o   10.360   1.8920 -1.131000 3.784000 
1 1 1   19   16   15 o   21.100   0.9789 2.603000 1.958000 
1 1 1   19   16   16 o   24.880   0.8707 0.2522000 1.741000 
1 1 1   19   16   17 o   19.020   1.2060 2.182000 2.412000 
1 1 1   19   16   18 o   19.920   1.1950 6.374000 2.389000 
1 1 1   19   16   19 o   18.220   1.3370 -3.036000 2.674000 
1 1 1   19   16   20 o   5.9520   1.8890 0.6053000 3.778000 
1 1 1   19   16   21 o   8.4100   2.1490 -0.5892000E-01 4.298000 
1 1 1   19   16   22 o   7.4830   1.9890 -3.126000 3.978000 
1 1 1   19   16   23 o   7.2950   2.0370 -1.279000 4.074000 
1 1 1   19   16   24 o   11.200   1.9640 3.194000 3.929000 
1 1 1   19   16   25 o   8.5100   2.0720 -1.728000 4.144000 
1 1 1   19   16   26 o   11.690   1.8110 -6.017000 3.623000 
1 1 1   19   16   27 o   12.370   4.1900      ?      ? 
1 1 1   19   17    0 o   11.860   2.6670 -0.000000 0.000000 
1 1 1   19   17    1 o   31.170   0.6873 -1.644000 1.375000 
1 1 1   19   17    2 o   27.080   0.7659 2.635000 1.532000 
1 1 1   19   17    3 o   6.6580   1.8840 0.6038000 3.768000 
1 1 1   19   17    4 o   29.000   0.7224 -0.4798000 1.445000 
1 1 1   19   17    5 o   24.810   0.8319 1.593000 1.664000 
1 1 1   19   17    6 o   14.360   1.4490 -0.4741000 2.898000 
1 1 1   19   17    7 o   10.840   1.8440 1.310000 3.688000 
1 1 1   19   17    8 o   25.990   0.8224 -1.049000 1.645000 
1 1 1   19   17    9 o   13.210   1.6230 3.131000 3.245000 
1 1 1   19   17   10 o   21.290   1.0010 0.2866000 2.002000 
1 1 1   19   17   11 o   20.890   1.0180 3.437000 2.036000 
1 1 1   19   17   12 o   12.690   1.7120 4.409000 3.423000 
1 1 1   19   17   13 f   10.970   1.8780 -4.182000 3.755000 
1 1 1   19   17   14 o   18.050   1.2080 -0.4896000 2.416000 
1 1 1   19   17   15 o   15.970   1.3700 -0.8510000 2.740000 
1 1 1   19   17   16 o   15.040   1.5400 -3.076000 3.079000 
1 1 1   19   17   17 o   9.1770   1.9000 -5.674000 3.799000 
1 1 1   19   17   18 o   14.200   1.7710 8.403000 3.542000 
1 1 1   19   17   19 o   14.000   1.7540 3.492000 3.509000 
1 1 1   19   17   20 o   12.190   1.8750 7.118000 3.749000 
1 1 1   19   17   21 o   9.5500   2.1320 2.509000 4.265000 
1 1 1   19   17   22 o   11.190   2.0270 -0.9000000 4.053000 
1 1 1   19   17   23 o   6.2340   1.9150 -0.6755000 3.831000 
1 1 1   19   17   24 o   8.8680   2.1190 2.492000 4.238000 
1 1 1   19   17   25 o   17.090   1.3160 1.613000 2.633000 
1 1 1   19   18    0 o   13.740   2.2310 -0.000000 0.000000 
1 1 1   19   18    1 o   8.0850   2.0170 0.6555000 4.034000 
1 1 1   19   18    2 o   21.580   0.9892 2.517000 1.978000 
1 1 1   19   18    3 o   32.190   0.7300 3.232000 1.460000 
1 1 1   19   18    4 o   27.380   0.8094 -0.1350000 1.619000 
1 1 1   19   18    5 o   25.800   0.8661 -2.051000 1.732000 
1 1 1   19   18    6 o   11.860   1.8570 1.258000 3.713000 
1 1 1   19   18    7 o   15.510   1.4610 -2.448000 2.923000 
1 1 1   19   18    8 o   27.060   0.9078 2.355000 1.816000 
1 1 1   19   18    9 o   17.690   1.3000 -1.368000 2.599000 
1 1 1   19   18   10 o   15.050   1.6660 8.454000 3.331000 
1 1 1   19   18   11 o   7.3960   1.9890 2.697000 3.979000 
1 1 1   19   18   12 o   19.430   1.1570 -1.725000 2.313000 
1 1 1   19   18   13 o   18.740   1.2550 3.645000 2.509000 
1 1 1   19   18   14 o   14.520   1.6290 4.343000 3.258000 
1 1 1   19   18   15 o   16.880   1.4050 -4.324000 2.810000 
1 1 1   19   18   16 o   10.840   1.9450 4.959000 3.889000 
1 1 1   19   18   17 o   8.3720   2.0860 1.790000 4.171000 
1 1 1   19   18   18 o   19.360   1.1640 -1.850000 2.329000 
1 1 1   19   18   19 o   9.1650   2.0950 -3.049000 4.190000 
1 1 1   19   18   20 o   15.280   1.6160 3.552000 3.232000 
1 1 1   19   18   21 o   10.290   2.0170 -3.790000 4.034000 
1 1 1   19   18   22 o   11.080   2.0050 -2.909000 4.011000 
1 1 1   19   18   23 o   8.7370   2.1140 2.826000 4.228000 
1 1 1   19   18   24 o   8.2310   2.0290 4.380000 4.058000 
1 1 1   19   19    0 o   13.080   2.5430 -0.000000 0.000000 
1 1 1   19   19    1 o   12.270   1.8690 2.187000 3.737000 
1 1 1   19   19    2 o   28.370   0.8417 1.442000 1.683000 
1 1 1   19   19    3 o   19.730   1.1740 -0.1076000 2.348000 
1 1 1   19   19    4 o   8.5840   2.1300 -1.391000 4.260000 
1 1 1   19   19    5 o   13.630   1.7500 2.049000 3.500000 
1 1 1   19   19    6 o   20.580   1.1760 1.365000 2.353000 
1 1 1   19   19    7 f   22.070   1.0960 0.3581000 2.192000 
1 1 1   19   19    8 o   14.450   1.7020 1.819000 3.405000 
1 1 1   19   19    9 o   8.9690   2.1240 -1.674000 4.249000 
1 1 1   19   19   10 o   15.320   1.5550 -1.740000 3.109000 
1 1 1   19   19   11 f   9.5030   2.0780 3.080000 4.155000 
1 1 1   19   19   12 o   12.830   1.8470 -4.702000 3.694000 
1 1 1   19   19   13 o   15.220   1.5580 1.559000 3.117000 
1 1 1   19   19   14 o   9.4790   2.1350 1.253000 4.270000 
1 1 1   19   19   15 o   9.8780   2.0960 -2.368000 4.193000 
1 1 1   19   19   16 o   14.120   1.6590 -0.2169000 3.319000 
1 1 1   19   19   17 o   18.330   1.2250 0.3584000E-01 2.450000 
1 1 1   19   19   18 o   6.0960   1.8790 0.7545000 3.759000 
1 1 1   19   19   19 o   5.8560   1.8420 0.2820000 3.684000 
1 1 1   19   19   20 f   9.9360   2.1550 2.959000 4.310000 
1 1 1   19   19   21 o   7.5880   2.0420 4.190000 4.083000 
1 1 1   19   19   22 o   8.8690   2.1290 1.585000 4.258000 
1 1 1   19   20    0 o   18.630   1.8910 -0.000000 0.000000 
1 1 1   19   20    1 o   10.460   2.1590 0.2614000E-01 4.318000 
1 1 1   19   20    2 o   14.830   1.7570 4.914000 3.513000 
1 1 1   19   20    3 o   12.150   2.0240 -2.161000 4.049000 
1 1 1   19   20    4 o   12.640   1.9530 1.752000 3.906000 
1 1 1   19   20    5 o   13.420   1.8560 2.334000 3.711000 
1 1 1   19   20    6 o   7.6940   1.9840 -5.076000 3.967000 
1 1 1   19   20    7 o   7.9530   2.0400 4.344000 4.080000 
1 1 1   19   20    8 o   17.350   1.4760 -4.799000 2.952000 
1 1 1   19   20    9 o   12.950   1.9370 -1.974000 3.874000 
1 1 1   19   20   10 o   24.910   1.0100 3.769000 2.019000 
1 1 1   19   20   11 o   9.3050   2.1470 2.155000 4.295000 
1 1 1   19   20   12 o   11.160   2.0610 -0.5325000 4.122000 
1 1 1   19   20   13 o   11.880   1.8470 -6.840000 3.693000 
1 1 1   19   20   14 o   7.4210   2.0640 0.2192000 4.127000 
1 1 1   19   20   15 o   8.7550   2.1210 0.3799000 4.241000 
1 1 1   19   20   16 o   9.2480   2.0550 -2.946000 4.111000 
1 1 1   19   20   17 f   13.140   1.7500 5.006000 3.500000 
1 1 1   19   20   18 o   7.4650   2.0570 -0.2834000 4.113000 
1 1 1   19   20   19 o   7.0740   1.9620 2.550000 3.924000 
1 1 1   19   20   20 o   8.5490   2.0560 -0.5937000 4.112000 
1 1 1   19   21    0 o   7.6780   3.0510 -0.000000 0.000000 
1 1 1   19   21    1 o   10.160   2.1570 2.164000 4.314000 
1 1 1   19   21    2 o   7.1440   2.0790 1.775000 4.158000 
1 1 1   19   21    3 f   11.430   2.1070 1.427000 4.214000 
1 1 1   19   21    4 o   11.680   2.0810 3.522000 4.162000 
1 1 1   19   21    5 o   11.870   2.0700 1.196000 4.139000 
1 1 1   19   21    6 o   9.4780   2.2200 1.142000 4.441000 
1 1 1   19   21    7 o   8.2680   2.1660 -2.670000 4.332000 
1 1 1   19   21    8 o   11.770   2.0790 -2.240000 4.158000 
1 1 1   19   21    9 o   12.890   1.9240 2.560000 3.847000 
1 1 1   19   21   10 f   14.640   1.7080 2.922000 3.416000 
1 1 1   19   21   11 o   9.0760   2.0210 4.893000 4.042000 
1 1 1   19   21   12 o   7.4560   1.8890 5.490000 3.777000 
1 1 1   19   21   13 o   8.6440   1.9870 4.450000 3.975000 
1 1 1   19   21   14 o   7.7390   2.0440 -1.795000 4.088000 
1 1 1   19   21   15 o   8.3260   2.1070 -0.1139000 4.214000 
1 1 1   19   21   16 f   10.560   2.0470 1.641000 4.094000 
1 1 1   19   21   17 o   15.070   1.5040 4.369000 3.008000 
1 1 1   19   21   18 o   8.3570   1.9890 2.911000 3.979000 
1 1 1   19   22    0 o   9.7150   3.1490 -0.000000 0.000000 
1 1 1   19   22    1 o   9.0870   2.2840 3.371000 4.567000 
1 1 1   19   22    2 o   10.820   2.1210 4.086000 4.241000 
1 1 1   19   22    3 o   6.1210   1.9470 0.2614000 3.893000 
1 1 1   19   22    4 o   9.0100   2.2160 -1.329000 4.431000 
1 1 1   19   22    5 o   10.600   2.1610 -1.210000 4.321000 
1 1 1   19   22    6 o   11.520   2.0640 3.515000 4.128000 
1 1 1   19   22    7 o   5.3050   1.7590 1.627000 3.518000 
1 1 1   19   22    8 o   8.6030   2.0950 3.420000 4.190000 
1 1 1   19   22    9 o   7.7720   2.0560 2.645000 4.112000 
1 1 1   19   22   10 o   9.9890   2.1470 0.3307000 4.295000 
1 1 1   19   22   11 o   13.350   1.7750 -0.4745000 3.551000 
1 1 1   19   22   12 o   7.4110   1.9580 -3.731000 3.915000 
1 1 1   19   22   13 o   10.070   2.0320 2.130000 4.063000 
1 1 1   19   22   14 o   5.6850   1.7970 -0.6079000E-01 3.594000 
1 1 1   19   22   15 o   9.6550   1.8510 -5.489000 3.703000 
1 1 1   19   23    0 o   5.6530   2.6250 -0.000000 0.000000 
1 1 1   19   23    1 o   6.5600   2.0220 1.023000 4.043000 
1 1 1   19   23    2 o   5.6920   1.8320 -2.483000 3.663000 
1 1 1   19   23    3 o   12.430   2.0300 2.776000 4.060000 
1 1 1   19   23    4 o   8.6990   2.2080 -1.486000 4.416000 
1 1 1   19   23    5 o   5.5620   1.8120 1.752000 3.623000 
1 1 1   19   23    6 o   7.3570   2.0910 1.303000 4.182000 
1 1 1   19   23    7 o   7.1190   2.0470 -1.511000 4.094000 
1 1 1   19   23    8 o   8.3090   2.1210 -1.579000 4.243000 
1 1 1   19   23    9 o   8.9490   1.8430 -6.530000 3.687000 
1 1 1   19   23   10 o   6.3170   1.9160 0.3542000 3.832000 
1 1 1   19   23   11 f   7.5910   1.8850 4.321000 3.770000 
1 1 1   19   23   12 o   10.460   1.9280 -2.266000 3.855000 
1 1 1   19   24    0 o   7.1870   2.9580 -0.000000 0.000000 
1 1 1   19   24    1 o   5.3090   1.7640 0.6423000 3.527000 
1 1 1   19   24    2 o   7.0330   1.9550 -4.412000 3.910000 
1 1 1   19   24    3 o   10.140   2.1030 -3.022000 4.206000 
1 1 1   19   24    4 o   8.0220   2.1410 0.3774000E-01 4.283000 
1 1 1   19   24    5 o   6.7370   2.0040 -0.8630000E-01 4.008000 
1 1 1   19   24    6 o   6.9660   2.0070 -1.164000 4.013000 
1 1 1   19   24    7 o   7.8460   2.0590 -2.000000 4.119000 
1 1 1   20    0    0 o   82.890   1.2300 -0.000000 0.000000 
1 1 1   20    0    1 o  108.100   1.1290 -0.000000 0.000000 
1 1 1   20    0    2 o   43.490   0.4817 -0.000000 0.000000 
1 1 1   20    0    3 o   4.3130   1.2360 -0.000000 0.000000 
1 1 1   20    0    4 o   53.420   0.6627 -0.000000 0.000000 
1 1 1   20    0    5 o   25.830   0.4140 -0.000000 0.000000 
1 1 1   20    0    6 o   68.670   0.8380 -0.000000 0.000000 
1 1 1   20    0    7 o   38.160   0.5008 -0.000000 0.000000 
1 1 1   20    0    8 o   11.360   0.5623 -0.000000 0.000000 
1 1 1   20    0    9 o  104.000   1.2570 -0.000000 0.000000 
1 1 1   20    0   10 o   10.170   0.8122 -0.000000 0.000000 
1 1 1   20    0   11 o   32.510   0.5676 -0.000000 0.000000 
1 1 1   20    0   12 o   43.980   0.6960 -0.000000 0.000000 
1 1 1   20    0   13 o   28.810   0.5396 -0.000000 0.000000 
1 1 1   20    0   14 o   74.240   1.1150 -0.000000 0.000000 
1 1 1   20    0   15 o   2.1940   1.0650 -0.000000 0.000000 
1 1 1   20    0   16 o   38.010   0.6438 -0.000000 0.000000 
1 1 1   20    0   17 o   23.290   0.5280 -0.000000 0.000000 
1 1 1   20    0   18 o   7.1810   2.4190 -0.000000 0.000000 
1 1 1   20    0   19 o   7.8590   2.4160 -0.000000 0.000000 
1 1 1   20    0   20 o   7.3850   2.6270 -0.000000 0.000000 
1 1 1   20    0   21 o   20.160   1.3060 -0.000000 0.000000 
1 1 1   20    0   22 o   67.870   1.4870 -0.000000 0.000000 
1 1 1   20    0   23 o   55.390   1.2900 -0.000000 0.000000 
1 1 1   20    0   24 o   8.1530   2.9140 -0.000000 0.000000 
1 1 1   20    0   25 o   18.660   1.8100 -0.000000 0.000000 
1 1 1   20    0   26 o   7.1150   2.9350 -0.000000 0.000000 
1 1 1   20    0   27 o   42.100   1.2770 -0.000000 0.000000 
1 1 1   20    0   28 o   31.550   1.4810 -0.000000 0.000000 
1 1 1   20    0   29 o   26.120   1.6690 -0.000000 0.000000 
1 1 1   20    0   30 o   11.200   3.3640 -0.000000 0.000000 
1 1 1   20    0   31 o   9.4690   3.4770 -0.000000 0.000000 
1 1 1   20    0   32 o   18.490   2.3770 -0.000000 0.000000 
1 1 1   20    0   33 o   10.090   3.5490 -0.000000 0.000000 
1 1 1   20    0   34 o   12.180   3.3510 -0.000000 0.000000 
1 1 1   20    0   35 o   12.980   3.2510 -0.000000 0.000000 
1 1 1   20    1    0 o   54.100   0.8205 -0.000000 0.000000 
1 1 1   20    1    1 o   26.820   0.3758 -11.53000 0.7516000 
1 1 1   20    1    2 o   77.620   0.8173 -8.317000 1.635000 
1 1 1   20    1    3 o  150.000   1.5640 3.690000 3.128000 
1 1 1   20    1    4 o   62.010   0.6586 0.3412000E-01 1.317000 
1 1 1   20    1    5 o   80.090   0.8419 1.546000 1.684000 
1 1 1   20    1    6 o  161.100   1.6800 -8.183000 3.360000 
1 1 1   20    1    7 o   14.750   0.4395 1.719000 0.8789000 
1 1 1   20    1    8 o   29.990   0.5516      ?      ? 
1 1 1   20    1    9 o   75.430   0.7957 1.914000 1.591000 
1 1 1   20    1   10 o   69.680   0.7382 1.388000 1.476000 
1 1 1   20    1   11 o   78.090   0.7562 -4.691000 1.512000 
1 1 1   20    1   12 o   52.390   0.6530      ?      ? 
1 1 1   20    1   13 o   61.040   0.7518      ?      ? 
1 1 1   20    1   14 o   8.7340   0.7180 2.645000 1.436000 
1 1 1   20    1   15 o   17.710   0.3934 3.621000 0.7867000 
1 1 1   20    1   16 o   18.150   0.4374 3.611000 0.8748000 
1 1 1   20    1   17 f   59.170   0.7947 -5.238000 1.589000 
1 1 1   20    1   18 o   35.410   0.4368 3.066000 0.8736000 
1 1 1   20    1   19 f   30.020   0.5675      ?      ? 
1 1 1   20    1   20 o   14.600   0.8653 -0.1770000 1.731000 
1 1 1   20    1   21 o   13.820   0.9066 -1.540000 1.813000 
1 1 1   20    1   22 o   64.760   1.0170 -8.698000 2.034000 
1 1 1   20    1   23 o   42.490   0.7957 0.5284000 1.591000 
1 1 1   20    1   24 o   7.8850   1.9700 2.677000 3.939000 
1 1 1   20    1   25 o   8.6120   2.1330 -1.988000 4.266000 
1 1 1   20    1   26 o   16.700   1.5250 -1.421000 3.050000 
1 1 1   20    1   27 f   36.870   0.9418 -0.4488000 1.884000 
1 1 1   20    1   28 o   14.490   2.0570 1.938000 4.113000 
1 1 1   20    1   29 o   31.600   1.0650 3.461000 2.130000 
1 1 1   20    1   30 f   8.4510   2.3370 2.288000 4.674000 
1 1 1   20    1   31 o   19.100   1.6420 0.3094000 3.285000 
1 1 1   20    1   32 o   12.860   2.3330 0.5437000 4.666000 
1 1 1   20    1   33 o   8.0470   2.2860 -2.819000 4.572000 
1 1 1   20    1   34 o   7.6350   2.1560 3.517000 4.312000 
1 1 1   20    1   35 o   13.270   2.2100 -2.680000 4.420000 
1 1 1   20    2    0 o  127.000   1.8750 -0.000000 0.000000 
1 1 1   20    2    1 o   42.590   0.4796 -3.384000 0.9593000 
1 1 1   20    2    2 o   58.760   0.6289 5.486000 1.258000 
1 1 1   20    2    3 o   23.440   0.3729 -1.750000 0.7458000 
1 1 1   20    2    4 o   29.530   0.3861 -2.627000 0.7722000 
1 1 1   20    2    5 o   31.480   0.4095 12.20000 0.8191000 
1 1 1   20    2    6 o   31.110   0.4020 6.351000 0.8041000 
1 1 1   20    2    7 o   36.380   0.4345 -6.116000 0.8690000 
1 1 1   20    2    8 o   41.330   0.4718 2.863000 0.9435000 
1 1 1   20    2    9 o   72.960   0.7725 2.691000 1.545000 
1 1 1   20    2   10 o  114.800   1.2020 6.832000 2.403000 
1 1 1   20    2   11 o   39.140   0.4610 -3.685000 0.9220000 
1 1 1   20    2   12 o   32.350   0.4210 -3.114000 0.8419000 
1 1 1   20    2   13 o   12.690   0.6175 -4.038000 1.235000 
1 1 1   20    2   14 o   70.580   0.6857 -1.312000 1.371000 
1 1 1   20    2   15 o   17.350   0.4322 -4.463000 0.8644000 
1 1 1   20    2   16 o   40.760   0.4438 -4.039000 0.8877000 
1 1 1   20    2   17 o   17.860   0.4251 -3.439000 0.8502000 
1 1 1   20    2   18 o   38.500   0.4278 1.142000 0.8556000 
1 1 1   20    2   19 o   32.570   0.4031 -1.965000 0.8062000 
1 1 1   20    2   20 o   46.600   0.5452 -4.055000 1.090000 
1 1 1   20    2   21 o   61.050   0.6718 2.256000 1.344000 
1 1 1   20    2   22 o   19.260   0.7697 -5.169000 1.539000 
1 1 1   20    2   23 o   33.750   0.6793      ?      ? 
1 1 1   20    2   24 o   33.010   0.6768      ?      ? 
1 1 1   20    2   27 o   34.340   0.7642 0.8340000E-01 1.528000 
1 1 1   20    2   28 o   19.580   2.0480      ?      ? 
1 1 1   20    2   29 o   17.160   1.5050 5.127000 3.010000 
1 1 1   20    2   30 o   16.050   1.3990 0.3083000 2.799000 
1 1 1   20    2   31 o   7.6700   1.9260 -7.093000 3.852000 
1 1 1   20    2   32 o   8.3240   2.3960 -0.6383000 4.793000 
1 1 1   20    2   33 o   11.720   2.4080 -1.452000 4.815000 
1 1 1   20    2   34 o   14.720   2.1520 6.105000 4.304000 
1 1 1   20    2   35 o   6.2440   2.0080 1.560000 4.016000 
1 1 1   20    3    0 o   6.9790   1.4640 -0.000000 0.000000 
1 1 1   20    3    1 o   76.370   0.8074 1.892000 1.615000 
1 1 1   20    3    2 o   55.900   0.6060 -2.682000 1.212000 
1 1 1   20    3    3 f   38.880   0.4605 -0.4134000 0.9210000 
1 1 1   20    3    4 o  104.200   1.0920 1.481000 2.183000 
1 1 1   20    3    5 o   71.190   0.7555 -0.7228000 1.511000 
1 1 1   20    3    6 o   78.050   0.8251 -4.894000 1.650000 
1 1 1   20    3    7 o  121.100   1.2660 5.453000 2.533000 
1 1 1   20    3    8 o  121.400   1.2700 7.236000 2.539000 
1 1 1   20    3    9 o   91.100   0.9588 6.655000 1.918000 
1 1 1   20    3   10 o   35.930   0.4478 -2.032000 0.8956000 
1 1 1   20    3   11 o   89.160   0.8606 -3.449000 1.721000 
1 1 1   20    3   12 o   29.050   0.4165 -5.017000 0.8329000 
1 1 1   20    3   13 f   28.120   0.4913      ?      ? 
1 1 1   20    3   14 o   43.650   0.5870      ?      ? 
1 1 1   20    3   15 o   18.310   0.4817 -0.2240000 0.9634000 
1 1 1   20    3   16 o   18.260   0.4837 -3.176000 0.9674000 
1 1 1   20    3   17 o   32.110   0.4121 2.897000 0.8242000 
1 1 1   20    3   18 o   26.500   0.4221 -0.6459000 0.8442000 
1 1 1   20    3   19 o   47.930   0.6297      ?      ? 
1 1 1   20    3   20 o   49.590   0.5209 0.6446000 1.042000 
1 1 1   20    3   21 o   12.600   0.6952 -4.911000 1.390000 
1 1 1   20    3   22 o   59.490   0.6058 -1.949000 1.212000 
1 1 1   20    3   23 o   38.050   0.4717 0.3134000 0.9433000 
1 1 1   20    3   24 o   62.770   0.8309 -0.7720000 1.662000 
1 1 1   20    3   25 o   15.470   2.2530      ?      ? 
1 1 1   20    3   26 o   17.210   1.3600 3.493000 2.719000 
1 1 1   20    3   27 o   7.3420   3.0910      ?      ? 
1 1 1   20    3   29 o   19.040   1.1480      ?      ? 
1 1 1   20    3   30 f   20.530   1.0980      ?      ? 
1 1 1   20    3   31 o   21.950   1.0090      ?      ? 
1 1 1   20    3   32 o   17.140   1.2260      ?      ? 
1 1 1   20    3   33 o   21.700   1.2290 2.678000 2.458000 
1 1 1   20    3   34 o   10.730   1.9490 -6.176000 3.898000 
1 1 1   20    3   35 o   13.550   1.6500 3.739000 3.300000 
1 1 1   20    4    0 o   96.090   1.4290 -0.000000 0.000000 
1 1 1   20    4    1 o   54.470   0.6038 13.05000 1.208000 
1 1 1   20    4    2 o   76.730   0.8146 1.026000 1.629000 
1 1 1   20    4    3 o   16.910   0.7204 15.37000 1.441000 
1 1 1   20    4    4 o  132.400   1.3830 3.117000 2.766000 
1 1 1   20    4    5 o   49.890   0.5573 0.3611000 1.115000 
1 1 1   20    4    6 f  163.200   1.7030 -7.158000 3.406000 
1 1 1   20    4    7 f   33.670   0.4497 -0.5449000E-01 0.8995000 
1 1 1   20    4    8 o   14.300   0.6058 1.651000 1.212000 
1 1 1   20    4    9 o   71.920   0.6939 9.572000 1.388000 
1 1 1   20    4   10 o   51.970   0.6673      ?      ? 
1 1 1   20    4   11 o   46.070   0.4850 -0.1579000 0.9699000 
1 1 1   20    4   12 f   7.5840   1.1440 2.651000 2.288000 
1 1 1   20    4   13 o   80.130   0.7791 -3.474000 1.558000 
1 1 1   20    4   14 o   4.8670   1.2810 -1.031000 2.563000 
1 1 1   20    4   15 o   20.960   0.4841 -1.308000 0.9683000 
1 1 1   20    4   16 o   22.060   0.4825 0.5082000E-01 0.9649000 
1 1 1   20    4   17 o   32.390   0.4379 4.301000 0.8757000 
1 1 1   20    4   18 o   27.660   0.4802 -0.1262000 0.9605000 
1 1 1   20    4   19 o   22.950   0.5560 2.544000 1.112000 
1 1 1   20    4   20 o   74.980   0.7386 -2.086000 1.477000 
1 1 1   20    4   21 o   18.900   0.5992 -0.8054000 1.198000 
1 1 1   20    4   22 o   51.960   0.5559 -2.443000 1.112000 
1 1 1   20    4   23 o   22.180   0.6255 4.610000 1.251000 
1 1 1   20    4   24 o   38.700   0.5066 -0.2891000 1.013000 
1 1 1   20    4   25 o   22.310   0.8403 -3.026000 1.681000 
1 1 1   20    4   26 o   17.080   1.2490 1.026000 2.498000 
1 1 1   20    4   27 o   8.4430   1.6270 3.497000 3.254000 
1 1 1   20    4   28 o   13.110   1.8060 0.8467000 3.612000 
1 1 1   20    4   29 o   15.970   1.5880 -0.2346000 3.175000 
1 1 1   20    4   30 o   21.370   1.1850 0.5292000 2.370000 
1 1 1   20    4   31 o   15.160   1.7130 -2.440000 3.427000 
1 1 1   20    4   32 o   19.280   1.3710 -1.608000 2.742000 
1 1 1   20    4   33 o   8.9190   2.4440      ?      ? 
1 1 1   20    4   34 o   8.0120   2.5110      ?      ? 
1 1 1   20    5    0 o   57.930   0.9042 -0.000000 0.000000 
1 1 1   20    5    1 o  100.300   1.0560 -6.448000 2.111000 
1 1 1   20    5    2 o   13.480   0.7192 -1.509000 1.438000 
1 1 1   20    5    3 o   46.410   0.5433 -7.915000 1.087000 
1 1 1   20    5    4 o   78.320   0.8334 4.145000 1.667000 
1 1 1   20    5    5 o  133.500   1.2710 2.987000 2.543000 
1 1 1   20    5    6 o   65.850   0.6621 -11.77000 1.324000 
1 1 1   20    5    7 o  175.300   1.6680 1.556000 3.336000 
1 1 1   20    5    8 o   43.690   0.4767 0.1523000 0.9533000 
1 1 1   20    5    9 o   99.070   0.9507 1.163000 1.901000 
1 1 1   20    5   10 o   15.350   0.6225 -5.217000 1.245000 
1 1 1   20    5   11 o   17.400   0.5724 -4.206000 1.145000 
1 1 1   20    5   12 o   25.650   0.4563 -6.302000 0.9126000 
1 1 1   20    5   13 o   31.280   0.3839 -0.1830000 0.7678000 
1 1 1   20    5   14 o   50.970   0.4745 4.971000 0.9490000 
1 1 1   20    5   15 o   29.990   0.4291 -1.493000 0.8582000 
1 1 1   20    5   16 o   32.790   0.3953 1.796000 0.7906000 
1 1 1   20    5   17 o   30.120   0.3970 -1.843000 0.7941000 
1 1 1   20    5   18 f   17.030   0.6270 -0.6678000 1.254000 
1 1 1   20    5   19 o   54.110   0.5053 1.178000 1.011000 
1 1 1   20    5   20 o   26.180   0.4375 -1.341000 0.8751000 
1 1 1   20    5   21 o   77.370   0.7619 -0.5633000 1.524000 
1 1 1   20    5   22 o   63.040   0.5737 -1.330000 1.147000 
1 1 1   20    5   23 o   33.770   0.4324 -2.441000 0.8649000 
1 1 1   20    5   24 o   9.0460   1.3080 -2.934000 2.615000 
1 1 1   20    5   25 o   29.020   0.5497 0.6926000 1.099000 
1 1 1   20    5   26 o   46.830   0.4880 1.004000 0.9760000 
1 1 1   20    5   27 o   8.1990   1.4150 2.605000 2.830000 
1 1 1   20    5   28 o   24.350   0.6516 0.6547000 1.303000 
1 1 1   20    5   29 o   13.420   0.9713 1.686000 1.943000 
1 1 1   20    5   30 o   16.170   0.9327 -3.905000 1.865000 
1 1 1   20    5   31 o   25.120   0.5736 -0.8511000E-01 1.147000 
1 1 1   20    5   32 o   8.8590   1.3630 4.697000 2.727000 
1 1 1   20    5   33 o   9.0060   1.3660 -0.2565000E-01 2.731000 
1 1 1   20    5   34 f   6.3960   1.4410 1.387000 2.881000 
1 1 1   20    6    0 o  142.400   2.1090 -0.000000 0.000000 
1 1 1   20    6    1 o   83.660   0.8898 4.927000 1.780000 
1 1 1   20    6    2 o   40.790   0.4700 -0.3011000 0.9400000 
1 1 1   20    6    3 o   59.270   0.6046 -5.641000 1.209000 
1 1 1   20    6    4 o   60.780   0.6101 1.345000 1.220000 
1 1 1   20    6    5 o   59.300   0.6011 -2.337000 1.202000 
1 1 1   20    6    6 o  102.200   0.9826 -0.1399000 1.965000 
1 1 1   20    6    7 o   3.5670   1.1570 -1.477000 2.314000 
1 1 1   20    6    8 o   35.570   0.4067 0.2416000 0.8134000 
1 1 1   20    6    9 o   26.060   0.4084 -2.786000 0.8168000 
1 1 1   20    6   10 o   53.500   0.4949 5.196000 0.9898000 
1 1 1   20    6   11 f   29.990   0.4059 -1.644000 0.8119000 
1 1 1   20    6   12 o   29.530   0.4074 2.789000 0.8148000 
1 1 1   20    6   13 o   53.400   0.4974 1.808000 0.9948000 
1 1 1   20    6   14 o   17.960   0.5455 0.7109000 1.091000 
1 1 1   20    6   15 o   37.420   0.4227 1.082000 0.8455000 
1 1 1   20    6   16 o   21.310   0.4889 1.817000 0.9779000 
1 1 1   20    6   17 o   32.720   0.5087 -0.7500000 1.017000 
1 1 1   20    6   18 o   50.030   0.4854 0.6194000 0.9708000 
1 1 1   20    6   19 o   38.570   0.4984 -0.3389000 0.9967000 
1 1 1   20    6   20 o   31.520   0.4494 -1.672000 0.8988000 
1 1 1   20    6   21 o   20.730   0.5604 -1.812000 1.121000 
1 1 1   20    6   22 o   16.890   0.7762 1.345000 1.552000 
1 1 1   20    6   23 o   32.040   0.4735 -1.257000 0.9469000 
1 1 1   20    6   24 o   38.610   0.5331 0.2177000E-01 1.066000 
1 1 1   20    6   25 o   25.500   0.5405 2.118000 1.081000 
1 1 1   20    6   26 o   36.740   0.4902 -2.199000 0.9805000 
1 1 1   20    6   27 o   22.200   0.6371 -0.2192000 1.274000 
1 1 1   20    6   28 o   36.490   0.5609 1.638000 1.122000 
1 1 1   20    6   29 o   26.360   0.6289 -0.1776000 1.258000 
1 1 1   20    6   30 o   13.670   1.1020 -0.6399000 2.204000 
1 1 1   20    6   31 o   11.550   1.3760 3.870000 2.753000 
1 1 1   20    6   32 o   15.780   0.9206 -0.3402000 1.841000 
1 1 1   20    6   33 o   4.8890   1.4880 -2.573000 2.976000 
1 1 1   20    6   34 o   14.200   1.0200 2.153000 2.041000 
1 1 1   20    7    0 o   22.890   0.6327 -0.000000 0.000000 
1 1 1   20    7    1 o   51.390   0.4873 1.410000 0.9745000 
1 1 1   20    7    2 o   84.790   0.7380 3.847000 1.476000 
1 1 1   20    7    3 o   67.910   0.6053 -2.930000 1.211000 
1 1 1   20    7    4 o   21.670   0.5443 2.500000 1.089000 
1 1 1   20    7    5 o   41.770   0.4377 -3.950000 0.8754000 
1 1 1   20    7    6 o   44.700   0.4989 0.9441000 0.9979000 
1 1 1   20    7    7 o   48.140   0.4729 -2.418000 0.9458000 
1 1 1   20    7    8 o   29.910   0.4284 1.628000 0.8567000 
1 1 1   20    7    9 o   41.080   0.4385 -2.733000 0.8769000 
1 1 1   20    7   10 o   22.100   0.5268 -6.165000 1.054000 
1 1 1   20    7   11 o   36.960   0.4308 3.986000 0.8616000 
1 1 1   20    7   12 o   13.650   0.7554 3.706000 1.511000 
1 1 1   20    7   13 o   8.8840   1.2000 0.6960000 2.401000 
1 1 1   20    7   14 o   68.260   0.6102 -1.310000 1.220000 
1 1 1   20    7   15 o   23.790   0.4990 -1.514000 0.9980000 
1 1 1   20    7   16 o   54.240   0.5823 -2.962000 1.165000 
1 1 1   20    7   17 o   10.370   1.2330 5.619000 2.466000 
1 1 1   20    7   18 o   30.550   0.5332 2.440000 1.066000 
1 1 1   20    7   19 o   27.900   0.5893 -4.129000 1.179000 
1 1 1   20    7   20 o   32.970   0.4788 3.648000 0.9576000 
1 1 1   20    7   21 o   32.120   0.4784 -0.6109000 0.9569000 
1 1 1   20    7   22 o   24.510   0.6313 0.8239000 1.263000 
1 1 1   20    7   23 o   18.370   0.7321 0.1367000 1.464000 
1 1 1   20    7   24 o   32.310   0.5111 -0.1504000 1.022000 
1 1 1   20    7   25 o   24.400   0.6075 0.4918000E-01 1.215000 
1 1 1   20    7   26 o   58.060   0.5728 -0.3290000 1.146000 
1 1 1   20    7   27 o   28.010   0.5912 -3.391000 1.182000 
1 1 1   20    7   28 o   16.210   0.9356 0.4479000 1.871000 
1 1 1   20    7   29 o   20.810   0.7448 0.8694000 1.490000 
1 1 1   20    7   30 f   19.270   0.8809 1.881000 1.762000 
1 1 1   20    7   31 o   9.6340   1.5660 -7.599000 3.133000 
1 1 1   20    7   32 o   12.580   1.3870 4.458000 2.774000 
1 1 1   20    7   33 o   6.5720   1.5900 -4.874000 3.180000 
1 1 1   20    8    0 o   75.020   0.9400 -0.000000 0.000000 
1 1 1   20    8    1 o   61.820   0.5309 -2.034000 1.062000 
1 1 1   20    8    2 o   49.140   0.5130 -0.8733000 1.026000 
1 1 1   20    8    3 o   25.240   0.4557 5.531000 0.9114000 
1 1 1   20    8    4 o   82.120   0.6767 5.079000 1.353000 
1 1 1   20    8    5 o  122.300   0.9825 1.595000 1.965000 
1 1 1   20    8    6 o   38.090   0.4168 -1.770000 0.8335000 
1 1 1   20    8    7 o   35.280   0.4216 0.1284000 0.8432000 
1 1 1   20    8    8 o   43.470   0.4340 -4.829000 0.8681000 
1 1 1   20    8    9 o   35.790   0.4486 0.9528000 0.8971000 
1 1 1   20    8   10 f   23.170   0.6061 0.5405000 1.212000 
1 1 1   20    8   11 o   23.740   0.5313 1.470000 1.063000 
1 1 1   20    8   12 o   60.260   0.5606 -2.519000 1.121000 
1 1 1   20    8   13 o   18.800   0.6247 0.6008000 1.249000 
1 1 1   20    8   14 o   8.0160   1.4040 1.146000 2.807000 
1 1 1   20    8   15 o   54.690   0.5282 -2.749000 1.056000 
1 1 1   20    8   16 o   44.510   0.5419 -0.8895000 1.084000 
1 1 1   20    8   17 o   30.930   0.5569 1.012000 1.114000 
1 1 1   20    8   18 o   21.250   0.7241 0.2115000 1.448000 
1 1 1   20    8   19 o   40.730   0.4924 -0.3294000 0.9848000 
1 1 1   20    8   20 o   7.8710   1.4430 5.171000 2.887000 
1 1 1   20    8   21 o   10.720   1.3130 1.994000 2.626000 
1 1 1   20    8   22 o   20.790   0.8061 0.5869000 1.612000 
1 1 1   20    8   23 o   33.950   0.6190 1.392000 1.238000 
1 1 1   20    8   24 o   23.200   0.6778 -1.995000 1.356000 
1 1 1   20    8   25 o   40.000   0.5313 -1.248000 1.063000 
1 1 1   20    8   26 o   22.770   0.7217 -2.184000 1.443000 
1 1 1   20    8   27 o   9.2880   1.6880 -0.6299000 3.375000 
1 1 1   20    8   28 o   15.570   1.0800 1.788000 2.160000 
1 1 1   20    8   29 o   18.860   0.8594 1.156000 1.719000 
1 1 1   20    8   30 o   12.320   1.3370 0.3993000 2.673000 
1 1 1   20    8   31 o   17.660   0.9588 -0.5389000 1.918000 
1 1 1   20    8   32 o   7.3340   1.7600 -2.684000 3.519000 
1 1 1   20    8   33 o   11.200   1.4260 -2.178000 2.852000 
1 1 1   20    9    0 o   6.9080   1.9600 -0.000000 0.000000 
1 1 1   20    9    1 o   28.740   0.4241 3.395000 0.8482000 
1 1 1   20    9    2 o   54.440   0.4558 1.956000 0.9116000 
1 1 1   20    9    3 o   28.730   0.4656 1.431000 0.9312000 
1 1 1   20    9    4 o   28.260   0.4720 -0.8692000 0.9439000 
1 1 1   20    9    5 o   34.990   0.4437 0.4687000 0.8874000 
1 1 1   20    9    6 o   6.4090   1.4250 3.522000 2.849000 
1 1 1   20    9    7 o   28.990   0.4631 1.321000 0.9262000 
1 1 1   20    9    8 o   28.040   0.4735 0.4333000 0.9470000 
1 1 1   20    9    9 o   34.480   0.4475 2.968000 0.8950000 
1 1 1   20    9   10 o   16.730   0.7251 5.618000 1.450000 
1 1 1   20    9   11 o   18.540   0.6794 -0.8674000 1.359000 
1 1 1   20    9   12 o   14.180   0.8602 -1.480000 1.720000 
1 1 1   20    9   13 o   33.950   0.5201 -2.743000 1.040000 
1 1 1   20    9   14 o   29.460   0.4827 2.070000 0.9653000 
1 1 1   20    9   15 o   45.690   0.4674 -0.1703000 0.9349000 
1 1 1   20    9   16 o   36.290   0.5367 -0.4114000 1.073000 
1 1 1   20    9   17 o   37.990   0.4684 -0.9198000 0.9369000 
1 1 1   20    9   18 o   17.630   0.7577 1.608000 1.515000 
1 1 1   20    9   19 o   44.700   0.4880 -0.8275000 0.9759000 
1 1 1   20    9   20 o   16.740   0.9028 2.704000 1.806000 
1 1 1   20    9   21 o   15.950   1.1050 -0.5130000 2.209000 
1 1 1   20    9   22 o   26.010   0.7391 1.696000 1.478000 
1 1 1   20    9   23 o   15.890   1.0570 2.662000 2.115000 
1 1 1   20    9   24 o   44.020   0.6403 -2.057000 1.281000 
1 1 1   20    9   25 o   32.940   0.6199 -2.364000 1.240000 
1 1 1   20    9   26 o   15.220   1.1620 1.548000 2.324000 
1 1 1   20    9   27 o   5.8410   1.7270 -1.715000 3.453000 
1 1 1   20    9   28 o   22.070   0.8231 -1.191000 1.646000 
1 1 1   20    9   29 o   17.040   1.0080 2.384000 2.016000 
1 1 1   20    9   30 o   15.930   1.0170 -0.8568000E-01 2.035000 
1 1 1   20    9   31 o   20.750   0.7650 -0.8760000E-01 1.530000 
1 1 1   20    9   32 o   13.300   1.2110 -1.955000 2.421000 
1 1 1   20   10    0 o   21.560   0.7616 -0.000000 0.000000 
1 1 1   20   10    1 o   15.890   0.6996 -0.3155000 1.399000 
1 1 1   20   10    2 o   49.480   0.4466 -2.016000 0.8933000 
1 1 1   20   10    3 o   34.460   0.4261 -0.7490000 0.8522000 
1 1 1   20   10    4 o   39.660   0.4228 -1.442000 0.8455000 
1 1 1   20   10    5 o   41.340   0.4620 -1.433000 0.9241000 
1 1 1   20   10    6 o   28.720   0.5035 -1.685000 1.007000 
1 1 1   20   10    7 f   57.650   0.5232 -0.4195000 1.046000 
1 1 1   20   10    8 o   24.060   0.5739 7.534000 1.148000 
1 1 1   20   10    9 o   10.970   1.2230 -2.906000 2.446000 
1 1 1   20   10   10 o   18.280   0.7147 -1.106000 1.429000 
1 1 1   20   10   11 o   18.430   0.7083 -0.5659000 1.417000 
1 1 1   20   10   12 o   26.260   0.5348 2.244000 1.070000 
1 1 1   20   10   13 o   40.290   0.5407 0.3637000 1.081000 
1 1 1   20   10   14 f   23.600   0.5981 0.4615000 1.196000 
1 1 1   20   10   15 o   62.180   0.5577 0.1598000 1.115000 
1 1 1   20   10   16 o   63.260   0.6456 1.559000 1.291000 
1 1 1   20   10   17 o   26.460   0.5847 1.179000 1.169000 
1 1 1   20   10   18 o   59.340   0.5498 -2.950000 1.100000 
1 1 1   20   10   19 o   23.590   0.7875 5.256000 1.575000 
1 1 1   20   10   20 o   35.770   0.5404 1.180000 1.081000 
1 1 1   20   10   21 o   11.900   1.3870 3.605000 2.774000 
1 1 1   20   10   22 o   27.170   0.6552 4.412000 1.310000 
1 1 1   20   10   23 o   29.450   0.6399 -3.358000 1.280000 
1 1 1   20   10   24 o   14.790   1.4450 6.409000 2.891000 
1 1 1   20   10   25 o   20.340   0.9037 1.016000 1.807000 
1 1 1   20   10   26 o   5.9130   1.7590 0.6370000 3.518000 
1 1 1   20   10   27 o   23.390   0.8895 -2.953000 1.779000 
1 1 1   20   10   28 o   19.150   0.9536 1.293000 1.907000 
1 1 1   20   10   29 o   10.930   1.6060 -4.526000 3.213000 
1 1 1   20   10   30 o   12.790   1.3410 2.178000 2.682000 
1 1 1   20   10   31 o   10.150   1.6080 -0.6289000 3.215000 
1 1 1   20   10   32 o   8.6330   1.6840 0.6644000 3.368000 
1 1 1   20   11    0 o   9.9560   1.7720 -0.000000 0.000000 
1 1 1   20   11    1 o   36.910   0.4459 0.3318000 0.8917000 
1 1 1   20   11    2 f   29.220   0.4735 2.665000 0.9470000 
1 1 1   20   11    3 o   46.240   0.4474 -3.942000 0.8947000 
1 1 1   20   11    4 o   30.150   0.4758 4.293000 0.9515000 
1 1 1   20   11    5 o   37.380   0.4440 -0.6149000 0.8881000 
1 1 1   20   11    6 o   16.410   0.7667 -1.568000 1.533000 
1 1 1   20   11    7 o   37.440   0.4510 1.165000 0.9020000 
1 1 1   20   11    8 o   13.890   1.0620 -3.210000 2.124000 
1 1 1   20   11    9 o   35.660   0.4969 -2.069000 0.9939000 
1 1 1   20   11   10 o   26.210   0.5871 -1.885000 1.174000 
1 1 1   20   11   11 o   33.220   0.5051 1.235000 1.010000 
1 1 1   20   11   12 o   17.500   1.0110 -3.682000 2.021000 
1 1 1   20   11   13 o   17.480   0.8369 1.960000 1.674000 
1 1 1   20   11   14 o   47.350   0.5009 0.7636000 1.002000 
1 1 1   20   11   15 o   34.670   0.5190 2.653000 1.038000 
1 1 1   20   11   16 o   23.470   0.6733 -0.5019000 1.347000 
1 1 1   20   11   17 o   15.200   1.0400 1.602000 2.080000 
1 1 1   20   11   18 o   43.760   0.5288 2.206000 1.058000 
1 1 1   20   11   19 f   16.640   0.9983 0.4025000 1.997000 
1 1 1   20   11   20 o   29.300   0.6313 0.1930000 1.263000 
1 1 1   20   11   21 o   47.650   0.5468 0.9380000 1.094000 
1 1 1   20   11   22 o   5.4120   1.6810 1.104000 3.362000 
1 1 1   20   11   23 o   16.460   1.2100 6.367000 2.420000 
1 1 1   20   11   24 o   27.530   0.7391 -0.8837000 1.478000 
1 1 1   20   11   25 o   8.3930   1.9660 0.5907000 3.933000 
1 1 1   20   11   26 o   18.610   1.0520 0.6581000 2.105000 
1 1 1   20   11   27 o   18.340   1.0790 -0.9976000 2.158000 
1 1 1   20   11   28 o   6.7910   1.8400 -2.363000 3.681000 
1 1 1   20   11   29 f   7.0320   1.8720 -0.6195000 3.744000 
1 1 1   20   11   30 o   15.140   1.2450 5.339000 2.490000 
1 1 1   20   11   31 f   5.7210   1.7200 0.6463000 3.440000 
1 1 1   20   12    0 o   21.530   0.8877 -0.000000 0.000000 
1 1 1   20   12    1 o   22.360   0.6146 0.8361000 1.229000 
1 1 1   20   12    2 o   24.520   0.5742 3.120000 1.148000 
1 1 1   20   12    3 o   24.670   0.5701 -0.1135000 1.140000 
1 1 1   20   12    4 o   23.360   0.5984 -0.6438000 1.197000 
1 1 1   20   12    5 o   8.2700   1.5680 0.6206000 3.136000 
1 1 1   20   12    6 o   65.830   0.5430 -1.247000 1.086000 
1 1 1   20   12    7 o   11.500   1.1950 -0.3728000 2.390000 
1 1 1   20   12    8 o   29.730   0.5152 0.3316000 1.030000 
1 1 1   20   12    9 o   44.350   0.4698 -3.622000 0.9396000 
1 1 1   20   12   10 o   24.420   0.6579 4.817000 1.316000 
1 1 1   20   12   11 f   11.090   1.6390 -2.502000 3.279000 
1 1 1   20   12   12 o   41.040   0.5221 1.888000 1.044000 
1 1 1   20   12   13 o   33.400   0.5542 -0.4731000 1.108000 
1 1 1   20   12   14 o   10.750   1.5190 -1.040000 3.038000 
1 1 1   20   12   15 o   19.620   0.9691 5.218000 1.938000 
1 1 1   20   12   16 f   11.410   1.7160 1.222000 3.432000 
1 1 1   20   12   17 f   19.800   0.8851 -0.8487000 1.770000 
1 1 1   20   12   18 o   14.830   1.2460 -3.025000 2.492000 
1 1 1   20   12   19 o   18.830   0.9876 -0.2423000 1.975000 
1 1 1   20   12   20 o   8.8440   1.8700 2.597000 3.739000 
1 1 1   20   12   21 o   12.170   1.5960 -0.2090000 3.193000 
1 1 1   20   12   22 o   15.160   1.3650 6.725000 2.730000 
1 1 1   20   12   23 o   13.350   1.5620 -2.888000 3.124000 
1 1 1   20   12   24 o   24.590   0.8619 -1.515000 1.724000 
1 1 1   20   12   25 o   9.9910   1.8620 -3.800000 3.723000 
1 1 1   20   12   26 o   9.1680   1.9090 -3.644000 3.818000 
1 1 1   20   12   27 o   17.350   1.1730 0.2205000 2.346000 
1 1 1   20   12   28 o   7.5160   1.9550 0.9464000 3.909000 
1 1 1   20   12   29 o   5.0160   1.6230 1.627000 3.247000 
1 1 1   20   12   30 o   10.730   1.7390 -0.4815000 3.478000 
1 1 1   20   13    0 o   8.2670   2.3380 -0.000000 0.000000 
1 1 1   20   13    1 o   23.480   0.6569 3.880000 1.314000 
1 1 1   20   13    2 o   28.000   0.6050 2.963000 1.210000 
1 1 1   20   13    3 o   24.550   0.6180 1.776000 1.236000 
1 1 1   20   13    4 o   33.380   0.5135 0.7322000 1.027000 
1 1 1   20   13    5 o   25.690   0.6010 -1.827000 1.202000 
1 1 1   20   13    6 o   28.610   0.5786 -0.2408000 1.157000 
1 1 1   20   13    7 o   21.260   0.7193 1.202000 1.439000 
1 1 1   20   13    8 o   10.590   1.5530 -4.536000 3.106000 
1 1 1   20   13    9 o   50.890   0.4956 -2.509000 0.9913000 
1 1 1   20   13   10 o   15.300   1.0750 2.990000 2.149000 
1 1 1   20   13   11 o   64.240   0.5950 1.466000 1.190000 
1 1 1   20   13   12 o   24.820   0.7055 1.267000 1.411000 
1 1 1   20   13   13 o   9.9930   1.6290 5.621000 3.259000 
1 1 1   20   13   14 o   16.090   1.1270 -2.132000 2.254000 
1 1 1   20   13   15 o   13.000   1.7000 -3.646000 3.400000 
1 1 1   20   13   16 o   38.790   0.6865 1.177000 1.373000 
1 1 1   20   13   17 o   22.260   0.8558 1.281000 1.712000 
1 1 1   20   13   18 o   42.450   0.5809 0.2485000E-01 1.162000 
1 1 1   20   13   19 o   12.800   1.5780 0.4470000 3.155000 
1 1 1   20   13   20 o   28.360   0.7563 1.803000 1.513000 
1 1 1   20   13   21 o   29.380   0.7546 -1.594000 1.509000 
1 1 1   20   13   22 o   6.5250   1.9100 0.4015000 3.820000 
1 1 1   20   13   23 o   15.220   1.4490 3.860000 2.897000 
1 1 1   20   13   24 o   9.8580   2.0210 -0.5010000 4.042000 
1 1 1   20   13   25 o   12.800   1.7150 3.053000 3.429000 
1 1 1   20   13   26 o   6.9240   1.9420 -1.536000 3.883000 
1 1 1   20   13   27 o   23.470   0.9103 -0.6972000 1.821000 
1 1 1   20   13   28 o   6.7440   1.9280 1.301000 3.856000 
1 1 1   20   13   29 o   9.3880   1.9410 2.224000 3.882000 
1 1 1   20   13   30 o   10.680   1.8420 3.404000 3.685000 
1 1 1   20   14    0 o   39.300   0.7270 -0.000000 0.000000 
1 1 1   20   14    1 o   47.570   0.5055 -1.950000 1.011000 
1 1 1   20   14    2 f   37.690   0.5174 2.080000 1.035000 
1 1 1   20   14    3 o   44.660   0.5045 -0.1950000 1.009000 
1 1 1   20   14    4 o   16.120   0.9884 -0.8669000 1.977000 
1 1 1   20   14    5 o   12.660   1.3100 4.463000 2.620000 
1 1 1   20   14    6 o   50.760   0.5128 2.830000 1.026000 
1 1 1   20   14    7 o   36.280   0.5425 4.382000 1.085000 
1 1 1   20   14    8 o   27.070   0.6517 -1.255000 1.303000 
1 1 1   20   14    9 o   38.590   0.5307 0.3384000E-02 1.061000 
1 1 1   20   14   10 o   7.1640   1.7750 -1.699000 3.550000 
1 1 1   20   14   11 o   7.9000   1.6090 5.619000 3.219000 
1 1 1   20   14   12 o   24.670   0.7138 0.2176000E-01 1.428000 
1 1 1   20   14   13 o   13.650   1.4820 12.24000 2.965000 
1 1 1   20   14   14 o   15.010   1.3720 5.312000 2.745000 
1 1 1   20   14   15 o   29.910   0.7030 2.904000 1.406000 
1 1 1   20   14   16 o   12.060   1.6680 1.035000 3.336000 
1 1 1   20   14   17 o   13.810   1.5550 -3.769000 3.110000 
1 1 1   20   14   18 o   11.740   1.8560 8.994000 3.713000 
1 1 1   20   14   19 o   12.290   1.9930 2.116000 3.986000 
1 1 1   20   14   20 o   13.230   1.6620 1.667000 3.323000 
1 1 1   20   14   21 o   12.360   1.8060 5.897000 3.612000 
1 1 1   20   14   22 o   15.520   1.4500 2.085000 2.899000 
1 1 1   20   14   23 o   8.4270   2.0210 4.201000 4.042000 
1 1 1   20   14   24 o   19.440   1.1710 0.7435000 2.343000 
1 1 1   20   14   25 o   9.1920   1.9410 5.170000 3.881000 
1 1 1   20   14   26 o   6.4480   1.9140 0.5416000 3.828000 
1 1 1   20   14   27 o   8.8960   2.2130 1.120000 4.425000 
1 1 1   20   14   28 o   7.5930   1.9670 -1.235000 3.933000 
1 1 1   20   14   29 o   6.6680   1.9180 1.119000 3.835000 
1 1 1   20   15    0 o   11.490   2.3800 -0.000000 0.000000 
1 1 1   20   15    1 o   43.580   0.5285 -1.533000 1.057000 
1 1 1   20   15    2 o   49.930   0.5236 -0.7700000 1.047000 
1 1 1   20   15    3 o   42.430   0.5343 -1.270000 1.069000 
1 1 1   20   15    4 o   16.970   1.0260 -3.001000 2.053000 
1 1 1   20   15    5 o   32.850   0.5907 -0.3959000E-01 1.181000 
1 1 1   20   15    6 o   13.470   1.2990 0.5894000 2.598000 
1 1 1   20   15    7 o   16.490   1.0860 2.804000 2.173000 
1 1 1   20   15    8 o   35.700   0.6199 2.107000 1.240000 
1 1 1   20   15    9 f   6.8490   1.8220 0.9250000 3.643000 
1 1 1   20   15   10 o   14.170   1.2680 0.3923000 2.536000 
1 1 1   20   15   11 o   26.170   0.7263 -1.234000 1.453000 
1 1 1   20   15   12 o   28.100   0.7099 -1.299000 1.420000 
1 1 1   20   15   13 o   19.560   0.9624 -0.9671000 1.925000 
1 1 1   20   15   14 o   13.340   1.6280 9.095000 3.256000 
1 1 1   20   15   15 o   9.1930   1.8660 5.701000 3.733000 
1 1 1   20   15   16 o   15.460   1.3740 0.3171000 2.748000 
1 1 1   20   15   17 o   9.0520   2.0640 0.3118000 4.129000 
1 1 1   20   15   18 o   9.9770   2.0220 -0.4557000E-01 4.045000 
1 1 1   20   15   19 o   21.970   1.0480 -1.938000 2.096000 
1 1 1   20   15   20 o   17.910   1.2950 1.337000 2.590000 
1 1 1   20   15   21 o   11.370   1.9260 -4.842000 3.852000 
1 1 1   20   15   22 o   7.3040   2.0810 -1.298000 4.163000 
1 1 1   20   15   23 f   12.390   1.8650 -0.6921000 3.730000 
1 1 1   20   15   24 o   16.170   1.4100 2.945000 2.819000 
1 1 1   20   15   25 o   7.5090   2.0280 1.086000 4.056000 
1 1 1   20   15   26 o   11.040   1.8720 -4.710000 3.744000 
1 1 1   20   15   27 o   6.3370   1.8450 -2.226000 3.689000 
1 1 1   20   15   28 o   6.1380   1.8770 -0.1610000 3.754000 
1 1 1   20   16    0 o   6.9630   2.6420 -0.000000 0.000000 
1 1 1   20   16    1 o   44.960   0.5461 -0.3863000 1.092000 
1 1 1   20   16    2 o   39.100   0.5702 0.7410000 1.140000 
1 1 1   20   16    3 o   19.960   0.9296 -2.740000 1.859000 
1 1 1   20   16    4 o   34.410   0.6124 0.1494000 1.225000 
1 1 1   20   16    5 o   27.650   0.7127 -3.128000 1.425000 
1 1 1   20   16    6 o   31.500   0.6440 -2.368000 1.288000 
1 1 1   20   16    7 o   14.780   1.5350 5.110000 3.071000 
1 1 1   20   16    8 o   57.580   0.5621 1.014000 1.124000 
1 1 1   20   16    9 o   9.4500   1.8440 3.056000 3.689000 
1 1 1   20   16   10 o   35.960   0.6138 -1.040000 1.228000 
1 1 1   20   16   11 o   13.980   1.4720 3.124000 2.943000 
1 1 1   20   16   12 o   11.210   1.7910 -1.410000 3.582000 
1 1 1   20   16   13 o   21.670   0.9306 0.7445000E-01 1.861000 
1 1 1   20   16   14 o   26.840   0.7844 0.4834000 1.569000 
1 1 1   20   16   15 o   10.200   1.8340 4.848000 3.669000 
1 1 1   20   16   16 f   10.420   2.0640 0.3510000 4.127000 
1 1 1   20   16   17 o   12.360   1.8860 -1.415000 3.772000 
1 1 1   20   16   18 o   18.710   1.2820 6.752000 2.563000 
1 1 1   20   16   19 f   8.8710   2.0740 4.070000 4.148000 
1 1 1   20   16   20 o   9.0960   2.1830 0.1615000 4.367000 
1 1 1   20   16   21 o   7.0220   2.0480 0.4912000 4.096000 
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1 1 1   20   16   23 o   12.890   1.7230 10.91000 3.447000 
1 1 1   20   16   24 o   8.1300   1.9950 -3.246000 3.990000 
1 1 1   20   16   25 o   11.300   1.9530 2.864000 3.905000 
1 1 1   20   16   26 o   10.400   2.0060 -0.4197000 4.012000 
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1 1 1   20   17    1 o   19.070   1.0500 2.285000 2.100000 
1 1 1   20   17    2 o   11.050   1.8200 0.1584000 3.640000 
1 1 1   20   17    3 o   6.5560   1.8190 3.132000 3.639000 
1 1 1   20   17    4 o   24.040   0.8436 1.481000 1.687000 
1 1 1   20   17    5 o   15.030   1.3690 2.853000 2.738000 
1 1 1   20   17    6 o   25.310   0.8344 -1.849000 1.669000 
1 1 1   20   17    7 o   22.980   0.8974 1.752000 1.795000 
1 1 1   20   17    8 o   25.010   0.8516 2.087000 1.703000 
1 1 1   20   17    9 o   41.690   0.6054 -1.501000 1.211000 
1 1 1   20   17   10 o   42.260   0.6046 0.5839000 1.209000 
1 1 1   20   17   11 o   29.590   0.7473 -1.125000 1.495000 
1 1 1   20   17   12 o   11.940   1.7440 -6.601000 3.488000 
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1 1 1   20   17   14 o   10.600   1.9850 0.7138000 3.970000 
1 1 1   20   17   15 o   19.610   1.1490 -4.470000 2.297000 
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1 1 1   20   17   19 o   9.8630   2.1500 2.576000 4.299000 
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1 1 1   20   17   21 o   8.9090   2.0040 -4.192000 4.008000 
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1 1 1   20   18    2 o   10.910   1.9340 -1.548000 3.868000 
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1 1 1   20   18    4 o   29.510   0.7707 1.264000 1.541000 
1 1 1   20   18    5 o   12.930   1.6950 1.522000 3.389000 
1 1 1   20   18    6 o   19.470   1.1250 -1.235000 2.250000 
1 1 1   20   18    7 o   30.020   0.7839 -0.3797000 1.568000 
1 1 1   20   18    8 o   47.160   0.6089 2.081000 1.218000 
1 1 1   20   18    9 o   31.120   0.7676 2.735000 1.535000 
1 1 1   20   18   10 o   19.910   1.1580 3.582000 2.316000 
1 1 1   20   18   11 o   14.560   1.6640 6.530000 3.327000 
1 1 1   20   18   12 o   20.250   1.1400 -4.148000 2.281000 
1 1 1   20   18   13 o   27.090   0.8763 -0.6902000 1.753000 
1 1 1   20   18   14 o   23.310   0.9836 -1.578000 1.967000 
1 1 1   20   18   15 o   21.830   1.0560 -0.4182000 2.112000 
1 1 1   20   18   16 o   9.3230   1.9870 4.909000 3.974000 
1 1 1   20   18   17 o   12.720   1.7960 -5.798000 3.592000 
1 1 1   20   18   18 o   7.3690   2.0580 -1.479000 4.116000 
1 1 1   20   18   19 o   15.050   1.7000 -4.926000 3.400000 
1 1 1   20   18   20 o   7.4310   2.0230 -2.581000 4.046000 
1 1 1   20   18   21 f   8.6960   2.1000 -2.134000 4.200000 
1 1 1   20   18   22 o   7.0550   2.0990 1.166000 4.199000 
1 1 1   20   18   23 o   7.0840   2.0030 -1.295000 4.005000 
1 1 1   20   18   24 o   7.4780   1.9590 -3.342000 3.917000 
1 1 1   20   19    0 o   8.5840   2.9810 -0.000000 0.000000 
1 1 1   20   19    1 o   9.2160   1.9670 -5.001000 3.934000 
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1 1 1   20   19    3 o   11.110   2.0090 2.317000 4.019000 
1 1 1   20   19    4 o   15.540   1.4990 -0.7534000 2.998000 
1 1 1   20   19    5 o   20.250   1.1690 -2.433000 2.338000 
1 1 1   20   19    6 f   9.5890   2.0250 4.617000 4.050000 
1 1 1   20   19    7 o   23.810   1.0240 -2.930000 2.049000 
1 1 1   20   19    8 o   21.650   1.1100 1.154000 2.221000 
1 1 1   20   19    9 f   7.2430   2.0700 0.9265000 4.139000 
1 1 1   20   19   10 o   10.400   2.1120 1.501000 4.223000 
1 1 1   20   19   11 o   9.7600   2.1430 0.4229000 4.285000 
1 1 1   20   19   12 o   19.660   1.2080 -4.191000 2.416000 
1 1 1   20   19   13 o   11.610   1.9700 3.553000 3.940000 
1 1 1   20   19   14 o   7.4670   1.8740 5.703000 3.749000 
1 1 1   20   19   15 o   5.1300   1.7100 0.9719000 3.421000 
1 1 1   20   19   16 o   7.7710   2.0300 -2.671000 4.060000 
1 1 1   20   19   17 o   8.7240   2.0520 2.619000 4.105000 
1 1 1   20   19   18 o   8.8710   2.0360 2.775000 4.071000 
1 1 1   20   19   19 o   7.1900   2.0650 -0.6711000 4.129000 
1 1 1   20   19   20 o   6.2420   1.9500 0.2584000 3.900000 
1 1 1   20   19   21 o   7.6480   2.1130 1.379000 4.226000 
1 1 1   20   19   22 o   7.6110   2.0490 2.843000 4.099000 
1 1 1   20   20    0 o   28.730   1.2710 -0.000000 0.000000 
1 1 1   20   20    1 o   16.270   1.5360 1.081000 3.071000 
1 1 1   20   20    2 o   19.760   1.2550 -0.4041000 2.511000 
1 1 1   20   20    3 o   16.020   1.6080 4.123000 3.216000 
1 1 1   20   20    4 o   18.100   1.3910 4.591000 2.782000 
1 1 1   20   20    5 o   11.630   2.0020 4.559000 4.004000 
1 1 1   20   20    6 o   13.560   1.8640 -0.7361000 3.728000 
1 1 1   20   20    7 o   21.790   1.1520 2.144000 2.305000 
1 1 1   20   20    8 o   10.980   2.1230 -0.2534000 4.246000 
1 1 1   20   20    9 o   9.3470   1.9690 6.114000 3.937000 
1 1 1   20   20   10 o   9.2840   2.1560 -2.781000 4.312000 
1 1 1   20   20   11 o   10.060   2.1550 -0.1639000 4.310000 
1 1 1   20   20   12 o   11.760   1.9760 1.971000 3.951000 
1 1 1   20   20   13 o   7.8320   2.0930 -0.1791000 4.186000 
1 1 1   20   20   14 o   5.9560   1.8650 -0.9369000 3.729000 
1 1 1   20   20   15 o   7.5060   2.0740 -0.1602000 4.149000 
1 1 1   20   20   16 o   9.2110   2.1100 0.5558000 4.221000 
1 1 1   20   20   17 o   7.7390   2.0610 0.2390000 4.123000 
1 1 1   20   20   18 o   7.7040   1.9450 4.154000 3.890000 
1 1 1   20   20   19 o   8.0000   2.0330 2.270000 4.067000 
1 1 1   20   20   20 o   7.6410   1.8960 -4.782000 3.791000 
1 1 1   20   21    0 o   10.620   3.0950 -0.000000 0.000000 
1 1 1   20   21    1 o   14.230   1.7800 -1.758000 3.561000 
1 1 1   20   21    2 o   9.9570   2.2080 2.031000 4.415000 
1 1 1   20   21    3 o   18.020   1.4090 2.908000 2.817000 
1 1 1   20   21    4 o   9.8130   2.1310 -3.792000 4.262000 
1 1 1   20   21    5 o   11.670   2.1600 2.587000 4.320000 
1 1 1   20   21    6 o   13.360   1.8990 -7.844000 3.798000 
1 1 1   20   21    7 o   8.0150   2.1500 2.237000 4.301000 
1 1 1   20   21    8 o   8.2650   2.1810 -1.135000 4.363000 
1 1 1   20   21    9 o   14.810   1.6930 3.897000 3.385000 
1 1 1   20   21   10 o   10.210   1.8590 7.754000 3.718000 
1 1 1   20   21   11 o   10.220   2.1390 1.918000 4.277000 
1 1 1   20   21   12 o   9.8990   2.1170 1.509000 4.234000 
1 1 1   20   21   13 o   7.1990   2.0330 0.9283000 4.066000 
1 1 1   20   21   14 o   7.7850   1.9860 3.912000 3.972000 
1 1 1   20   21   15 o   6.8150   1.9830 1.001000 3.966000 
1 1 1   20   21   16 o   5.7050   1.8040 -1.336000 3.607000 
1 1 1   20   21   17 o   7.4850   2.0160 0.8507000 4.032000 
1 1 1   20   21   18 o   6.9900   1.9700 -1.156000 3.939000 
1 1 1   20   22    0 o   10.090   3.1510 -0.000000 0.000000 
1 1 1   20   22    1 f   9.8120   1.8750 -7.937000 3.750000 
1 1 1   20   22    2 o   7.1660   2.0740 -2.266000 4.148000 
1 1 1   20   22    3 o   8.8230   2.1390 3.888000 4.279000 
1 1 1   20   22    4 o   10.030   2.1840 1.778000 4.367000 
1 1 1   20   22    5 o   11.590   2.0780 0.2994000 4.156000 
1 1 1   20   22    6 o   13.600   1.8430 -1.903000 3.685000 
1 1 1   20   22    7 f   13.520   1.8760 -0.2568000 3.752000 
1 1 1   20   22    8 o   5.1880   1.7280 -1.171000 3.457000 
1 1 1   20   22    9 o   7.7180   2.1140 0.1797000 4.229000 
1 1 1   20   22   10 o   12.190   1.9000 5.647000 3.801000 
1 1 1   20   22   11 o   11.410   1.9420 4.886000 3.884000 
1 1 1   20   22   12 o   7.2040   1.9400 3.894000 3.881000 
1 1 1   20   22   13 o   8.0110   1.8060 -6.003000 3.613000 
1 1 1   20   22   14 o   7.3960   1.7810 5.999000 3.561000 
1 1 1   20   22   15 o   12.040   1.8020 -4.435000 3.604000 
1 1 1   20   23    0 o   5.5830   2.6010 -0.000000 0.000000 
1 1 1   20   23    1 o   6.2920   1.9730 0.9270000 3.946000 
1 1 1   20   23    2 o   8.3690   2.1860 1.553000 4.373000 
1 1 1   20   23    3 o   7.4700   2.0760 -2.843000 4.151000 
1 1 1   20   23    4 o   10.760   2.1380 3.180000 4.277000 
1 1 1   20   23    5 o   10.600   2.1130 3.483000 4.225000 
1 1 1   20   23    6 o   7.1880   1.9890 3.807000 3.979000 
1 1 1   20   23    7 o   9.8670   2.0920 -3.601000 4.184000 
1 1 1   20   23    8 o   7.9240   2.1130 1.451000 4.226000 
1 1 1   20   23    9 o   8.2870   1.9610 -4.700000 3.922000 
1 1 1   20   23   10 o   5.1110   1.6890 0.7142000 3.379000 
1 1 1   20   23   11 o   7.4910   1.9310 3.403000 3.861000 
1 1 1   20   23   12 o   6.6360   1.9310 -0.5727000 3.862000 
1 1 1   20   24    0 o   6.4190   2.8060 -0.000000 0.000000 
1 1 1   20   24    1 o   6.1770   1.9000 -2.399000 3.799000 
1 1 1   20   24    2 o   7.0410   2.0560 0.8876000 4.112000 
1 1 1   20   24    3 o   10.780   2.1100 -0.4030000 4.221000 
1 1 1   20   24    4 o   9.1570   2.1590 -1.378000 4.317000 
1 1 1   20   24    5 o   7.5670   1.9390 -4.745000 3.878000 
1 1 1   20   24    6 o   8.8320   2.0820 2.581000 4.165000 
1 1 1   20   24    7 o   5.7730   1.8390 0.7909000 3.677000 
1 1 1   21    0    1 o   30.840   0.3881 -0.000000 0.000000 
1 1 1   21    0    2 o   69.340   0.7330 -0.000000 0.000000 
1 1 1   21    0    3 o   76.030   0.8007 -0.000000 0.000000 
1 1 1   21    0    4 o   10.600   0.6445 -0.000000 0.000000 
1 1 1   21    0    5 o   42.770   0.5489 -0.000000 0.000000 
1 1 1   21    0    6 o   12.230   0.5531 -0.000000 0.000000 
1 1 1   21    0    7 o   41.670   0.5373 -0.000000 0.000000 
1 1 1   21    0    8 o   94.690   1.1450 -0.000000 0.000000 
1 1 1   21    0    9 o   7.4430   0.8795 -0.000000 0.000000 
1 1 1   21    0   10 o  134.200   1.9840 -0.000000 0.000000 
1 1 1   21    0   11 o   11.100   0.7833 -0.000000 0.000000 
1 1 1   21    0   12 o   23.960   0.5349 -0.000000 0.000000 
1 1 1   21    0   13 o   93.560   1.3930 -0.000000 0.000000 
1 1 1   21    0   14 o   52.030   0.8052 -0.000000 0.000000 
1 1 1   21    0   15 o   15.200   0.6072 -0.000000 0.000000 
1 1 1   21    0   16 o   8.0890   1.0390 -0.000000 0.000000 
1 1 1   21    0   17 o   12.970   0.6565 -0.000000 0.000000 
1 1 1   21    0   18 o   63.920   1.3920 -0.000000 0.000000 
1 1 1   21    0   19 o   45.050   1.0890 -0.000000 0.000000 
1 1 1   21    0   20 o   39.660   1.0870 -0.000000 0.000000 
1 1 1   21    0   21 o   19.520   1.3870 -0.000000 0.000000 
1 1 1   21    0   22 o   24.200   1.2640 -0.000000 0.000000 
1 1 1   21    0   23 o   7.5120   2.8420 -0.000000 0.000000 
1 1 1   21    0   24 o   12.050   2.6830 -0.000000 0.000000 
1 1 1   21    0   25 o   27.030   1.3940 -0.000000 0.000000 
1 1 1   21    0   26 o   24.050   1.5860 -0.000000 0.000000 
1 1 1   21    0   27 f   35.130   1.3730 -0.000000 0.000000 
1 1 1   21    0   28 o   25.620   1.7080 -0.000000 0.000000 
1 1 1   21    0   29 o   8.7190   3.3520 -0.000000 0.000000 
1 1 1   21    0   30 o   26.030   1.7850 -0.000000 0.000000 
1 1 1   21    0   31 o   23.020   1.9720 -0.000000 0.000000 
1 1 1   21    0   32 o   10.300   3.5040 -0.000000 0.000000 
1 1 1   21    0   33 o   26.410   1.8360 -0.000000 0.000000 
1 1 1   21    0   34 o   15.020   2.8580 -0.000000 0.000000 
1 1 1   21    0   35 o   11.090   3.4910 -0.000000 0.000000 
1 1 1   21    1    0 o   74.890   1.1160 -0.000000 0.000000 
1 1 1   21    1    1 o  123.100   1.2860 -5.487000 2.571000 
1 1 1   21    1    2 o   68.470   0.7253 -3.576000 1.451000 
1 1 1   21    1    3 o   32.340   0.4050 11.51000 0.8099000 
1 1 1   21    1    4 o  175.400   1.8280 -2.262000 3.655000 
1 1 1   21    1    5 o  114.800   1.1990 1.337000 2.398000 
1 1 1   21    1    6 o   23.280   0.3741 1.723000 0.7482000 
1 1 1   21    1    7 o   96.310   1.0090 -1.216000 2.018000 
1 1 1   21    1    8 o   74.600   0.7872 1.452000 1.574000 
1 1 1   21    1    9 o   50.240   0.7773      ?      ? 
1 1 1   21    1   10 o   64.740   0.6900 0.3329000 1.380000 
1 1 1   21    1   11 o   92.200   0.8790 5.236000 1.758000 
1 1 1   21    1   12 o   63.610   0.6205 -1.031000 1.241000 
1 1 1   21    1   13 f   14.500   0.4135 -3.808000 0.8269000 
1 1 1   21    1   14 f   58.530   0.5747 1.650000 1.149000 
1 1 1   21    1   15 o   31.580   0.4551      ?      ? 
1 1 1   21    1   16 o   14.710   0.4839 -0.6845000 0.9678000 
1 1 1   21    1   17 o   44.100   0.5582 -2.855000 1.116000 
1 1 1   21    1   18 o   44.280   0.5075 -3.687000 1.015000 
1 1 1   21    1   19 o   36.340   0.4562 -1.590000 0.9124000 
1 1 1   21    1   20 o   51.080   0.5791 1.068000 1.158000 
1 1 1   21    1   21 f   38.710   0.6420 1.766000 1.284000 
1 1 1   21    1   22 o   14.120   1.5240 -7.482000 3.049000 
1 1 1   21    1   23 o   44.750   0.8251 -1.330000 1.650000 
1 1 1   21    1   24 o   8.2950   1.8990 4.710000 3.798000 
1 1 1   21    1   25 o   21.340   1.2080 3.451000 2.416000 
1 1 1   21    1   26 f   46.020   0.8983 -0.7701000E-01 1.797000 
1 1 1   21    1   27 o   34.670   0.9796 0.7200000 1.959000 
1 1 1   21    1   28 o   43.480   0.9488 -0.2869000 1.898000 
1 1 1   21    1   29 o   21.260   1.4660 -0.8209000 2.931000 
1 1 1   21    1   30 o   8.4010   2.3350 -2.833000 4.671000 
1 1 1   21    1   31 o   6.9990   2.2090 -0.3967000 4.418000 
1 1 1   21    1   32 o   12.910   2.4060 -2.596000 4.813000 
1 1 1   21    1   33 o   20.090   1.6740 -2.450000 3.349000 
1 1 1   21    1   34 f   9.7470   2.4020 -2.003000 4.803000 
1 1 1   21    1   35 o   9.7830   2.2610 -5.837000 4.521000 
1 1 1   21    2    0 o   33.340   0.5771 -0.000000 0.000000 
1 1 1   21    2    1 o  124.600   1.3010 1.205000 2.602000 
1 1 1   21    2    2 o   83.280   0.8764 -4.881000 1.753000 
1 1 1   21    2    3 o   35.830   0.4335 -8.375000 0.8670000 
1 1 1   21    2    4 o  190.800   1.9870 3.770000 3.975000 
1 1 1   21    2    5 o   55.400   0.5969 -1.907000 1.194000 
1 1 1   21    2    6 o   87.760   0.9222 6.482000 1.844000 
1 1 1   21    2    7 o  137.200   1.4310 -0.6026000 2.863000 
1 1 1   21    2    8 o   43.570   0.4914 -0.7933000 0.9829000 
1 1 1   21    2    9 o   10.440   0.9595      ?      ? 
1 1 1   21    2   10 f   51.980   0.5694 3.632000 1.139000 
1 1 1   21    2   11 o   60.540   0.6509 3.687000 1.302000 
1 1 1   21    2   12 o   27.960   0.4132 -10.26000 0.8264000 
1 1 1   21    2   13 o   22.200   0.4219 0.5955000 0.8439000 
1 1 1   21    2   14 o   20.220   0.4409 0.6862000E-01 0.8817000 
1 1 1   21    2   15 o   9.3900   0.7700 -1.222000 1.540000 
1 1 1   21    2   16 o   23.340   0.3950 -0.7905000 0.7900000 
1 1 1   21    2   17 o   33.140   0.3987 1.480000 0.7974000 
1 1 1   21    2   18 o   25.960   0.4606      ?      ? 
1 1 1   21    2   19 o   19.220   0.4762 5.451000 0.9523000 
1 1 1   21    2   20 o   36.950   0.6823      ?      ? 
1 1 1   21    2   21 o   69.910   0.7563 -0.3638000 1.513000 
1 1 1   21    2   22 o   9.7630   1.4090      ?      ? 
1 1 1   21    2   23 o   35.470   0.6954      ?      ? 
1 1 1   21    2   24 o   38.930   0.7089      ?      ? 
1 1 1   21    2   25 o   53.310   0.8741      ?      ? 
1 1 1   21    2   26 o   31.660   0.7675 -1.191000 1.535000 
1 1 1   21    2   27 o   10.590   1.5870 7.358000 3.174000 
1 1 1   21    2   28 o   34.430   0.8116 1.658000 1.623000 
1 1 1   21    2   29 o   22.060   1.9550      ?      ? 
1 1 1   21    2   30 o   9.6430   1.8440 -2.769000 3.688000 
1 1 1   21    2   31 o   18.720   1.8790 6.634000 3.757000 
1 1 1   21    2   32 o   13.820   2.2130 8.182000 4.426000 
1 1 1   21    2   33 o   14.870   2.1840 -1.295000 4.369000 
1 1 1   21    2   34 f   8.1100   2.3640 0.4016000 4.728000 
1 1 1   21    2   35 o   7.3020   2.1290 4.024000 4.258000 
1 1 1   21    3    0 o   61.670   0.9346 -0.000000 0.000000 
1 1 1   21    3    1 o  114.000   1.1930 5.590000 2.387000 
1 1 1   21    3    2 o  110.300   1.1540 -0.7549000 2.308000 
1 1 1   21    3    3 o  166.400   1.7360 -7.946000 3.472000 
1 1 1   21    3    4 o   4.5850   1.1220 -2.410000 2.244000 
1 1 1   21    3    5 o  106.600   1.1170 3.792000 2.233000 
1 1 1   21    3    6 o   53.440   0.5841 3.117000 1.168000 
1 1 1   21    3    7 f  111.800   1.1700 0.1965000 2.340000 
1 1 1   21    3    8 o   36.940   0.4561 -7.603000 0.9121000 
1 1 1   21    3    9 o   70.410   0.7491 0.2532000 1.498000 
1 1 1   21    3   10 o  129.400   1.3530 -3.999000 2.705000 
1 1 1   21    3   11 o   19.250   0.6725      ?      ? 
1 1 1   21    3   12 o   17.500   0.4675 -2.290000 0.9349000 
1 1 1   21    3   13 o   50.430   0.5143 0.4418000 1.029000 
1 1 1   21    3   14 o   82.750   0.7996 0.7728000E-01 1.599000 
1 1 1   21    3   15 o   36.060   0.4244 -2.750000 0.8489000 
1 1 1   21    3   16 o   50.670   0.5224 -2.253000 1.045000 
1 1 1   21    3   17 o   6.5870   1.1720 -3.744000 2.343000 
1 1 1   21    3   18 o   9.0900   1.0780 3.384000 2.155000 
1 1 1   21    3   19 o   17.450   0.5772 0.2877000E-01 1.154000 
1 1 1   21    3   20 o   23.560   0.4767 2.586000 0.9535000 
1 1 1   21    3   21 o   13.630   0.7227 -1.537000 1.445000 
1 1 1   21    3   22 o   17.120   0.6098 0.2885000 1.220000 
1 1 1   21    3   23 o   33.120   0.4640 3.153000 0.9280000 
1 1 1   21    3   24 o   22.240   0.8552 1.310000 1.710000 
1 1 1   21    3   25 o   54.950   0.8145 1.313000 1.629000 
1 1 1   21    3   26 o   6.1320   1.8190 -0.5978000 3.639000 
1 1 1   21    3   27 o   31.480   0.8449 1.315000 1.690000 
1 1 1   21    3   28 o   34.980   0.8369      ?      ? 
1 1 1   21    3   29 o   28.280   0.8941      ?      ? 
1 1 1   21    3   30 o   29.100   0.8693      ?      ? 
1 1 1   21    3   31 o   21.440   1.0370      ?      ? 
1 1 1   21    3   32 o   19.750   1.1010      ?      ? 
1 1 1   21    3   33 o   19.880   1.2940 2.403000 2.589000 
1 1 1   21    3   34 o   8.1890   2.0680 -2.335000 4.137000 
1 1 1   21    3   35 o   9.6420   1.8270 -0.7918000 3.653000 
1 1 1   21    4    0 o  185.800   2.7380 -0.000000 0.000000 
1 1 1   21    4    1 o  201.100   2.0960 5.426000 4.192000 
1 1 1   21    4    2 o   7.3190   1.0730 -5.917000 2.147000 
1 1 1   21    4    3 o  133.700   1.3970 -0.8615000 2.794000 
1 1 1   21    4    4 o   58.890   0.6419 -7.309000 1.284000 
1 1 1   21    4    5 o  113.100   1.1850 -6.011000 2.370000 
1 1 1   21    4    6 o   35.280   0.4580 -5.632000 0.9160000 
1 1 1   21    4    7 o   22.100   0.4781 3.283000 0.9562000 
1 1 1   21    4    8 o  107.100   1.1230 0.7872000E-01 2.246000 
1 1 1   21    4    9 o   38.600   0.4826 1.365000 0.9652000 
1 1 1   21    4   10 o   48.570   0.5009 1.564000 1.002000 
1 1 1   21    4   11 o   77.250   0.7537 -4.278000 1.507000 
1 1 1   21    4   12 o   42.530   0.4688 -4.355000 0.9375000 
1 1 1   21    4   13 o   24.510   0.4841 -1.949000 0.9683000 
1 1 1   21    4   14 o   31.880   0.4234 0.4513000 0.8467000 
1 1 1   21    4   15 o   27.540   0.4363 -0.9809000 0.8726000 
1 1 1   21    4   16 o   21.240   0.5071 3.035000 1.014000 
1 1 1   21    4   17 f   46.750   0.5022 0.3486000 1.004000 
1 1 1   21    4   18 f   27.630   0.4827 -3.400000 0.9655000 
1 1 1   21    4   19 o   49.460   0.5276 0.6066000E-01 1.055000 
1 1 1   21    4   20 o   59.070   0.6017 0.4410000 1.203000 
1 1 1   21    4   21 o   18.010   0.6142 -2.551000 1.228000 
1 1 1   21    4   22 o   29.250   0.4903 0.9025000 0.9807000 
1 1 1   21    4   23 o   57.650   0.6035 -3.909000 1.207000 
1 1 1   21    4   24 f   14.050   0.8924 1.685000 1.785000 
1 1 1   21    4   25 o   15.750   0.8319 1.484000 1.664000 
1 1 1   21    4   26 o   24.110   0.9542 3.609000 1.908000 
1 1 1   21    4   27 o   5.6180   1.7680 -2.825000 3.536000 
1 1 1   21    4   28 o   20.550   1.2080 0.5019000 2.417000 
1 1 1   21    4   29 f   39.210   0.7974 0.9558000 1.595000 
1 1 1   21    4   30 o   19.320   1.4110 1.013000 2.822000 
1 1 1   21    4   31 o   5.6550   1.8550 -1.325000 3.710000 
1 1 1   21    4   32 o   14.220   1.9360 6.453000 3.872000 
1 1 1   21    4   33 o   14.480   1.6030      ?      ? 
1 1 1   21    4   34 o   13.140   1.7650      ?      ? 
1 1 1   21    5    0 f   68.320   1.0410 -0.000000 0.000000 
1 1 1   21    5    1 o  123.700   1.2950 0.3300000 2.591000 
1 1 1   21    5    2 o   48.070   0.5572 -6.823000 1.114000 
1 1 1   21    5    3 o   76.440   0.8156 -5.500000 1.631000 
1 1 1   21    5    4 o   46.900   0.5467 -2.400000 1.093000 
1 1 1   21    5    5 o   43.850   0.5261 -7.013000 1.052000 
1 1 1   21    5    6 o  108.900   1.0430 0.4983000 2.087000 
1 1 1   21    5    7 o   72.250   0.7037 3.502000 1.407000 
1 1 1   21    5    8 o   75.980   0.7388 3.764000 1.478000 
1 1 1   21    5    9 o   47.690   0.5064 -1.971000 1.013000 
1 1 1   21    5   10 o   71.390   0.7016 -2.117000 1.403000 
1 1 1   21    5   11 o   51.530   0.5327 -0.1681000 1.065000 
1 1 1   21    5   12 o   18.840   0.5336 -0.3658000 1.067000 
1 1 1   21    5   13 o   50.460   0.5259 1.583000 1.052000 
1 1 1   21    5   14 o   32.840   0.4952 -0.9703000 0.9905000 
1 1 1   21    5   15 o   35.850   0.4617 -3.875000 0.9234000 
1 1 1   21    5   16 o   10.140   1.0550 0.4987000 2.110000 
1 1 1   21    5   17 o   31.660   0.5108 1.200000 1.022000 
1 1 1   21    5   18 o   50.920   0.4821 2.270000 0.9642000 
1 1 1   21    5   19 o   54.660   0.5726 3.124000 1.145000 
1 1 1   21    5   20 o   25.820   0.4441 0.2712000 0.8881000 
1 1 1   21    5   21 o   14.500   0.8462 -5.400000 1.692000 
1 1 1   21    5   22 o   45.420   0.4654 1.493000 0.9308000 
1 1 1   21    5   23 o   27.530   0.5453 1.006000 1.091000 
1 1 1   21    5   24 o   31.680   0.4494 -1.326000 0.8988000 
1 1 1   21    5   25 o   30.000   0.4579 0.8422000 0.9157000 
1 1 1   21    5   26 o   27.120   0.5576 -3.366000 1.115000 
1 1 1   21    5   27 o   18.080   0.7262 2.360000 1.452000 
1 1 1   21    5   28 f   35.660   0.5263 0.7190000 1.053000 
1 1 1   21    5   29 o   14.840   0.8458 -0.1144000 1.692000 
1 1 1   21    5   30 o   27.960   0.6160 0.6554000 1.232000 
1 1 1   21    5   31 f   13.020   1.0670 5.555000 2.134000 
1 1 1   21    5   32 o   12.710   1.8920 3.989000 3.784000 
1 1 1   21    5   33 o   13.710   1.8690 1.844000 3.737000 
1 1 1   21    5   34 f   7.8430   1.9950 -1.978000 3.990000 
1 1 1   21    6    0 o   20.750   0.8160 -0.000000 0.000000 
1 1 1   21    6    1 o   38.170   0.5034 0.2296000 1.007000 
1 1 1   21    6    2 o   84.470   0.8983 -1.888000 1.797000 
1 1 1   21    6    3 o   32.300   0.4478 3.558000 0.8957000 
1 1 1   21    6    4 o   81.720   0.8011 -6.238000 1.602000 
1 1 1   21    6    5 o   34.600   0.4519 1.048000 0.9038000 
1 1 1   21    6    6 f   40.430   0.4740 -3.188000 0.9480000 
1 1 1   21    6    7 o   7.6220   1.3710 2.232000 2.741000 
1 1 1   21    6    8 o   83.300   0.8107 -1.501000 1.621000 
1 1 1   21    6    9 o   60.620   0.6089 3.013000 1.218000 
1 1 1   21    6   10 o   50.630   0.4747 2.346000 0.9495000 
1 1 1   21    6   11 f   20.860   0.4740 0.1959000 0.9481000 
1 1 1   21    6   12 o   30.860   0.4046 -1.120000 0.8092000 
1 1 1   21    6   13 o   24.190   0.5016 2.083000 1.003000 
1 1 1   21    6   14 o   40.440   0.4263 0.5114000 0.8526000 
1 1 1   21    6   15 o   45.250   0.4555 3.729000 0.9109000 
1 1 1   21    6   16 o   31.030   0.4230 3.076000 0.8459000 
1 1 1   21    6   17 o   26.880   0.4456 1.794000 0.8911000 
1 1 1   21    6   18 o   59.240   0.5440 4.873000 1.088000 
1 1 1   21    6   19 o   68.090   0.6107 -0.2142000 1.221000 
1 1 1   21    6   20 f   16.480   0.7308 -0.3211000 1.462000 
1 1 1   21    6   21 o   10.710   1.0500 1.431000 2.101000 
1 1 1   21    6   22 o   32.930   0.4637 2.610000 0.9274000 
1 1 1   21    6   23 o   13.910   0.8519 0.2406000 1.704000 
1 1 1   21    6   24 o   15.790   0.8838 0.6424000 1.768000 
1 1 1   21    6   25 o   30.360   0.5003 -1.533000 1.001000 
1 1 1   21    6   26 o   23.700   0.7188 -3.183000 1.438000 
1 1 1   21    6   27 o   27.200   0.5514 0.1388000 1.103000 
1 1 1   21    6   28 o   36.420   0.5105 1.577000 1.021000 
1 1 1   21    6   29 f   12.460   1.1840 -1.683000 2.368000 
1 1 1   21    6   30 o   14.170   1.0800 4.191000 2.160000 
1 1 1   21    6   31 o   21.710   0.7005 0.3513000 1.401000 
1 1 1   21    6   32 o   11.230   1.3270 6.205000 2.655000 
1 1 1   21    6   33 o   11.880   1.1860 -1.645000 2.371000 
1 1 1   21    6   34 o   5.1840   1.5090 -1.946000 3.017000 
1 1 1   21    7    0 o   22.240   0.6684 -0.000000 0.000000 
1 1 1   21    7    1 o   49.880   0.4829 10.70000 0.9658000 
1 1 1   21    7    2 o   19.910   0.5702 -0.8782000 1.140000 
1 1 1   21    7    3 o   46.700   0.5200 -4.132000 1.040000 
1 1 1   21    7    4 o   37.710   0.4750 -1.492000 0.9500000 
1 1 1   21    7    5 o   50.410   0.5434 -1.218000 1.087000 
1 1 1   21    7    6 o   23.590   0.4913 -8.058000 0.9827000 
1 1 1   21    7    7 o   53.650   0.5047 0.7499000 1.009000 
1 1 1   21    7    8 o   60.610   0.5521 -1.757000 1.104000 
1 1 1   21    7    9 o   46.040   0.4616 4.618000 0.9231000 
1 1 1   21    7   10 o   54.430   0.5115 1.162000 1.023000 
1 1 1   21    7   11 o   39.710   0.4394 3.915000 0.8788000 
1 1 1   21    7   12 o   22.320   0.5044 5.018000 1.009000 
1 1 1   21    7   13 o   7.0730   1.3070 4.308000 2.614000 
1 1 1   21    7   14 o   16.120   0.7579 -1.815000 1.516000 
1 1 1   21    7   15 o   23.810   0.5014 -0.8995000 1.003000 
1 1 1   21    7   16 o   26.250   0.5478 -0.3399000 1.096000 
1 1 1   21    7   17 o   35.430   0.4496 -1.015000 0.8993000 
1 1 1   21    7   18 o   61.600   0.5703 0.1730000 1.141000 
1 1 1   21    7   19 o   48.280   0.4923 0.4783000 0.9847000 
1 1 1   21    7   20 o   32.960   0.4802 1.749000 0.9603000 
1 1 1   21    7   21 o   23.520   0.6414 -0.8328000 1.283000 
1 1 1   21    7   22 o   45.150   0.4956 1.277000 0.9912000 
1 1 1   21    7   23 o   13.590   1.1580 -3.828000 2.315000 
1 1 1   21    7   24 o   25.000   0.5896 0.3152000 1.179000 
1 1 1   21    7   25 o   20.230   0.8156 -1.887000 1.631000 
1 1 1   21    7   26 o   29.750   0.6151 1.363000 1.230000 
1 1 1   21    7   27 o   9.2640   1.3730 7.912000 2.746000 
1 1 1   21    7   28 f   11.940   1.2790 -2.327000 2.558000 
1 1 1   21    7   29 o   17.920   0.8438 -1.356000 1.688000 
1 1 1   21    7   30 o   17.380   0.9450 -0.3405000 1.890000 
1 1 1   21    7   31 o   19.630   0.8454 0.2739000 1.691000 
1 1 1   21    7   32 o   11.450   1.4070 -4.809000 2.813000 
1 1 1   21    7   33 o   5.6610   1.6230 -2.333000 3.246000 
1 1 1   21    8    0 o   85.040   1.0530 -0.000000 0.000000 
1 1 1   21    8    1 o   61.060   0.5629 1.364000 1.126000 
1 1 1   21    8    2 o   15.140   0.6659 0.4318000E-02 1.332000 
1 1 1   21    8    3 o   69.940   0.5833 -5.743000 1.167000 
1 1 1   21    8    4 o   14.400   0.7408 -2.952000 1.482000 
1 1 1   21    8    5 o   70.120   0.5855 -4.762000 1.171000 
1 1 1   21    8    6 o   26.070   0.4491 -0.1177000 0.8982000 
1 1 1   21    8    7 o   50.100   0.4649 -2.255000 0.9299000 
1 1 1   21    8    8 o   32.910   0.4457 2.613000 0.8914000 
1 1 1   21    8    9 o   43.970   0.4662 2.990000 0.9324000 
1 1 1   21    8   10 o   52.520   0.5073 0.4449000 1.015000 
1 1 1   21    8   11 o   23.720   0.5243 -0.3199000 1.049000 
1 1 1   21    8   12 o   27.950   0.4892 -0.4197000 0.9784000 
1 1 1   21    8   13 o   16.690   0.7027 0.2280000 1.405000 
1 1 1   21    8   14 o   30.470   0.4714 2.866000 0.9428000 
1 1 1   21    8   15 o   19.030   0.7472 1.822000 1.494000 
1 1 1   21    8   16 o   66.030   0.6026 -0.2534000E-01 1.205000 
1 1 1   21    8   17 o   50.090   0.5099 -3.501000 1.020000 
1 1 1   21    8   18 o   79.240   0.7925 4.293000 1.585000 
1 1 1   21    8   19 o   13.550   1.0350 5.308000 2.069000 
1 1 1   21    8   20 o   27.130   0.5617 -3.344000 1.123000 
1 1 1   21    8   21 o   8.4770   1.7230 0.1106000 3.447000 
1 1 1   21    8   22 o   33.860   0.5312 3.929000 1.062000 
1 1 1   21    8   23 o   45.380   0.5243 -0.6668000 1.049000 
1 1 1   21    8   24 o   15.440   1.1140 0.2926000 2.228000 
1 1 1   21    8   25 o   12.630   1.4210 7.564000 2.843000 
1 1 1   21    8   26 o   28.170   0.6250 -0.1966000 1.250000 
1 1 1   21    8   27 o   21.170   0.8215 4.219000 1.643000 
1 1 1   21    8   28 o   19.750   0.8405 0.5616000 1.681000 
1 1 1   21    8   29 o   17.130   0.9513 -3.825000 1.903000 
1 1 1   21    8   30 o   23.810   0.7103 -0.5779000 1.421000 
1 1 1   21    8   31 o   17.550   0.9038 3.223000 1.808000 
1 1 1   21    8   32 o   10.920   1.5220 1.656000 3.045000 
1 1 1   21    8   33 o   7.7150   1.7420 -1.825000 3.483000 
1 1 1   21    9    0 o   23.810   0.6543 -0.000000 0.000000 
1 1 1   21    9    1 o   31.640   0.4098 -3.171000 0.8195000 
1 1 1   21    9    2 o   28.250   0.4701 2.659000 0.9402000 
1 1 1   21    9    3 o   36.270   0.4410 -3.502000 0.8820000 
1 1 1   21    9    4 o   18.510   0.6242 3.167000 1.248000 
1 1 1   21    9    5 o   20.260   0.6006 -1.287000 1.201000 
1 1 1   21    9    6 f   35.640   0.4407 -0.4869000 0.8813000 
1 1 1   21    9    7 o   37.430   0.4379 2.221000 0.8757000 
1 1 1   21    9    8 o   53.130   0.4878 -0.6203000E-01 0.9757000 
1 1 1   21    9    9 o   38.870   0.4475 -4.345000 0.8949000 
1 1 1   21    9   10 f   14.310   0.8507 5.432000 1.701000 
1 1 1   21    9   11 o   28.070   0.4931 0.5171000 0.9862000 
1 1 1   21    9   12 o   13.140   0.9249 1.634000 1.850000 
1 1 1   21    9   13 o   45.390   0.4668 -0.7722000E-01 0.9337000 
1 1 1   21    9   14 o   38.100   0.4582 1.872000 0.9165000 
1 1 1   21    9   15 o   31.900   0.5848 -3.266000 1.170000 
1 1 1   21    9   16 f   56.690   0.5512 -4.329000 1.102000 
1 1 1   21    9   17 o   31.890   0.5179 -0.4124000 1.036000 
1 1 1   21    9   18 o   15.830   0.9912 4.878000 1.982000 
1 1 1   21    9   19 o   18.590   0.9905 -5.649000 1.981000 
1 1 1   21    9   20 o   8.3570   1.8100 1.216000 3.620000 
1 1 1   21    9   21 o   50.460   0.5459 0.3680000 1.092000 
1 1 1   21    9   22 o   36.600   0.5441 -0.2677000 1.088000 
1 1 1   21    9   23 o   21.830   0.7847 1.472000 1.569000 
1 1 1   21    9   24 o   42.210   0.5621 2.027000 1.124000 
1 1 1   21    9   25 o   27.690   0.6915 0.8706000E-01 1.383000 
1 1 1   21    9   26 o   20.670   0.8734 1.324000 1.747000 
1 1 1   21    9   27 o   11.360   1.5810 -3.505000 3.163000 
1 1 1   21    9   28 o   20.480   0.8805 -3.427000 1.761000 
1 1 1   21    9   29 o   12.650   1.4320 -2.250000 2.863000 
1 1 1   21    9   30 f   13.940   1.2870 4.331000 2.573000 
1 1 1   21    9   31 f   25.760   0.6765 4.054000 1.353000 
1 1 1   21    9   32 o   5.6440   1.6410 -0.8971000 3.281000 
1 1 1   21   10    0 o   22.420   0.7624 -0.000000 0.000000 
1 1 1   21   10    1 o   42.340   0.4261 -3.217000 0.8522000 
1 1 1   21   10    2 o   18.160   0.6296 1.514000 1.259000 
1 1 1   21   10    3 o   17.480   0.6609 0.9942000 1.322000 
1 1 1   21   10    4 o   61.830   0.5501 4.132000 1.100000 
1 1 1   21   10    5 o   47.810   0.4753 -1.839000 0.9505000 
1 1 1   21   10    6 o   29.630   0.4936 5.028000 0.9872000 
1 1 1   21   10    7 o   22.130   0.6009 6.096000 1.202000 
1 1 1   21   10    8 o   25.780   0.6301 -4.790000 1.260000 
1 1 1   21   10    9 o   20.300   0.6426 1.043000 1.285000 
1 1 1   21   10   10 o   22.120   0.6068 -1.071000 1.214000 
1 1 1   21   10   11 f   33.490   0.4790 -1.330000 0.9581000 
1 1 1   21   10   12 o   35.150   0.4760 -1.970000 0.9519000 
1 1 1   21   10   13 o   51.500   0.5000 4.397000 1.000000 
1 1 1   21   10   14 o   18.960   0.8699 -0.1976000 1.740000 
1 1 1   21   10   15 o   38.590   0.4821 -0.6580000 0.9643000 
1 1 1   21   10   16 o   15.000   0.9906 -2.921000 1.981000 
1 1 1   21   10   17 o   20.550   0.8464 -2.351000 1.693000 
1 1 1   21   10   18 o   12.890   1.4580 -3.283000 2.916000 
1 1 1   21   10   19 o   38.890   0.5190 -0.8705000 1.038000 
1 1 1   21   10   20 o   29.840   0.6940 -1.492000 1.388000 
1 1 1   21   10   21 o   17.590   1.0710 -1.135000 2.141000 
1 1 1   21   10   22 o   37.390   0.5510 2.400000 1.102000 
1 1 1   21   10   23 o   8.8870   1.8970 -1.632000 3.794000 
1 1 1   21   10   24 o   21.810   0.8359 -1.268000 1.672000 
1 1 1   21   10   25 o   10.910   1.6800 -0.6964000 3.360000 
1 1 1   21   10   26 o   6.9020   1.7860 3.264000 3.572000 
1 1 1   21   10   27 o   12.630   1.4920 2.814000 2.983000 
1 1 1   21   10   28 o   18.870   0.9738 -1.582000 1.948000 
1 1 1   21   10   29 o   10.910   1.6050 4.235000 3.209000 
1 1 1   21   10   30 o   17.150   0.9815 1.508000 1.963000 
1 1 1   21   10   31 o   6.0280   1.6900 -1.747000 3.380000 
1 1 1   21   10   32 o   8.7390   1.6880 -1.079000 3.376000 
1 1 1   21   11    0 f   33.400   0.6343 -0.000000 0.000000 
1 1 1   21   11    1 o   55.770   0.4799 -0.1604000 0.9598000 
1 1 1   21   11    2 o   35.510   0.4428 -1.795000 0.8857000 
1 1 1   21   11    3 o   20.170   0.6217 1.450000 1.243000 
1 1 1   21   11    4 o   14.260   0.8873 3.861000 1.775000 
1 1 1   21   11    5 o   52.590   0.4698 0.6828000E-01 0.9395000 
1 1 1   21   11    6 o   35.450   0.4945 1.517000 0.9890000 
1 1 1   21   11    7 o   27.330   0.5513 2.751000 1.103000 
1 1 1   21   11    8 o   30.630   0.5281 1.233000 1.056000 
1 1 1   21   11    9 o   30.740   0.5348 2.647000 1.070000 
1 1 1   21   11   10 o   23.040   0.6462 -0.4739000 1.292000 
1 1 1   21   11   11 o   33.140   0.5130 -0.8605000 1.026000 
1 1 1   21   11   12 o   52.420   0.5171 1.899000 1.034000 
1 1 1   21   11   13 o   26.340   0.5997 0.4106000 1.199000 
1 1 1   21   11   14 o   12.340   1.3810 6.135000 2.762000 
1 1 1   21   11   15 o   39.950   0.5068 0.6244000 1.014000 
1 1 1   21   11   16 o   8.2240   1.8090 4.627000 3.618000 
1 1 1   21   11   17 o   23.160   0.7062 0.6199000 1.412000 
1 1 1   21   11   18 o   30.720   0.6933 0.6571000 1.387000 
1 1 1   21   11   19 o   19.000   0.8938 -0.2316000 1.788000 
1 1 1   21   11   20 o   19.630   0.8783 2.395000 1.757000 
1 1 1   21   11   21 f   39.570   0.5614 -2.288000 1.123000 
1 1 1   21   11   22 o   18.450   0.9868 -0.2784000 1.974000 
1 1 1   21   11   23 o   31.160   0.6592 -2.851000 1.318000 
1 1 1   21   11   24 o   15.460   1.2540 0.9033000 2.508000 
1 1 1   21   11   25 f   7.5870   1.9020 -2.206000 3.804000 
1 1 1   21   11   26 o   21.350   0.9283 -0.8101000 1.857000 
1 1 1   21   11   27 o   12.690   1.8110 -0.5189000 3.623000 
1 1 1   21   11   28 o   7.1480   1.9100 -1.095000 3.820000 
1 1 1   21   11   29 o   10.910   1.7080 -3.668000 3.416000 
1 1 1   21   11   30 o   6.1320   1.7740 -0.7487000 3.549000 
1 1 1   21   11   31 o   5.8010   1.7160 -0.8391000 3.431000 
1 1 1   21   12    0 o   4.9260   2.0960 -0.000000 0.000000 
1 1 1   21   12    1 o   20.310   0.6797 -3.778000 1.359000 
1 1 1   21   12    2 o   23.800   0.5913 -4.376000 1.183000 
1 1 1   21   12    3 o   45.920   0.4624 1.030000 0.9249000 
1 1 1   21   12    4 o   43.730   0.4602 3.563000 0.9204000 
1 1 1   21   12    5 o   39.370   0.4692 0.8063000E-01 0.9384000 
1 1 1   21   12    6 f   36.420   0.4735 -0.5492000 0.9469000 
1 1 1   21   12    7 o   5.8590   1.5870 -0.5674000 3.174000 
1 1 1   21   12    8 o   26.940   0.5553 -1.559000 1.111000 
1 1 1   21   12    9 o   9.0530   1.7600 0.6070000 3.520000 
1 1 1   21   12   10 o   18.630   0.8312 4.187000 1.662000 
1 1 1   21   12   11 o   39.280   0.5229 -0.3368000 1.046000 
1 1 1   21   12   12 o   54.090   0.5381 -2.159000 1.076000 
1 1 1   21   12   13 o   29.720   0.5921 6.222000 1.184000 
1 1 1   21   12   14 o   7.2970   1.7610 2.121000 3.522000 
1 1 1   21   12   15 o   46.520   0.5302 0.2221000 1.060000 
1 1 1   21   12   16 o   40.660   0.5453 2.775000 1.091000 
1 1 1   21   12   17 o   14.460   1.2380 5.794000 2.476000 
1 1 1   21   12   18 o   12.680   1.4320 -0.9329000 2.863000 
1 1 1   21   12   19 o   7.7130   1.8320 -3.277000 3.664000 
1 1 1   21   12   20 o   12.810   1.5020 0.5397000 3.003000 
1 1 1   21   12   21 o   8.2950   1.8760 3.180000 3.753000 
1 1 1   21   12   22 o   15.210   1.3020 3.207000 2.605000 
1 1 1   21   12   23 o   16.370   1.2310 -0.9547000 2.462000 
1 1 1   21   12   24 o   8.4450   1.9390 -2.796000 3.878000 
1 1 1   21   12   25 o   14.160   1.4770 0.2615000 2.954000 
1 1 1   21   12   26 o   8.5760   1.8130 5.788000 3.626000 
1 1 1   21   12   27 o   18.940   1.0900 -1.390000 2.180000 
1 1 1   21   12   28 o   7.6090   1.9040 3.167000 3.808000 
1 1 1   21   12   29 o   6.5270   1.8640 0.6779000 3.728000 
1 1 1   21   12   30 o   8.0720   1.8080 -4.010000 3.617000 
1 1 1   21   13    0 o   29.910   0.7538 -0.000000 0.000000 
1 1 1   21   13    1 o   47.730   0.4837 -1.885000 0.9674000 
1 1 1   21   13    2 o   46.260   0.4833 -2.385000 0.9666000 
1 1 1   21   13    3 o   43.570   0.4865 4.892000 0.9729000 
1 1 1   21   13    4 o   43.070   0.4795 -2.182000 0.9589000 
1 1 1   21   13    5 o   34.360   0.5086 0.9301000 1.017000 
1 1 1   21   13    6 o   36.560   0.5012 1.625000 1.002000 
1 1 1   21   13    7 o   18.380   0.8289 2.572000 1.658000 
1 1 1   21   13    8 o   48.590   0.4906 0.6433000 0.9812000 
1 1 1   21   13    9 o   51.890   0.5000 3.681000 0.9999000 
1 1 1   21   13   10 o   53.650   0.5507 -0.2394000 1.101000 
1 1 1   21   13   11 o   24.650   0.7588 1.625000 1.518000 
1 1 1   21   13   12 o   7.3960   1.6620 5.441000 3.324000 
1 1 1   21   13   13 o   19.500   0.8927 1.027000 1.785000 
1 1 1   21   13   14 f   13.080   1.4540 -4.296000 2.908000 
1 1 1   21   13   15 o   53.210   0.5655 0.3622000 1.131000 
1 1 1   21   13   16 o   47.700   0.5659 0.2041000 1.132000 
1 1 1   21   13   17 o   17.090   1.3220 0.3483000 2.644000 
1 1 1   21   13   18 o   26.380   0.7776 -3.658000 1.555000 
1 1 1   21   13   19 o   16.430   1.2330 4.264000 2.466000 
1 1 1   21   13   20 o   20.730   1.0130 -2.606000 2.025000 
1 1 1   21   13   21 o   15.560   1.3610 1.284000 2.722000 
1 1 1   21   13   22 o   12.290   1.7390 4.784000 3.478000 
1 1 1   21   13   23 o   17.410   1.2360 0.4658000 2.472000 
1 1 1   21   13   24 o   13.630   1.6300 3.494000 3.259000 
1 1 1   21   13   25 f   11.210   1.8830 3.504000 3.766000 
1 1 1   21   13   26 o   11.580   1.8070 5.028000 3.614000 
1 1 1   21   13   27 o   13.290   1.6210 2.708000 3.242000 
1 1 1   21   13   28 o   6.7890   1.9090 -1.606000 3.819000 
1 1 1   21   13   29 f   11.710   1.7240 1.415000 3.447000 
1 1 1   21   13   30 o   9.2890   3.1910      ?      ? 
1 1 1   21   14    0 f   9.4400   2.3590 -0.000000 0.000000 
1 1 1   21   14    1 o   49.600   0.5066 0.7364000E-01 1.013000 
1 1 1   21   14    2 o   29.230   0.5985 -2.173000 1.197000 
1 1 1   21   14    3 o   14.660   1.0910 0.3670000 2.182000 
1 1 1   21   14    4 o   31.940   0.5714 3.659000 1.143000 
1 1 1   21   14    5 o   45.910   0.5060 -3.376000 1.012000 
1 1 1   21   14    6 o   63.670   0.5551 -1.274000 1.110000 
1 1 1   21   14    7 o   50.930   0.5178 1.163000 1.036000 
1 1 1   21   14    8 o   17.670   0.9589 -2.294000 1.918000 
1 1 1   21   14    9 o   41.450   0.5147 -1.706000 1.029000 
1 1 1   21   14   10 o   17.320   1.0080 -5.265000 2.015000 
1 1 1   21   14   11 o   38.900   0.5340 -2.708000 1.068000 
1 1 1   21   14   12 o   31.760   0.6479 -0.5401000 1.296000 
1 1 1   21   14   13 o   40.940   0.5767 1.847000 1.153000 
1 1 1   21   14   14 o   32.450   0.6575 1.883000 1.315000 
1 1 1   21   14   15 o   33.690   0.6486 0.9589000 1.297000 
1 1 1   21   14   16 o   9.8800   1.6070 9.038000 3.214000 
1 1 1   21   14   17 o   9.7960   1.9230 1.559000 3.845000 
1 1 1   21   14   18 o   19.450   1.0830 2.328000 2.165000 
1 1 1   21   14   19 o   41.500   0.6287 -0.6411000 1.257000 
1 1 1   21   14   20 o   20.490   1.0870 -1.265000 2.173000 
1 1 1   21   14   21 o   20.910   1.0980 -3.279000 2.195000 
1 1 1   21   14   22 o   9.2190   2.0330 3.781000 4.067000 
1 1 1   21   14   23 o   12.750   1.8140 1.433000 3.627000 
1 1 1   21   14   24 o   11.950   1.8930 0.8213000 3.787000 
1 1 1   21   14   25 o   7.8670   2.0020 3.140000 4.003000 
1 1 1   21   14   26 f   7.0480   1.9300 2.841000 3.860000 
1 1 1   21   14   27 o   4.7750   1.5950 1.403000 3.190000 
1 1 1   21   14   28 o   5.9250   1.7950 -1.059000 3.590000 
1 1 1   21   14   29 o   10.390   2.0540 0.9482000 4.108000 
1 1 1   21   15    0 o   10.740   2.2860 -0.000000 0.000000 
1 1 1   21   15    1 o   35.140   0.5687 0.8906000 1.137000 
1 1 1   21   15    2 o   9.2300   1.6930 5.575000 3.386000 
1 1 1   21   15    3 o   8.8260   1.9190 -0.9609000 3.839000 
1 1 1   21   15    4 o   17.100   1.0130 2.289000 2.027000 
1 1 1   21   15    5 o   22.330   0.8619 3.510000 1.724000 
1 1 1   21   15    6 o   19.430   0.8915 -0.2985000 1.783000 
1 1 1   21   15    7 o   32.990   0.6002 0.7654000 1.200000 
1 1 1   21   15    8 o   50.250   0.5293 -0.3064000 1.059000 
1 1 1   21   15    9 o   19.100   0.9388 0.9399000 1.878000 
1 1 1   21   15   10 o   26.600   0.7102 -1.139000 1.420000 
1 1 1   21   15   11 f   14.060   1.4220 -6.252000 2.845000 
1 1 1   21   15   12 o   10.790   1.6740 3.702000 3.348000 
1 1 1   21   15   13 o   13.240   1.4850 4.311000 2.971000 
1 1 1   21   15   14 o   25.480   0.8427 0.2079000 1.685000 
1 1 1   21   15   15 o   25.700   0.8479 2.544000 1.696000 
1 1 1   21   15   16 o   12.140   1.7740 2.322000 3.548000 
1 1 1   21   15   17 o   16.080   1.3640 4.019000 2.728000 
1 1 1   21   15   18 o   10.390   1.9700 -2.731000 3.940000 
1 1 1   21   15   19 o   11.220   1.7710 8.931000 3.541000 
1 1 1   21   15   20 o   17.840   1.3130 1.680000 2.626000 
1 1 1   21   15   21 o   10.420   2.0830 -0.7332000 4.167000 
1 1 1   21   15   22 o   8.4330   1.9850 4.819000 3.971000 
1 1 1   21   15   23 o   15.670   1.4990 3.743000 2.997000 
1 1 1   21   15   24 o   8.8680   2.0820 2.300000 4.163000 
1 1 1   21   15   25 o   8.9710   2.0560 1.715000 4.111000 
1 1 1   21   15   26 o   16.970   1.3900 -5.227000 2.780000 
1 1 1   21   15   27 o   8.4150   2.0190 3.031000 4.037000 
1 1 1   21   15   28 o   7.6450   3.1590      ?      ? 
1 1 1   21   16    0 o   11.380   2.2990 -0.000000 0.000000 
1 1 1   21   16    1 f   5.6410   1.7950 -0.4728000 3.590000 
1 1 1   21   16    2 o   18.990   0.9806 0.8731000 1.961000 
1 1 1   21   16    3 o   18.210   1.0190 1.949000 2.038000 
1 1 1   21   16    4 o   8.8280   1.8810 1.379000 3.762000 
1 1 1   21   16    5 o   20.200   0.9873 -0.8604000 1.975000 
1 1 1   21   16    6 o   32.490   0.6346 -0.3021000 1.269000 
1 1 1   21   16    7 o   28.920   0.6955 0.2345000 1.391000 
1 1 1   21   16    8 o   20.030   0.9984 -6.306000 1.997000 
1 1 1   21   16    9 o   29.040   0.7021 1.251000 1.404000 
1 1 1   21   16   10 o   12.550   1.6080 -2.523000 3.215000 
1 1 1   21   16   11 o   29.280   0.7037 0.7926000 1.407000 
1 1 1   21   16   12 o   10.250   1.9080 -0.5100000 3.817000 
1 1 1   21   16   13 o   6.4270   1.8850 0.9613000E-01 3.770000 
1 1 1   21   16   14 o   7.5510   1.9590 1.880000 3.917000 
1 1 1   21   16   15 o   23.230   0.9785 0.2656000E-01 1.957000 
1 1 1   21   16   16 o   16.760   1.4240 -2.826000 2.848000 
1 1 1   21   16   17 o   12.510   1.8730 1.094000 3.746000 
1 1 1   21   16   18 o   14.390   1.7220 9.141000 3.444000 
1 1 1   21   16   19 o   18.060   1.3170 -0.7625000 2.634000 
1 1 1   21   16   20 o   7.9700   2.2540 0.2681000 4.507000 
1 1 1   21   16   21 o   7.9870   2.0840 3.326000 4.168000 
1 1 1   21   16   22 o   22.760   1.1280 3.719000 2.257000 
1 1 1   21   16   23 o   25.980   0.9342 -4.369000 1.868000 
1 1 1   21   16   24 o   9.4140   2.0530 3.566000 4.107000 
1 1 1   21   16   25 o   9.7150   2.0960 0.1186000 4.191000 
1 1 1   21   16   26 o   10.920   1.9520 1.776000 3.904000 
1 1 1   21   17    0 o   24.060   1.2230 -0.000000 0.000000 
1 1 1   21   17    1 o   32.880   0.6715 -0.2277000 1.343000 
1 1 1   21   17    2 o   26.630   0.7714 0.4984000 1.543000 
1 1 1   21   17    3 o   13.260   1.5690 3.948000 3.137000 
1 1 1   21   17    4 o   23.340   0.8824 -2.931000 1.765000 
1 1 1   21   17    5 f   37.410   0.6202 0.1386000 1.240000 
1 1 1   21   17    6 o   27.280   0.7684 -2.964000 1.537000 
1 1 1   21   17    7 o   7.2980   1.9600 -1.534000 3.920000 
1 1 1   21   17    8 o   21.060   1.0070 -1.873000 2.014000 
1 1 1   21   17    9 o   18.950   1.1080 -0.2006000 2.216000 
1 1 1   21   17   10 o   14.100   1.6850 2.890000 3.370000 
1 1 1   21   17   11 o   7.5630   1.8780 -4.472000 3.756000 
1 1 1   21   17   12 o   7.7010   2.0070 1.438000 4.013000 
1 1 1   21   17   13 o   8.3880   2.0490 -1.171000 4.097000 
1 1 1   21   17   14 o   23.760   0.9375 -2.031000 1.875000 
1 1 1   21   17   15 o   7.9140   1.9670 -3.518000 3.934000 
1 1 1   21   17   16 o   12.730   1.8790 -6.022000 3.757000 
1 1 1   21   17   17 o   11.470   2.0780 1.921000 4.156000 
1 1 1   21   17   18 o   13.490   1.8170 -0.5721000 3.635000 
1 1 1   21   17   19 o   9.9430   2.0970 4.364000 4.193000 
1 1 1   21   17   20 o   10.960   2.0840 -0.2200000 4.167000 
1 1 1   21   17   21 o   8.6240   2.1410 -0.6244000 4.282000 
1 1 1   21   17   22 o   7.9180   2.0790 -1.619000 4.159000 
1 1 1   21   17   23 f   8.1870   2.0580 -2.530000 4.116000 
1 1 1   21   17   24 o   9.1510   2.1220 0.2671000 4.244000 
1 1 1   21   17   25 o   7.3950   2.0420 -0.4095000 4.085000 
1 1 1   21   18    0 o   22.700   1.3610 -0.000000 0.000000 
1 1 1   21   18    1 o   21.160   1.0290 -3.587000 2.059000 
1 1 1   21   18    2 o   6.2150   1.8810 0.2905000 3.762000 
1 1 1   21   18    3 o   26.050   0.8622 -2.817000 1.724000 
1 1 1   21   18    4 o   21.290   1.0260 0.6082000 2.052000 
1 1 1   21   18    5 o   8.6580   2.0470 -0.2663000 4.095000 
1 1 1   21   18    6 o   15.510   1.4530 -0.5796000 2.906000 
1 1 1   21   18    7 o   13.910   1.6260 1.327000 3.252000 
1 1 1   21   18    8 o   21.590   1.0400 -1.078000 2.079000 
1 1 1   21   18    9 o   22.280   1.0200 -1.172000 2.039000 
1 1 1   21   18   10 o   16.850   1.3680 -0.3161000 2.737000 
1 1 1   21   18   11 o   22.060   1.0430 -5.194000 2.086000 
1 1 1   21   18   12 o   16.300   1.4340 2.728000 2.868000 
1 1 1   21   18   13 o   8.3920   1.8170 6.777000 3.635000 
1 1 1   21   18   14 o   13.000   1.7700 -7.519000 3.541000 
1 1 1   21   18   15 o   11.680   1.9600 0.8801000 3.919000 
1 1 1   21   18   16 o   11.330   1.9440 3.884000 3.887000 
1 1 1   21   18   17 o   18.950   1.2030 0.4911000 2.405000 
1 1 1   21   18   18 o   8.5310   2.1440 2.432000 4.288000 
1 1 1   21   18   19 o   10.610   2.1220 1.418000 4.243000 
1 1 1   21   18   20 o   7.1680   2.0710 0.4429000E-01 4.142000 
1 1 1   21   18   21 o   8.2580   2.0610 3.921000 4.122000 
1 1 1   21   18   22 o   6.8050   1.9760 -1.619000 3.952000 
1 1 1   21   18   23 o   6.3720   1.9440 0.3417000 3.887000 
1 1 1   21   18   24 o   8.4830   2.5680 8.519000 5.136000 
1 1 1   21   19    0 o   25.270   1.2900 -0.000000 0.000000 
1 1 1   21   19    1 o   7.8940   2.0890 -0.1907000 4.178000 
1 1 1   21   19    2 o   15.930   1.4970 -2.820000 2.994000 
1 1 1   21   19    3 o   11.290   1.8810 6.113000 3.762000 
1 1 1   21   19    4 o   8.7240   2.1290 -1.799000 4.257000 
1 1 1   21   19    5 o   12.900   1.8380 0.8975000 3.675000 
1 1 1   21   19    6 o   13.070   1.8740 -1.648000 3.749000 
1 1 1   21   19    7 o   22.810   1.0580 0.5301000 2.116000 
1 1 1   21   19    8 o   8.7230   2.0930 2.910000 4.187000 
1 1 1   21   19    9 o   7.5460   2.0770 2.073000 4.153000 
1 1 1   21   19   10 o   19.630   1.2230 -0.6077000 2.446000 
1 1 1   21   19   11 o   8.8650   2.0320 4.339000 4.064000 
1 1 1   21   19   12 o   16.770   1.4230 1.879000 2.845000 
1 1 1   21   19   13 o   8.9480   2.1430 0.4794000 4.286000 
1 1 1   21   19   14 o   6.7020   2.0040 -0.2232000 4.008000 
1 1 1   21   19   15 o   9.3870   2.1450 0.6219000 4.290000 
1 1 1   21   19   16 o   8.9460   2.0710 -2.506000 4.141000 
1 1 1   21   19   17 o   15.370   1.4930 2.418000 2.986000 
1 1 1   21   19   18 o   10.130   1.9530 -4.349000 3.907000 
1 1 1   21   19   19 o   6.6160   1.9070 -3.293000 3.814000 
1 1 1   21   19   20 o   7.8870   2.1180 -1.194000 4.236000 
1 1 1   21   19   21 o   7.3690   2.0240 -2.213000 4.049000 
1 1 1   21   19   22 o   5.6300   1.8120 -0.1889000 3.624000 
1 1 1   21   20    0 o   14.190   2.5390 -0.000000 0.000000 
1 1 1   21   20    1 o   27.260   0.9353 -0.9139000 1.871000 
1 1 1   21   20    2 f   9.3410   2.2060 1.044000 4.412000 
1 1 1   21   20    3 o   13.530   1.8710 -3.119000 3.742000 
1 1 1   21   20    4 o   8.5550   2.1820 1.153000 4.365000 
1 1 1   21   20    5 o   8.4870   2.1300 -2.711000 4.259000 
1 1 1   21   20    6 o   10.670   2.1470 -2.481000 4.294000 
1 1 1   21   20    7 o   21.640   1.1730 3.187000 2.345000 
1 1 1   21   20    8 o   11.970   2.0490 -1.285000 4.098000 
1 1 1   21   20    9 o   10.340   2.1650 1.797000 4.331000 
1 1 1   21   20   10 o   8.1980   2.0480 4.311000 4.096000 
1 1 1   21   20   11 o   11.850   2.0030 2.983000 4.007000 
1 1 1   21   20   12 o   11.710   1.9920 2.425000 3.985000 
1 1 1   21   20   13 o   8.9300   2.0280 3.870000 4.056000 
1 1 1   21   20   14 o   8.3790   2.1050 1.468000 4.210000 
1 1 1   21   20   15 o   10.390   2.0640 1.727000 4.128000 
1 1 1   21   20   16 f   7.4000   2.0190 -2.009000 4.037000 
1 1 1   21   20   17 o   8.1910   1.8490 5.978000 3.698000 
1 1 1   21   20   18 o   6.0140   1.8710 0.2879000 3.742000 
1 1 1   21   20   19 o   8.2970   2.0070 -3.077000 4.015000 
1 1 1   21   20   20 o   6.9320   2.0370 1.956000 4.074000 
1 1 1   21   21    0 o   13.460   2.6760 -0.000000 0.000000 
1 1 1   21   21    1 o   8.1560   2.1730 -0.7763000 4.346000 
1 1 1   21   21    2 o   9.4270   2.2220 1.755000 4.444000 
1 1 1   21   21    3 o   18.840   1.3350 1.728000 2.671000 
1 1 1   21   21    4 o   7.6920   2.1330 1.913000 4.267000 
1 1 1   21   21    5 o   11.610   2.0610 3.548000 4.122000 
1 1 1   21   21    6 o   9.4980   2.2530 -0.2184000 4.506000 
1 1 1   21   21    7 o   11.830   2.0510 -6.834000 4.102000 
1 1 1   21   21    8 o   14.460   1.7470 -1.798000 3.494000 
1 1 1   21   21    9 o   15.870   1.5550 0.1367000 3.110000 
1 1 1   21   21   10 o   9.0180   2.1820 0.6175000 4.365000 
1 1 1   21   21   11 o   11.760   1.9070 -6.824000 3.814000 
1 1 1   21   21   12 o   9.5870   1.9310 -6.257000 3.862000 
1 1 1   21   21   13 o   8.6780   1.8380 -6.389000 3.677000 
1 1 1   21   21   14 o   11.910   1.8680 4.706000 3.736000 
1 1 1   21   21   15 o   5.9200   1.8460 1.809000 3.692000 
1 1 1   21   21   16 o   7.1430   1.9660 2.808000 3.931000 
1 1 1   21   21   17 o   9.1590   2.0130 2.156000 4.026000 
1 1 1   21   21   18 o   5.9300   1.8430 -0.6136000E-01 3.686000 
1 1 1   21   22    0 o   11.700   3.0150 -0.000000 0.000000 
1 1 1   21   22    1 o   8.2960   2.1530 2.366000 4.306000 
1 1 1   21   22    2 o   12.170   2.0660 2.700000 4.133000 
1 1 1   21   22    3 o   12.410   2.0200 4.521000 4.040000 
1 1 1   21   22    4 o   7.9670   2.1610 0.5221000 4.322000 
1 1 1   21   22    5 o   11.670   2.0580 -2.552000 4.115000 
1 1 1   21   22    6 o   5.9970   1.9110 -0.3708000 3.823000 
1 1 1   21   22    7 o   8.3990   2.1970 -0.3449000 4.394000 
1 1 1   21   22    8 o   5.8780   1.8590 -2.225000 3.718000 
1 1 1   21   22    9 o   9.8340   2.1330 -1.035000 4.267000 
1 1 1   21   22   10 o   16.470   1.4960 4.363000 2.992000 
1 1 1   21   22   11 o   13.550   1.7630 -2.200000 3.527000 
1 1 1   21   22   12 o   7.0570   2.0270 -0.2833000 4.054000 
1 1 1   21   22   13 o   10.150   1.9660 -3.705000 3.933000 
1 1 1   21   22   14 o   7.8310   1.9820 2.624000 3.964000 
1 1 1   21   22   15 o   7.8820   1.9050 4.611000 3.811000 
1 1 1   21   23    0 o   6.6890   2.8940 -0.000000 0.000000 
1 1 1   21   23    1 o   10.130   2.1500 3.808000 4.299000 
1 1 1   21   23    2 o   6.9310   2.0070 2.909000 4.015000 
1 1 1   21   23    3 o   8.2980   2.1700 -1.909000 4.340000 
1 1 1   21   23    4 o   12.080   2.0680 -1.248000 4.136000 
1 1 1   21   23    5 f   6.8410   2.0330 2.047000 4.066000 
1 1 1   21   23    6 o   5.3430   1.7710 0.7575000 3.542000 
1 1 1   21   23    7 o   9.5100   2.1660 1.546000 4.333000 
1 1 1   21   23    8 o   7.3770   2.0650 -1.195000 4.130000 
1 1 1   21   23    9 o   10.700   1.8710 -8.188000 3.741000 
1 1 1   21   23   10 o   6.5040   1.9240 -1.109000 3.848000 
1 1 1   21   23   11 o   6.3520   1.8900 -1.641000 3.780000 
1 1 1   21   23   12 f   6.3370   1.9010 -1.128000 3.803000 
1 1 1   21   24    0 o   6.4480   2.8040 -0.000000 0.000000 
1 1 1   21   24    1 o   5.9760   1.8970 0.1391000 3.795000 
1 1 1   21   24    2 o   6.8520   1.9640 -3.057000 3.929000 
1 1 1   21   24    3 o   8.2360   2.0730 -3.448000 4.145000 
1 1 1   21   24    4 o   9.7940   2.0870 3.182000 4.175000 
1 1 1   21   24    5 o   11.380   1.9890 -3.179000 3.978000 
1 1 1   21   24    6 o   6.9020   2.0010 1.143000 4.001000 
1 1 1   21   24    7 o   7.5560   2.0340 -3.402000 4.067000 
1 1 1   22    0    0 o   32.610   0.5672 -0.000000 0.000000 
1 1 1   22    0    1 o   22.270   0.3750 -0.000000 0.000000 
1 1 1   22    0    2 o   71.790   0.7584 -0.000000 0.000000 
1 1 1   22    0    3 o  112.000   1.1710 -0.000000 0.000000 
1 1 1   22    0    4 o  111.300   1.3420 -0.000000 0.000000 
1 1 1   22    0    5 o   26.530   0.4267 -0.000000 0.000000 
1 1 1   22    0    6 o   7.9550   0.8654 -0.000000 0.000000 
1 1 1   22    0    7 o   55.410   0.6864 -0.000000 0.000000 
1 1 1   22    0    8 o   94.910   1.1480 -0.000000 0.000000 
1 1 1   22    0    9 o   82.710   1.0040 -0.000000 0.000000 
1 1 1   22    0   10 o  112.100   1.6600 -0.000000 0.000000 
1 1 1   22    0   11 f   5.1810   1.5380 -0.000000 0.000000 
1 1 1   22    0   12 o   4.5740   1.5830 -0.000000 0.000000 
1 1 1   22    0   13 o   4.1680   1.5570 -0.000000 0.000000 
1 1 1   22    0   14 o   28.350   0.5578 -0.000000 0.000000 
1 1 1   22    0   15 o   62.690   0.9558 -0.000000 0.000000 
1 1 1   22    0   16 o   4.2190   1.5260 -0.000000 0.000000 
1 1 1   22    0   17 o   4.3940   1.5110 -0.000000 0.000000 
1 1 1   22    0   18 o   43.170   0.7234 -0.000000 0.000000 
1 1 1   22    0   19 f   16.500   1.4960 -0.000000 0.000000 
1 1 1   22    0   20 o   45.040   1.1280 -0.000000 0.000000 
1 1 1   22    0   21 o   35.240   1.0840 -0.000000 0.000000 
1 1 1   22    0   22 o   30.820   1.1490 -0.000000 0.000000 
1 1 1   22    0   23 o   17.390   1.6720 -0.000000 0.000000 
1 1 1   22    0   24 o   35.740   1.1730 -0.000000 0.000000 
1 1 1   22    0   25 f   11.680   2.9120 -0.000000 0.000000 
1 1 1   22    0   26 o   34.300   1.2970 -0.000000 0.000000 
1 1 1   22    0   27 o   56.550   1.4080 -0.000000 0.000000 
1 1 1   22    0   28 o   47.090   1.3650 -0.000000 0.000000 
1 1 1   22    0   29 o   30.830   1.5360 -0.000000 0.000000 
1 1 1   22    0   30 o   11.390   3.4930 -0.000000 0.000000 
1 1 1   22    0   31 o   15.430   2.9770 -0.000000 0.000000 
1 1 1   22    0   32 o   11.330   3.5090 -0.000000 0.000000 
1 1 1   22    0   33 o   7.5890   3.2860 -0.000000 0.000000 
1 1 1   22    0   34 o   8.9330   3.4190 -0.000000 0.000000 
1 1 1   22    0   35 o   19.310   2.4260 -0.000000 0.000000 
1 1 1   22    1    1 o   56.590   0.6074 2.549000 1.215000 
1 1 1   22    1    2 o   73.430   0.7768 9.676000 1.554000 
1 1 1   22    1    3 o  117.900   1.2330 -6.764000 2.465000 
1 1 1   22    1    4 o  113.600   1.1880 3.211000 2.375000 
1 1 1   22    1    5 o  158.200   1.6490 -1.795000 3.299000 
1 1 1   22    1    6 f   72.660   0.7677 0.7186000 1.535000 
1 1 1   22    1    7 o  106.700   1.1170 2.810000 2.233000 
1 1 1   22    1    8 o   43.770   0.4916 5.495000 0.9831000 
1 1 1   22    1    9 o   91.560   0.9619 7.252000 1.924000 
1 1 1   22    1   10 o  120.200   1.2570 5.489000 2.514000 
1 1 1   22    1   11 o   50.060   0.4994 1.505000 0.9989000 
1 1 1   22    1   12 o   18.690   0.3746 -2.222000 0.7491000 
1 1 1   22    1   13 o   63.630   0.6143 9.190000 1.229000 
1 1 1   22    1   14 o   17.690   0.3790 -2.737000 0.7580000 
1 1 1   22    1   15 o   32.940   0.3871 3.633000 0.7741000 
1 1 1   22    1   16 o   36.130   0.4790 4.838000 0.9579000 
1 1 1   22    1   17 o   42.470   0.5737 -8.085000 1.147000 
1 1 1   22    1   18 o   27.790   0.3556 2.253000 0.7113000 
1 1 1   22    1   19 o   20.160   0.5457      ?      ? 
1 1 1   22    1   20 o   17.990   0.4540 3.614000 0.9080000 
1 1 1   22    1   21 f   45.870   0.6871 -1.333000 1.374000 
1 1 1   22    1   22 o   5.8350   1.7920 0.4171000 3.584000 
1 1 1   22    1   23 o   13.440   1.6020 -1.764000 3.204000 
1 1 1   22    1   24 o   38.330   0.8224 -0.9400000 1.645000 
1 1 1   22    1   25 o   30.990   0.9222 -5.241000 1.844000 
1 1 1   22    1   26 o   8.7660   2.1450 4.305000 4.289000 
1 1 1   22    1   27 o   6.1870   1.9930 0.1647000E-01 3.986000 
1 1 1   22    1   28 o   9.8620   2.4580 -0.8688000 4.917000 
1 1 1   22    1   29 o   39.610   1.0050 0.7435000 2.009000 
1 1 1   22    1   30 o   7.3540   2.2560 2.399000 4.512000 
1 1 1   22    1   31 o   15.100   2.1750 1.854000 4.350000 
1 1 1   22    1   32 o   13.450   2.3370 4.578000 4.674000 
1 1 1   22    1   33 o   7.6990   2.3170 -0.9445000E-01 4.633000 
1 1 1   22    1   34 f   19.660   1.5860 0.3653000 3.171000 
1 1 1   22    1   35 o   6.9730   2.1740 0.6605000 4.348000 
1 1 1   22    2    0 o   6.8960   1.3490 -0.000000 0.000000 
1 1 1   22    2    1 o   74.720   0.7892 -2.791000 1.578000 
1 1 1   22    2    2 o  193.400   2.0150 10.41000 4.030000 
1 1 1   22    2    3 o   77.390   0.8160 2.814000 1.632000 
1 1 1   22    2    4 f   82.690   0.8704 2.367000 1.741000 
1 1 1   22    2    5 o   67.050   0.7121 -3.833000 1.424000 
1 1 1   22    2    6 f  104.700   1.0950 6.111000 2.191000 
1 1 1   22    2    7 o   14.740   0.7443      ?      ? 
1 1 1   22    2    8 o  106.400   1.1140 2.289000 2.227000 
1 1 1   22    2    9 o   69.820   0.7417 0.7645000 1.483000 
1 1 1   22    2   10 o   28.420   0.4104 3.139000 0.8207000 
1 1 1   22    2   11 o   76.920   0.8133 0.5301000 1.627000 
1 1 1   22    2   12 o   34.240   0.4345 -5.618000 0.8690000 
1 1 1   22    2   13 o   27.320   0.4194 0.8433000 0.8388000 
1 1 1   22    2   14 o   72.660   0.7730 -2.465000 1.546000 
1 1 1   22    2   15 o   52.810   0.5346 0.7774000E-02 1.069000 
1 1 1   22    2   16 o   38.520   0.4317 0.8780000E-01 0.8634000 
1 1 1   22    2   17 o   31.520   0.4850      ?      ? 
1 1 1   22    2   18 o   16.340   0.4858 -1.462000 0.9716000 
1 1 1   22    2   19 o   26.600   0.4557 2.362000 0.9114000 
1 1 1   22    2   20 o   67.850   0.6492 -5.032000 1.298000 
1 1 1   22    2   21 f   18.770   0.8199      ?      ? 
1 1 1   22    2   22 o   30.330   0.6455      ?      ? 
1 1 1   22    2   24 o   21.380   0.7096      ?      ? 
1 1 1   22    2   25 f   16.100   0.8194      ?      ? 
1 1 1   22    2   26 o   21.530   0.8411 -2.992000 1.682000 
1 1 1   22    2   27 o   31.770   0.7574 -3.586000 1.515000 
1 1 1   22    2   28 o   17.650   1.1960 -1.252000 2.392000 
1 1 1   22    2   29 o   30.070   0.8811 0.2240000 1.762000 
1 1 1   22    2   30 o   17.700   1.9190 -4.638000 3.839000 
1 1 1   22    2   31 o   7.8310   2.3540 1.815000 4.709000 
1 1 1   22    2   32 o   9.4360   2.4870 -1.718000 4.973000 
1 1 1   22    2   33 o   10.560   2.3090 6.895000 4.617000 
1 1 1   22    2   34 f   12.850   2.3130 6.004000 4.627000 
1 1 1   22    2   35 o   13.030   2.1230 -8.582000 4.246000 
1 1 1   22    3    0 o  127.100   1.8780 -0.000000 0.000000 
1 1 1   22    3    1 o   80.890   0.8543 1.931000 1.709000 
1 1 1   22    3    2 o   67.820   0.7230 3.140000 1.446000 
1 1 1   22    3    3 o   35.640   0.4449 -3.953000 0.8898000 
1 1 1   22    3    4 o   7.3580   1.0720 2.312000 2.143000 
1 1 1   22    3    5 o   69.320   0.7378 0.5655000 1.476000 
1 1 1   22    3    6 o   81.180   0.8577 6.008000 1.715000 
1 1 1   22    3    7 o   44.030   0.5063 3.980000 1.013000 
1 1 1   22    3    8 o  107.200   1.1230 -3.048000 2.246000 
1 1 1   22    3    9 o   49.730   0.5533 -0.7354000 1.107000 
1 1 1   22    3   10 o   60.400   0.6533 -1.845000 1.307000 
1 1 1   22    3   11 o   35.320   0.4544 2.574000 0.9088000 
1 1 1   22    3   12 o   49.810   0.5566 1.910000 1.113000 
1 1 1   22    3   13 o   28.720   0.4031 2.566000 0.8061000 
1 1 1   22    3   14 o   22.590   0.5259      ?      ? 
1 1 1   22    3   15 o   31.950   0.5128      ?      ? 
1 1 1   22    3   16 o   9.4180   1.0320 -0.9287000 2.064000 
1 1 1   22    3   17 o   20.090   0.5727      ?      ? 
1 1 1   22    3   18 o   10.840   0.9591 1.626000 1.918000 
1 1 1   22    3   19 o   53.380   0.5518 -2.942000 1.104000 
1 1 1   22    3   20 o   14.560   0.6559 -0.4077000 1.312000 
1 1 1   22    3   21 o   54.760   0.5714 -5.819000 1.143000 
1 1 1   22    3   22 o   51.250   0.5449 -2.622000 1.090000 
1 1 1   22    3   23 o   37.320   0.4960 0.3520000 0.9921000 
1 1 1   22    3   24 o   52.470   0.5670 0.4133000 1.134000 
1 1 1   22    3   25 o   23.870   1.5810      ?      ? 
1 1 1   22    3   26 o   5.4700   1.7110 -0.1738000 3.423000 
1 1 1   22    3   27 o   9.3260   1.8770 2.181000 3.754000 
1 1 1   22    3   28 o   29.600   0.8686      ?      ? 
1 1 1   22    3   30 o   13.370   1.5450      ?      ? 
1 1 1   22    3   31 o   13.740   1.4280      ?      ? 
1 1 1   22    3   32 o   19.030   1.2270 0.7338000E-01 2.455000 
1 1 1   22    3   33 o   26.740   0.9847 -0.8180000 1.969000 
1 1 1   22    3   34 o   9.6430   1.8970 2.085000 3.794000 
1 1 1   22    3   35 o   6.8720   2.2400      ?      ? 
1 1 1   22    4    0 f   8.6880   1.3930 -0.000000 0.000000 
1 1 1   22    4    1 o  121.300   1.2700 -0.9388000 2.541000 
1 1 1   22    4    2 o   28.630   0.4379 -1.856000 0.8758000 
1 1 1   22    4    3 o   77.890   0.8268 3.189000 1.654000 
1 1 1   22    4    4 f   53.090   0.5891 -7.539000 1.178000 
1 1 1   22    4    5 o   93.920   0.9887 1.281000 1.977000 
1 1 1   22    4    6 o   88.230   0.9308 0.2930000 1.862000 
1 1 1   22    4    7 o   67.110   0.7214 0.8558000 1.443000 
1 1 1   22    4    8 o   65.550   0.7066 1.037000 1.413000 
1 1 1   22    4    9 o   49.020   0.5594 8.916000 1.119000 
1 1 1   22    4   10 o   39.350   0.4406 1.106000 0.8813000 
1 1 1   22    4   11 o   42.850   0.4691 -4.211000 0.9382000 
1 1 1   22    4   12 o   12.240   0.7278 2.042000 1.456000 
1 1 1   22    4   13 o   22.050   0.4673 4.041000 0.9346000 
1 1 1   22    4   14 o   31.560   0.4286 -2.893000 0.8572000 
1 1 1   22    4   15 o   14.880   0.8037      ?      ? 
1 1 1   22    4   16 o   33.890   0.4465 3.979000 0.8929000 
1 1 1   22    4   17 o   29.520   0.4442 1.756000 0.8884000 
1 1 1   22    4   18 o   38.520   0.4682 -0.7398000 0.9365000 
1 1 1   22    4   19 o   39.460   0.4726 -0.6817000 0.9451000 
1 1 1   22    4   20 o   24.230   0.5207 3.575000 1.041000 
1 1 1   22    4   21 o   21.570   0.5480 -3.863000 1.096000 
1 1 1   22    4   22 o   32.550   0.4863 2.275000 0.9725000 
1 1 1   22    4   23 o   25.680   0.5369 1.709000 1.074000 
1 1 1   22    4   24 o   19.880   0.6436 0.3297000E-01 1.287000 
1 1 1   22    4   25 o   21.440   0.6729 0.3754000 1.346000 
1 1 1   22    4   26 o   24.850   0.6116 1.835000 1.223000 
1 1 1   22    4   27 o   10.460   1.7990 3.359000 3.597000 
1 1 1   22    4   28 o   32.700   0.8598 1.239000 1.720000 
1 1 1   22    4   29 o   18.310   1.2810 -2.474000 2.561000 
1 1 1   22    4   30 o   19.270   1.4370 0.6707000E-01 2.875000 
1 1 1   22    4   31 o   11.250   2.1150 1.193000 4.229000 
1 1 1   22    4   32 o   17.540   1.7190 4.814000 3.439000 
1 1 1   22    4   33 o   8.1540   2.4820      ?      ? 
1 1 1   22    4   34 o   12.590   1.8520      ?      ? 
1 1 1   22    5    0 o   77.540   1.1700 -0.000000 0.000000 
1 1 1   22    5    1 o  123.800   1.2970 10.52000 2.595000 
1 1 1   22    5    2 o   50.710   0.5741 -1.403000 1.148000 
1 1 1   22    5    3 o  115.500   1.2110 1.449000 2.422000 
1 1 1   22    5    4 o   77.840   0.8301 4.122000 1.660000 
1 1 1   22    5    5 o   58.290   0.6413 -1.509000 1.283000 
1 1 1   22    5    6 o   65.900   0.7147 -6.181000 1.429000 
1 1 1   22    5    7 o   46.460   0.5003 -1.241000 1.001000 
1 1 1   22    5    8 o   27.340   0.4392 -0.1961000E-02 0.8784000 
1 1 1   22    5    9 o   43.340   0.4790 -0.9507000 0.9580000 
1 1 1   22    5   10 o   55.510   0.5680 -3.982000 1.136000 
1 1 1   22    5   11 o   10.160   0.9999 3.680000 2.000000 
1 1 1   22    5   12 o   37.150   0.5739      ?      ? 
1 1 1   22    5   13 o   49.260   0.5175 0.9261000 1.035000 
1 1 1   22    5   14 o   22.160   0.5063 1.470000 1.013000 
1 1 1   22    5   15 o   41.640   0.4854 -3.998000 0.9709000 
1 1 1   22    5   16 o   17.250   0.6315 0.5117000 1.263000 
1 1 1   22    5   17 f   69.250   0.6862 -0.7723000 1.372000 
1 1 1   22    5   18 o   59.320   0.6053 1.066000 1.211000 
1 1 1   22    5   19 o   55.830   0.6395 1.370000 1.279000 
1 1 1   22    5   20 o   17.840   0.7168 1.429000 1.434000 
1 1 1   22    5   21 o   92.220   0.9028 -5.242000 1.806000 
1 1 1   22    5   22 o   51.330   0.5683 -2.904000 1.137000 
1 1 1   22    5   23 o   34.800   0.5223 -2.295000 1.045000 
1 1 1   22    5   24 o   32.810   0.5402 1.954000 1.080000 
1 1 1   22    5   25 o   29.850   0.5651 0.2290000 1.130000 
1 1 1   22    5   26 o   32.620   0.5732 0.8283000 1.146000 
1 1 1   22    5   27 o   28.460   0.6213 -1.511000 1.243000 
1 1 1   22    5   28 o   27.680   0.9561 0.9609000 1.912000 
1 1 1   22    5   29 o   8.6880   2.0100 -8.678000 4.020000 
1 1 1   22    5   30 o   33.180   0.9080 -1.232000 1.816000 
1 1 1   22    5   31 o   21.050   1.3760 2.488000 2.752000 
1 1 1   22    5   32 o   9.8420   2.0420 -1.353000 4.084000 
1 1 1   22    5   33 o   13.350   1.7670 -2.371000 3.533000 
1 1 1   22    5   34 o   11.150   1.9000 0.3598000 3.801000 
1 1 1   22    6    0 o  135.200   2.0010 -0.000000 0.000000 
1 1 1   22    6    1 o   87.950   0.9327 1.544000 1.865000 
1 1 1   22    6    2 o   31.860   0.4906 2.560000 0.9812000 
1 1 1   22    6    3 o   74.230   0.7982 3.824000 1.596000 
1 1 1   22    6    4 o   52.370   0.5468 -0.1303000 1.094000 
1 1 1   22    6    5 o   44.270   0.5440 0.5082000 1.088000 
1 1 1   22    6    6 o   64.120   0.6398 0.1385000 1.280000 
1 1 1   22    6    7 o   40.370   0.4751 -3.437000 0.9502000 
1 1 1   22    6    8 o   36.850   0.4617 -2.803000 0.9234000 
1 1 1   22    6    9 o   30.380   0.4576 -3.382000 0.9153000 
1 1 1   22    6   10 o   62.750   0.6244 4.888000 1.249000 
1 1 1   22    6   11 o   14.310   0.7871 4.785000 1.574000 
1 1 1   22    6   12 o   25.480   0.4965 3.904000 0.9930000 
1 1 1   22    6   13 o   55.230   0.5089 -2.117000 1.018000 
1 1 1   22    6   14 o   31.150   0.4113 -2.291000 0.8226000 
1 1 1   22    6   15 o   37.620   0.4257 -2.351000 0.8514000 
1 1 1   22    6   16 o   20.670   0.6085 -3.220000 1.217000 
1 1 1   22    6   17 o   37.510   0.4302 2.713000 0.8603000 
1 1 1   22    6   18 o   59.150   0.6099 1.266000 1.220000 
1 1 1   22    6   19 o   29.810   0.4528 -2.452000 0.9056000 
1 1 1   22    6   20 o   22.070   0.5332 0.4930000 1.066000 
1 1 1   22    6   21 o   23.190   0.5288 -1.800000 1.058000 
1 1 1   22    6   22 o   26.780   0.5014 2.122000 1.003000 
1 1 1   22    6   23 f   16.900   0.7083 1.419000 1.417000 
1 1 1   22    6   24 o   48.040   0.5001 -2.489000 1.000000 
1 1 1   22    6   25 o   18.580   0.6871 -0.5869000 1.374000 
1 1 1   22    6   26 o   6.8240   1.2650 6.265000 2.530000 
1 1 1   22    6   27 o   17.170   0.8845 -2.261000 1.769000 
1 1 1   22    6   28 o   24.830   0.5907 2.425000 1.181000 
1 1 1   22    6   29 o   17.550   0.7829 -1.657000 1.566000 
1 1 1   22    6   30 o   17.560   0.8342 1.628000 1.668000 
1 1 1   22    6   31 o   6.5610   1.6480 0.8621000 3.295000 
1 1 1   22    6   32 o   20.160   0.7066 1.508000 1.413000 
1 1 1   22    6   33 o   7.1640   1.5630 2.758000 3.126000 
1 1 1   22    6   34 o   5.2450   1.4620 2.101000 2.923000 
1 1 1   22    7    0 o   19.030   0.7116 -0.000000 0.000000 
1 1 1   22    7    1 o   30.320   0.4739 -5.399000 0.9478000 
1 1 1   22    7    2 o   71.710   0.7104 -0.1904000E-01 1.421000 
1 1 1   22    7    3 o   58.410   0.6040 -4.307000 1.208000 
1 1 1   22    7    4 o   67.370   0.6750 -3.358000 1.350000 
1 1 1   22    7    5 o   70.190   0.6992 -1.034000 1.398000 
1 1 1   22    7    6 o   84.980   0.8243 3.928000 1.649000 
1 1 1   22    7    7 o   56.050   0.5223 2.141000 1.045000 
1 1 1   22    7    8 o   42.290   0.4973 -1.947000 0.9946000 
1 1 1   22    7    9 o   55.260   0.5173 2.179000 1.035000 
1 1 1   22    7   10 o   19.630   0.5782 8.682000 1.156000 
1 1 1   22    7   11 o   26.670   0.5007 -1.604000 1.001000 
1 1 1   22    7   12 o   54.630   0.5125 -1.664000 1.025000 
1 1 1   22    7   13 o   23.760   0.4828 1.361000 0.9656000 
1 1 1   22    7   14 o   45.310   0.4643 -3.003000 0.9285000 
1 1 1   22    7   15 o   8.2990   1.2850 2.564000 2.570000 
1 1 1   22    7   16 o   42.530   0.5136 1.947000 1.027000 
1 1 1   22    7   17 o   13.260   0.9868 5.166000 1.974000 
1 1 1   22    7   18 o   42.640   0.5341 -2.081000 1.068000 
1 1 1   22    7   19 o   16.790   0.8535 -0.9266000 1.707000 
1 1 1   22    7   20 o   26.910   0.5272 -1.976000 1.054000 
1 1 1   22    7   21 o   36.550   0.5291 -1.595000 1.058000 
1 1 1   22    7   22 o   32.230   0.5019 -0.3513000 1.004000 
1 1 1   22    7   23 o   33.890   0.5692 -3.148000 1.138000 
1 1 1   22    7   24 o   21.490   0.6551 0.8927000 1.310000 
1 1 1   22    7   25 o   38.270   0.5082 0.9062000 1.016000 
1 1 1   22    7   26 o   27.130   0.5981 -4.276000 1.196000 
1 1 1   22    7   27 o   26.410   0.6189 -1.630000 1.238000 
1 1 1   22    7   28 o   8.1480   1.6560 2.145000 3.312000 
1 1 1   22    7   29 o   15.280   0.9986 3.220000 1.997000 
1 1 1   22    7   30 o   7.6870   1.5220 -5.893000 3.043000 
1 1 1   22    7   31 o   8.2350   1.8030 -2.536000 3.605000 
1 1 1   22    7   32 o   6.1590   1.6700 0.6737000 3.340000 
1 1 1   22    7   33 o   14.970   1.0000 -0.2812000 2.001000 
1 1 1   22    8    0 o   40.480   0.6363 -0.000000 0.000000 
1 1 1   22    8    1 o   18.990   0.6102 0.2498000 1.220000 
1 1 1   22    8    2 o   75.160   0.6669 -1.316000 1.334000 
1 1 1   22    8    3 o   37.010   0.4470 -4.206000 0.8939000 
1 1 1   22    8    4 o   15.830   0.6526 4.476000 1.305000 
1 1 1   22    8    5 o   85.230   0.6957 -3.773000 1.391000 
1 1 1   22    8    6 o   58.990   0.5498 1.506000 1.100000 
1 1 1   22    8    7 o   45.910   0.4692 -4.969000 0.9384000 
1 1 1   22    8    8 o   18.600   0.6023 4.698000 1.205000 
1 1 1   22    8    9 o   44.000   0.5129 0.9740000 1.026000 
1 1 1   22    8   10 o   19.810   0.6125 1.399000 1.225000 
1 1 1   22    8   11 o   19.600   0.6224 -2.802000 1.245000 
1 1 1   22    8   12 o   51.130   0.5046 -5.803000 1.009000 
1 1 1   22    8   13 o   16.230   0.7239 -0.4314000 1.448000 
1 1 1   22    8   14 o   22.350   0.5562 -2.110000 1.112000 
1 1 1   22    8   15 o   57.890   0.6167 2.989000 1.233000 
1 1 1   22    8   16 o   29.670   0.4930 -3.117000 0.9860000 
1 1 1   22    8   17 o   20.770   0.7411 -0.1786000 1.482000 
1 1 1   22    8   18 o   29.460   0.5902 -0.6535000 1.180000 
1 1 1   22    8   19 o   29.220   0.5245 -1.142000 1.049000 
1 1 1   22    8   20 o   15.340   0.9042 1.707000 1.808000 
1 1 1   22    8   21 o   37.370   0.5087 1.558000 1.017000 
1 1 1   22    8   22 f   30.650   0.5573 -3.401000 1.115000 
1 1 1   22    8   23 o   14.030   1.2280 -1.475000 2.456000 
1 1 1   22    8   24 o   42.550   0.5936 -0.3326000 1.187000 
1 1 1   22    8   25 o   28.690   0.6115 2.969000 1.223000 
1 1 1   22    8   26 o   37.930   0.6254 -0.2915000 1.251000 
1 1 1   22    8   27 o   25.990   0.6610 -1.099000 1.322000 
1 1 1   22    8   28 o   12.500   1.3230 0.5810000E-01 2.646000 
1 1 1   22    8   29 o   23.000   0.7318 1.430000 1.464000 
1 1 1   22    8   30 o   10.960   1.5090 2.504000 3.019000 
1 1 1   22    8   31 o   17.580   0.9009 2.405000 1.802000 
1 1 1   22    8   32 o   9.5200   1.6540 1.295000 3.307000 
1 1 1   22    8   33 o   8.1740   1.6320 3.095000 3.264000 
1 1 1   22    9    0 o   51.930   0.7314 -0.000000 0.000000 
1 1 1   22    9    1 o   21.190   0.5766 -3.010000 1.153000 
1 1 1   22    9    2 o   41.400   0.4478 4.344000 0.8957000 
1 1 1   22    9    3 o   7.3800   1.4020 3.239000 2.804000 
1 1 1   22    9    4 o   29.370   0.4672 1.020000 0.9343000 
1 1 1   22    9    5 o   32.620   0.4504 1.746000 0.9009000 
1 1 1   22    9    6 o   35.940   0.4437 2.507000 0.8874000 
1 1 1   22    9    7 o   29.310   0.4693 0.4209000 0.9385000 
1 1 1   22    9    8 o   19.260   0.6334 -1.450000 1.267000 
1 1 1   22    9    9 o   20.440   0.5890 -0.2861000 1.178000 
1 1 1   22    9   10 o   44.940   0.4595 1.467000 0.9190000 
1 1 1   22    9   11 o   37.320   0.4552 -4.539000 0.9105000 
1 1 1   22    9   12 o   28.630   0.5345 4.145000 1.069000 
1 1 1   22    9   13 o   12.460   1.3740 -11.14000 2.747000 
1 1 1   22    9   14 o   27.530   0.5337 -2.495000 1.067000 
1 1 1   22    9   15 o   41.640   0.4879 0.9827000 0.9758000 
1 1 1   22    9   16 o   6.9480   1.7020 -0.2478000 3.404000 
1 1 1   22    9   17 o   15.820   0.8815 1.440000 1.763000 
1 1 1   22    9   18 o   36.240   0.5078 -0.3382000 1.016000 
1 1 1   22    9   19 o   33.770   0.5315 -1.502000 1.063000 
1 1 1   22    9   20 o   28.670   0.6940 2.466000 1.388000 
1 1 1   22    9   21 o   34.280   0.5528 2.507000 1.106000 
1 1 1   22    9   22 o   16.210   1.0010 2.284000 2.001000 
1 1 1   22    9   23 o   16.990   1.1560 -1.543000 2.313000 
1 1 1   22    9   24 o   32.940   0.6025 -1.678000 1.205000 
1 1 1   22    9   25 o   33.160   0.6194 -2.108000 1.239000 
1 1 1   22    9   26 o   15.840   1.2890 -1.108000 2.578000 
1 1 1   22    9   27 o   9.8990   1.8290 -6.358000 3.658000 
1 1 1   22    9   28 o   10.040   1.7390 -2.427000 3.478000 
1 1 1   22    9   29 o   10.050   1.6210 6.209000 3.241000 
1 1 1   22    9   30 o   7.0940   1.5390 5.976000 3.079000 
1 1 1   22    9   31 o   17.360   1.0580 -1.152000 2.116000 
1 1 1   22    9   32 o   7.8870   1.7050 1.430000 3.411000 
1 1 1   22   10    0 o   87.760   0.9467 -0.000000 0.000000 
1 1 1   22   10    1 o   18.280   0.6276 -3.449000 1.255000 
1 1 1   22   10    2 o   20.050   0.5983 4.620000 1.197000 
1 1 1   22   10    3 o   9.6110   1.3510 -1.827000 2.703000 
1 1 1   22   10    4 f   18.470   0.7078 -2.804000 1.416000 
1 1 1   22   10    5 o   21.520   0.6316 -3.009000 1.263000 
1 1 1   22   10    6 o   26.730   0.5204 4.165000 1.041000 
1 1 1   22   10    7 o   35.360   0.4669 -2.744000 0.9338000 
1 1 1   22   10    8 f   50.590   0.4901 0.1239000 0.9801000 
1 1 1   22   10    9 o   12.680   1.0190 5.312000 2.037000 
1 1 1   22   10   10 o   31.430   0.4874 1.942000 0.9749000 
1 1 1   22   10   11 o   29.080   0.5082 0.9128000 1.016000 
1 1 1   22   10   12 o   29.660   0.5066 1.604000 1.013000 
1 1 1   22   10   13 o   53.300   0.5056 0.1707000 1.011000 
1 1 1   22   10   14 f   43.480   0.4805 0.6001000 0.9610000 
1 1 1   22   10   15 o   26.240   0.5796 -1.990000 1.159000 
1 1 1   22   10   16 o   31.390   0.5855 1.421000 1.171000 
1 1 1   22   10   17 o   38.670   0.5013 2.129000 1.003000 
1 1 1   22   10   18 o   25.730   0.7266 0.6328000 1.453000 
1 1 1   22   10   19 o   9.5760   1.5640 -3.808000 3.128000 
1 1 1   22   10   20 o   51.180   0.5328 -1.855000 1.066000 
1 1 1   22   10   21 o   26.530   0.6466 2.134000 1.293000 
1 1 1   22   10   22 o   33.670   0.5803 -0.3528000 1.161000 
1 1 1   22   10   23 o   26.740   0.6834 0.2478000E-01 1.367000 
1 1 1   22   10   24 o   25.380   0.8308 7.433000 1.662000 
1 1 1   22   10   25 o   25.150   0.7517 -0.3011000 1.503000 
1 1 1   22   10   26 o   10.670   1.6880 0.8339000E-02 3.377000 
1 1 1   22   10   27 o   15.740   1.1610 3.109000 2.323000 
1 1 1   22   10   28 o   8.3990   1.8730 0.9583000 3.746000 
1 1 1   22   10   29 o   10.450   1.6560 1.153000 3.313000 
1 1 1   22   10   30 o   12.720   1.5320 -3.232000 3.065000 
1 1 1   22   10   31 o   9.5040   1.7120 -6.583000 3.425000 
1 1 1   22   10   32 o   8.1290   1.7290 -0.5924000 3.458000 
1 1 1   22   11    0 o   37.350   0.6176 -0.000000 0.000000 
1 1 1   22   11    1 o   12.790   0.9454 0.1259000 1.891000 
1 1 1   22   11    2 o   50.110   0.4598 2.470000 0.9195000 
1 1 1   22   11    3 o   19.320   0.6418 -0.2930000 1.284000 
1 1 1   22   11    4 o   16.880   0.7282 -0.1251000 1.456000 
1 1 1   22   11    5 o   34.310   0.4953 4.442000 0.9907000 
1 1 1   22   11    6 o   33.010   0.5096 -2.378000 1.019000 
1 1 1   22   11    7 o   35.090   0.5003 0.1846000 1.001000 
1 1 1   22   11    8 o   34.010   0.5062 -2.214000 1.012000 
1 1 1   22   11    9 o   52.470   0.5120 1.184000 1.024000 
1 1 1   22   11   10 o   18.220   0.7972 -0.4938000 1.594000 
1 1 1   22   11   11 o   32.780   0.5160 0.6447000 1.032000 
1 1 1   22   11   12 o   43.480   0.4925 0.6198000 0.9850000 
1 1 1   22   11   13 o   9.6240   1.3720 8.151000 2.744000 
1 1 1   22   11   14 o   48.110   0.5073 1.992000 1.015000 
1 1 1   22   11   15 o   15.240   1.0010 4.462000 2.002000 
1 1 1   22   11   16 o   34.220   0.5473 3.406000 1.095000 
1 1 1   22   11   17 o   14.360   1.1120 -0.4519000 2.225000 
1 1 1   22   11   18 o   44.480   0.5300 -0.1883000 1.060000 
1 1 1   22   11   19 f   10.730   1.5940 1.352000 3.188000 
1 1 1   22   11   20 o   31.420   0.6120 1.829000 1.224000 
1 1 1   22   11   21 o   33.610   0.6025 -3.643000 1.205000 
1 1 1   22   11   22 o   18.120   0.9977 0.7030000 1.995000 
1 1 1   22   11   23 o   30.300   0.6743 -1.379000 1.349000 
1 1 1   22   11   24 o   26.620   0.7635 -2.694000 1.527000 
1 1 1   22   11   25 o   11.770   1.6710 -5.958000 3.343000 
1 1 1   22   11   26 o   19.540   1.0180 4.182000 2.035000 
1 1 1   22   11   27 o   19.140   1.0270 0.2137000E-01 2.053000 
1 1 1   22   11   28 o   8.6230   1.9100 2.671000 3.819000 
1 1 1   22   11   29 o   12.840   1.4770 -0.9414000 2.953000 
1 1 1   22   11   30 o   8.8170   1.8300 2.354000 3.660000 
1 1 1   22   11   31 o   4.9530   1.5880 0.8412000 3.177000 
1 1 1   22   12    0 o   37.030   0.6573 -0.000000 0.000000 
1 1 1   22   12    1 o   26.290   0.5509 -4.201000 1.102000 
1 1 1   22   12    2 f   37.860   0.4652 -0.3125000 0.9304000 
1 1 1   22   12    3 o   8.2480   1.5400 -0.6601000 3.079000 
1 1 1   22   12    4 o   10.560   1.3100 -2.373000 2.620000 
1 1 1   22   12    5 o   25.090   0.5740 -0.9776000 1.148000 
1 1 1   22   12    6 o   25.750   0.5732 -0.2783000E-01 1.146000 
1 1 1   22   12    7 o   9.2750   1.5730 3.275000 3.147000 
1 1 1   22   12    8 o   10.250   1.4830 -3.040000 2.966000 
1 1 1   22   12    9 o   46.440   0.5085 -1.102000 1.017000 
1 1 1   22   12   10 o   25.900   0.6443 -1.566000 1.289000 
1 1 1   22   12   11 o   25.220   0.6510 1.571000 1.302000 
1 1 1   22   12   12 o   15.300   1.0190 0.4379000 2.037000 
1 1 1   22   12   13 o   30.300   0.5851 4.062000 1.170000 
1 1 1   22   12   14 o   11.260   1.4620 3.991000 2.924000 
1 1 1   22   12   15 o   23.270   0.7438 0.9029000 1.488000 
1 1 1   22   12   16 o   30.420   0.6236 -1.713000 1.247000 
1 1 1   22   12   17 o   25.860   0.7090 3.518000 1.418000 
1 1 1   22   12   18 o   22.090   0.8164 3.913000 1.633000 
1 1 1   22   12   19 o   43.660   0.5696 -0.9194000 1.139000 
1 1 1   22   12   20 o   9.3390   1.8490 -1.954000 3.698000 
1 1 1   22   12   21 o   16.070   1.2240 4.797000 2.447000 
1 1 1   22   12   22 f   20.910   0.9591 0.5816000E-01 1.918000 
1 1 1   22   12   23 o   9.3460   1.8800 4.589000 3.760000 
1 1 1   22   12   24 o   13.780   1.5400 -2.510000 3.081000 
1 1 1   22   12   25 o   17.390   1.2040 1.468000 2.408000 
1 1 1   22   12   26 o   7.4900   1.8980 3.771000 3.797000 
1 1 1   22   12   27 o   8.4090   1.9860 2.186000 3.971000 
1 1 1   22   12   28 o   13.240   1.5400 1.972000 3.081000 
1 1 1   22   12   29 o   8.2100   1.9400 0.3382000 3.879000 
1 1 1   22   12   30 o   11.100   1.6930 2.107000 3.385000 
1 1 1   22   13    0 o   4.9080   2.1500 -0.000000 0.000000 
1 1 1   22   13    1 o   22.490   0.6617 1.059000 1.323000 
1 1 1   22   13    2 o   24.700   0.6288 1.678000 1.258000 
1 1 1   22   13    3 o   20.480   0.7244 -1.183000 1.449000 
1 1 1   22   13    4 o   23.970   0.6400 1.778000 1.280000 
1 1 1   22   13    5 o   6.9750   1.5310 -4.491000 3.062000 
1 1 1   22   13    6 o   18.740   0.7941 -0.1747000 1.588000 
1 1 1   22   13    7 o   19.130   0.8094 3.813000 1.619000 
1 1 1   22   13    8 o   57.910   0.5183 -0.3192000 1.037000 
1 1 1   22   13    9 o   45.200   0.5338 2.255000 1.068000 
1 1 1   22   13   10 o   29.910   0.6213 -2.798000 1.243000 
1 1 1   22   13   11 o   21.930   0.7946 4.927000 1.589000 
1 1 1   22   13   12 o   11.750   1.5100 0.3307000 3.019000 
1 1 1   22   13   13 o   16.130   1.0860 -1.010000 2.173000 
1 1 1   22   13   14 o   20.020   0.8759 1.259000 1.752000 
1 1 1   22   13   15 o   17.260   1.1310 2.904000 2.262000 
1 1 1   22   13   16 o   30.560   0.6707 -3.265000 1.341000 
1 1 1   22   13   17 o   54.890   0.5813 -0.1381000 1.163000 
1 1 1   22   13   18 o   18.870   1.0270 3.691000 2.054000 
1 1 1   22   13   19 o   23.200   0.8851 2.433000 1.770000 
1 1 1   22   13   20 o   23.420   0.9037 -0.9973000 1.807000 
1 1 1   22   13   21 o   21.570   0.9815 -1.226000 1.963000 
1 1 1   22   13   22 o   28.390   0.7848 0.3049000 1.570000 
1 1 1   22   13   23 o   19.290   1.1380 -1.837000 2.276000 
1 1 1   22   13   24 o   13.350   1.6730 -1.163000 3.346000 
1 1 1   22   13   25 o   7.0690   1.9700 -1.149000 3.940000 
1 1 1   22   13   26 o   12.230   1.7710 1.324000 3.541000 
1 1 1   22   13   27 o   6.4050   1.7580 -4.086000 3.516000 
1 1 1   22   13   28 o   14.560   1.4330 2.063000 2.866000 
1 1 1   22   13   29 o   9.3380   1.9580 1.680000 3.917000 
1 1 1   22   14    0 o   8.2820   2.4900 -0.000000 0.000000 
1 1 1   22   14    1 o   38.420   0.5212 2.811000 1.042000 
1 1 1   22   14    2 o   6.8050   1.7530 0.7309000 3.505000 
1 1 1   22   14    3 o   20.470   0.7895 0.8977000 1.579000 
1 1 1   22   14    4 o   29.490   0.5980 -0.1858000 1.196000 
1 1 1   22   14    5 o   42.390   0.5140 0.4158000 1.028000 
1 1 1   22   14    6 o   14.240   1.2540 -3.346000 2.508000 
1 1 1   22   14    7 o   42.710   0.5639 -0.7752000E-01 1.128000 
1 1 1   22   14    8 o   8.7100   1.7670 -1.037000 3.535000 
1 1 1   22   14    9 o   35.020   0.5503 -4.666000 1.101000 
1 1 1   22   14   10 o   13.760   1.2160 1.098000 2.433000 
1 1 1   22   14   11 o   13.590   1.3650 0.7195000 2.730000 
1 1 1   22   14   12 o   19.520   0.9830 -2.622000 1.966000 
1 1 1   22   14   13 o   20.980   0.9184 -1.857000 1.837000 
1 1 1   22   14   14 o   42.200   0.5909 4.070000 1.182000 
1 1 1   22   14   15 o   30.050   0.7096 -2.158000 1.419000 
1 1 1   22   14   16 o   34.470   0.6553 -2.022000 1.311000 
1 1 1   22   14   17 o   15.190   1.3610 -0.4910000 2.722000 
1 1 1   22   14   18 o   25.980   0.8320 1.281000 1.664000 
1 1 1   22   14   19 o   21.420   1.0270 -0.4091000 2.053000 
1 1 1   22   14   20 o   7.9600   2.0430 2.203000 4.085000 
1 1 1   22   14   21 o   18.610   1.1980 0.6043000 2.396000 
1 1 1   22   14   22 o   8.4480   2.0970 1.401000 4.194000 
1 1 1   22   14   23 o   13.470   1.7210 1.232000 3.443000 
1 1 1   22   14   24 o   9.3940   2.0630 2.690000 4.127000 
1 1 1   22   14   25 o   7.2210   2.0100 0.9439000 4.020000 
1 1 1   22   14   26 o   9.0560   1.8820 5.469000 3.764000 
1 1 1   22   14   27 o   16.940   1.2300 2.944000 2.460000 
1 1 1   22   14   28 o   8.4330   1.9940 -0.1933000 3.987000 
1 1 1   22   14   29 o   11.550   3.9880      ?      ? 
1 1 1   22   15    0 o   20.290   1.2310 -0.000000 0.000000 
1 1 1   22   15    1 o   31.720   0.6041 2.011000 1.208000 
1 1 1   22   15    2 o   18.390   0.9450 0.9610000 1.890000 
1 1 1   22   15    3 o   12.180   1.4810 -1.769000 2.962000 
1 1 1   22   15    4 o   22.940   0.7758 0.7915000 1.552000 
1 1 1   22   15    5 o   36.900   0.5554 -0.8866000 1.111000 
1 1 1   22   15    6 o   16.430   1.1720 2.623000 2.344000 
1 1 1   22   15    7 f   23.720   0.7662 0.7860000 1.532000 
1 1 1   22   15    8 o   33.610   0.6481 0.1629000E-01 1.296000 
1 1 1   22   15    9 o   41.830   0.5492 1.059000 1.098000 
1 1 1   22   15   10 o   22.770   0.8168 -2.413000 1.634000 
1 1 1   22   15   11 o   8.1720   1.7750 -4.012000 3.551000 
1 1 1   22   15   12 o   12.760   1.5540 6.325000 3.109000 
1 1 1   22   15   13 o   7.0570   1.9170 -1.475000 3.833000 
1 1 1   22   15   14 o   21.910   0.9704 -0.8175000 1.941000 
1 1 1   22   15   15 o   21.300   0.9885 -0.6975000 1.977000 
1 1 1   22   15   16 o   7.5010   1.9930 2.127000 3.986000 
1 1 1   22   15   17 o   11.080   1.9410 1.332000 3.881000 
1 1 1   22   15   18 o   6.3030   1.9060 1.649000 3.813000 
1 1 1   22   15   19 o   14.640   1.5900 0.7015000 3.179000 
1 1 1   22   15   20 o   21.480   1.0980 0.5316000 2.197000 
1 1 1   22   15   21 o   8.9140   2.1350 -0.1562000 4.270000 
1 1 1   22   15   22 o   7.9850   2.0950 0.6731000 4.190000 
1 1 1   22   15   23 o   11.550   1.9430 -2.643000 3.887000 
1 1 1   22   15   24 o   8.0400   2.0200 3.512000 4.041000 
1 1 1   22   15   25 o   7.3560   1.9920 2.320000 3.984000 
1 1 1   22   15   26 o   10.760   1.9320 4.102000 3.864000 
1 1 1   22   15   27 o   6.8580   1.9590 0.3400000 3.918000 
1 1 1   22   16    0 o   7.3210   2.6980 -0.000000 0.000000 
1 1 1   22   16    1 o   9.5520   1.7590 -3.923000 3.517000 
1 1 1   22   16    2 o   8.2580   1.8910 1.973000 3.781000 
1 1 1   22   16    3 o   20.810   0.9140 -1.078000 1.828000 
1 1 1   22   16    4 o   35.370   0.6053 -0.4629000 1.211000 
1 1 1   22   16    5 o   48.790   0.5485 1.324000 1.097000 
1 1 1   22   16    6 o   12.030   1.7320 3.793000 3.464000 
1 1 1   22   16    7 o   52.620   0.5515 0.9067000E-01 1.103000 
1 1 1   22   16    8 o   30.610   0.6799 0.7499000 1.360000 
1 1 1   22   16    9 o   34.400   0.6342 1.712000 1.268000 
1 1 1   22   16   10 o   13.270   1.7150 -7.536000 3.430000 
1 1 1   22   16   11 o   11.990   1.7110 1.342000 3.423000 
1 1 1   22   16   12 o   18.250   1.1410 4.939000 2.282000 
1 1 1   22   16   13 o   13.850   1.4900 -1.633000 2.980000 
1 1 1   22   16   14 o   6.8070   1.9770 0.2557000 3.954000 
1 1 1   22   16   15 f   17.530   1.2970 3.234000 2.594000 
1 1 1   22   16   16 f   8.6200   2.0640 3.706000 4.128000 
1 1 1   22   16   17 o   20.840   1.1410 2.041000 2.282000 
1 1 1   22   16   18 o   24.530   0.9840 1.234000 1.968000 
1 1 1   22   16   19 f   17.060   1.4430 -2.971000 2.886000 
1 1 1   22   16   20 o   7.4880   2.0820 -0.6867000 4.164000 
1 1 1   22   16   21 o   16.890   1.6110 -8.618000 3.222000 
1 1 1   22   16   22 f   14.240   1.7120 -1.901000 3.425000 
1 1 1   22   16   23 o   12.830   1.8930 -8.900000 3.786000 
1 1 1   22   16   24 o   9.4190   2.0720 2.938000 4.145000 
1 1 1   22   16   25 o   6.8490   1.9830 -0.5769000 3.966000 
1 1 1   22   16   26 o   6.6950   1.9320 -1.445000 3.863000 
1 1 1   22   17    0 o   22.060   1.3020 -0.000000 0.000000 
1 1 1   22   17    1 f   31.800   0.6821 -1.198000 1.364000 
1 1 1   22   17    2 o   30.860   0.7050 1.669000 1.410000 
1 1 1   22   17    3 o   27.700   0.7627 1.661000 1.525000 
1 1 1   22   17    4 o   18.190   1.1380 -5.490000 2.275000 
1 1 1   22   17    5 o   36.520   0.6336 -1.651000 1.267000 
1 1 1   22   17    6 o   8.8650   2.0090 -1.288000 4.018000 
1 1 1   22   17    7 o   20.800   1.0190 -2.196000 2.038000 
1 1 1   22   17    8 o   18.270   1.1500 -0.3756000 2.301000 
1 1 1   22   17    9 o   32.860   0.6903 -0.4655000 1.381000 
1 1 1   22   17   10 o   15.060   1.4260 2.804000 2.853000 
1 1 1   22   17   11 o   10.810   1.8830 -3.279000 3.767000 
1 1 1   22   17   12 o   8.0190   2.0370 -0.5345000 4.075000 
1 1 1   22   17   13 o   22.530   0.9599 -1.074000 1.920000 
1 1 1   22   17   14 o   15.260   1.4800 2.788000 2.959000 
1 1 1   22   17   15 o   7.8530   2.0690 -2.945000 4.138000 
1 1 1   22   17   16 o   7.5240   2.1070 2.075000 4.214000 
1 1 1   22   17   17 o   11.560   2.0390 -3.041000 4.077000 
1 1 1   22   17   18 o   11.270   2.0730 1.706000 4.146000 
1 1 1   22   17   19 o   6.3270   1.9370 -1.041000 3.874000 
1 1 1   22   17   20 o   6.1280   1.9210 0.1870000 3.842000 
1 1 1   22   17   21 o   8.3900   1.9480 6.125000 3.897000 
1 1 1   22   17   22 o   18.370   1.2770 0.1228000 2.554000 
1 1 1   22   17   23 o   6.7270   1.9000 4.664000 3.801000 
1 1 1   22   17   24 o   6.1700   1.9100 1.505000 3.820000 
1 1 1   22   17   25 o   7.9120   2.0410 -1.606000 4.081000 
1 1 1   22   18    0 o   5.6040   2.5270 -0.000000 0.000000 
1 1 1   22   18    1 o   11.030   1.9220 0.1286000 3.844000 
1 1 1   22   18    2 o   24.450   0.9074 0.6559000 1.815000 
1 1 1   22   18    3 o   16.620   1.2950 -1.113000 2.591000 
1 1 1   22   18    4 o   22.320   0.9750 2.428000 1.950000 
1 1 1   22   18    5 f   6.8710   1.9130 -2.945000 3.826000 
1 1 1   22   18    6 o   21.950   1.0070 -0.6957000 2.014000 
1 1 1   22   18    7 o   18.850   1.1790 2.749000 2.358000 
1 1 1   22   18    8 o   10.140   1.9090 -5.498000 3.819000 
1 1 1   22   18    9 o   30.660   0.7707 -2.122000 1.541000 
1 1 1   22   18   10 o   26.990   0.8670 -2.100000 1.734000 
1 1 1   22   18   11 f   14.100   1.7000 5.304000 3.400000 
1 1 1   22   18   12 o   17.870   1.3050 -3.652000 2.610000 
1 1 1   22   18   13 o   10.400   1.8990 6.127000 3.798000 
1 1 1   22   18   14 o   11.450   1.9800 1.998000 3.961000 
1 1 1   22   18   15 o   9.3910   2.1100 -1.430000 4.221000 
1 1 1   22   18   16 o   17.960   1.2800 -2.483000 2.560000 
1 1 1   22   18   17 f   11.340   2.0720 -1.257000 4.143000 
1 1 1   22   18   18 o   16.440   1.4600 2.540000 2.919000 
1 1 1   22   18   19 o   11.920   1.9090 6.755000 3.819000 
1 1 1   22   18   20 o   13.060   1.8530 3.629000 3.707000 
1 1 1   22   18   21 o   10.920   2.0010 5.306000 4.002000 
1 1 1   22   18   22 o   7.5390   2.0940 0.8954000 4.189000 
1 1 1   22   18   23 o   8.0950   2.1080 1.486000 4.216000 
1 1 1   22   19    0 o   8.5830   3.0400 -0.000000 0.000000 
1 1 1   22   19    1 o   10.630   2.0560 1.493000 4.111000 
1 1 1   22   19    2 o   10.600   2.0460 2.803000 4.092000 
1 1 1   22   19    3 o   14.480   1.6470 -1.280000 3.293000 
1 1 1   22   19    4 o   6.0470   1.8940 0.1781000 3.789000 
1 1 1   22   19    5 o   19.480   1.2140 -1.348000 2.427000 
1 1 1   22   19    6 o   17.200   1.4010 -0.9744000 2.803000 
1 1 1   22   19    7 o   7.8560   2.1150 1.816000 4.230000 
1 1 1   22   19    8 o   10.830   2.0430 -3.275000 4.085000 
1 1 1   22   19    9 o   12.490   1.9390 0.5949000E-01 3.878000 
1 1 1   22   19   10 o   9.9920   1.9890 5.469000 3.977000 
1 1 1   22   19   11 o   13.360   1.8160 -4.636000 3.632000 
1 1 1   22   19   12 o   13.450   1.7910 3.188000 3.582000 
1 1 1   22   19   13 o   7.5710   2.0660 1.705000 4.132000 
1 1 1   22   19   14 o   10.620   2.0740 2.286000 4.147000 
1 1 1   22   19   15 o   5.6530   1.8010 2.264000 3.601000 
1 1 1   22   19   16 o   8.2010   2.0820 -1.916000 4.163000 
1 1 1   22   19   17 o   11.070   1.9850 0.8606000 3.970000 
1 1 1   22   19   18 o   6.9320   2.0430 -0.6039000E-01 4.087000 
1 1 1   22   19   19 o   9.9340   2.1340 -1.600000 4.267000 
1 1 1   22   19   20 o   9.0690   2.1070 4.345000 4.213000 
1 1 1   22   19   21 o   6.0250   1.8940 -0.3435000 3.788000 
1 1 1   22   19   22 o   6.2540   1.8930 3.418000 3.786000 
1 1 1   22   20    0 o   10.270   3.0870 -0.000000 0.000000 
1 1 1   22   20    1 o   17.400   1.4460 -0.3117000 2.891000 
1 1 1   22   20    2 o   12.290   2.0230 0.8266000 4.047000 
1 1 1   22   20    3 o   9.0810   2.1990 -0.6910000 4.398000 
1 1 1   22   20    4 o   8.1050   2.1200 2.852000 4.240000 
1 1 1   22   20    5 o   14.150   1.7790 -1.270000 3.558000 
1 1 1   22   20    6 o   12.850   1.9450 3.332000 3.889000 
1 1 1   22   20    7 o   11.640   2.0330 3.955000 4.066000 
1 1 1   22   20    8 o   11.580   2.0600 -1.029000 4.120000 
1 1 1   22   20    9 f   10.580   2.1560 0.9493000 4.312000 
1 1 1   22   20   10 o   7.3310   2.0290 -3.218000 4.057000 
1 1 1   22   20   11 o   9.6950   2.1530 -2.492000 4.306000 
1 1 1   22   20   12 o   16.910   1.4060 2.057000 2.812000 
1 1 1   22   20   13 o   7.4420   2.0450 -1.523000 4.090000 
1 1 1   22   20   14 o   6.9010   1.9550 -2.440000 3.910000 
1 1 1   22   20   15 o   6.9140   1.9440 3.411000 3.887000 
1 1 1   22   20   16 o   9.8650   2.0900 0.7639000 4.180000 
1 1 1   22   20   17 o   7.8600   2.0410 2.046000 4.082000 
1 1 1   22   20   18 o   6.9770   1.9560 -2.237000 3.912000 
1 1 1   22   20   19 f   9.6420   2.0050 6.185000 4.010000 
1 1 1   22   20   20 o   6.5320   1.9870 1.162000 3.974000 
1 1 1   22   21    0 o   17.500   2.0550 -0.000000 0.000000 
1 1 1   22   21    1 o   15.490   1.6300 -1.059000 3.259000 
1 1 1   22   21    2 o   12.590   2.0090 -3.969000 4.018000 
1 1 1   22   21    3 o   18.450   1.3920 3.579000 2.784000 
1 1 1   22   21    4 o   11.920   2.0870 0.3904000 4.174000 
1 1 1   22   21    5 o   13.710   1.8750 -5.820000 3.750000 
1 1 1   22   21    6 o   10.360   2.1600 3.074000 4.321000 
1 1 1   22   21    7 o   8.3730   2.2030 -0.5825000 4.406000 
1 1 1   22   21    8 o   11.660   2.0770 -1.446000 4.154000 
1 1 1   22   21    9 o   11.350   2.0550 2.512000 4.110000 
1 1 1   22   21   10 f   10.730   2.1070 -0.3747000 4.214000 
1 1 1   22   21   11 o   10.840   2.1130 0.8042000E-01 4.227000 
1 1 1   22   21   12 o   7.0140   1.9440 -3.667000 3.889000 
1 1 1   22   21   13 o   8.2720   2.0950 -0.4599000 4.189000 
1 1 1   22   21   14 o   10.530   1.9050 5.610000 3.809000 
1 1 1   22   21   15 f   6.4840   1.9220 -1.910000 3.845000 
1 1 1   22   21   16 o   8.8960   2.0760 1.888000 4.151000 
1 1 1   22   21   17 o   7.6840   2.0160 0.4429000 4.031000 
1 1 1   22   21   18 f   7.1350   2.0130 0.1969000E-01 4.025000 
1 1 1   22   22    0 o   18.420   1.9410 -0.000000 0.000000 
1 1 1   22   22    1 o   12.560   1.9930 4.633000 3.986000 
1 1 1   22   22    2 o   8.9880   2.1310 4.041000 4.261000 
1 1 1   22   22    3 o   7.8230   2.1470 2.042000 4.293000 
1 1 1   22   22    4 o   12.670   1.9420 -5.267000 3.884000 
1 1 1   22   22    5 o   16.990   1.4920 -2.698000 2.985000 
1 1 1   22   22    6 o   10.510   2.1770 -0.2167000 4.355000 
1 1 1   22   22    7 o   9.3150   2.2120 1.480000 4.424000 
1 1 1   22   22    8 o   9.4010   1.9670 -6.018000 3.934000 
1 1 1   22   22    9 o   10.820   2.0700 -1.167000 4.140000 
1 1 1   22   22   10 o   8.4560   2.1460 0.1472000 4.293000 
1 1 1   22   22   11 o   8.1710   2.1180 0.2417000 4.237000 
1 1 1   22   22   12 f   11.980   1.8940 -3.145000 3.788000 
1 1 1   22   22   13 o   7.0680   1.9990 -0.7440000E-01 3.998000 
1 1 1   22   22   14 o   8.1760   1.7890 6.114000 3.578000 
1 1 1   22   22   15 o   9.0700   1.7540 7.376000 3.508000 
1 1 1   22   23    0 o   11.170   3.1000 -0.000000 0.000000 
1 1 1   22   23    1 o   11.300   2.1110 -2.624000 4.221000 
1 1 1   22   23    2 o   9.3890   2.0680 5.060000 4.136000 
1 1 1   22   23    3 o   8.0320   2.1800 0.3978000 4.360000 
1 1 1   22   23    4 o   7.1060   2.0680 2.039000 4.136000 
1 1 1   22   23    5 o   9.0550   2.0070 5.613000 4.013000 
1 1 1   22   23    6 o   5.4350   1.7760 -1.705000 3.551000 
1 1 1   22   23    7 o   5.9660   1.8780 1.894000 3.757000 
1 1 1   22   23    8 o   6.9070   2.0250 -0.5759000 4.050000 
1 1 1   22   23    9 o   8.1100   2.0590 -2.140000 4.119000 
1 1 1   22   23   10 f   7.1700   1.9610 -2.353000 3.921000 
1 1 1   22   23   11 o   7.5570   2.0230 -0.6618000 4.046000 
1 1 1   22   23   12 o   8.9560   2.3780 3.297000 4.755000 
1 1 1   22   24    0 o   5.5300   2.5600 -0.000000 0.000000 
1 1 1   22   24    1 o   6.7230   1.9850 -2.140000 3.969000 
1 1 1   22   24    2 o   8.1420   2.1300 1.660000 4.260000 
1 1 1   22   24    3 o   8.1570   1.9830 -4.735000 3.967000 
1 1 1   22   24    4 o   6.8030   2.0030 -1.596000 4.007000 
1 1 1   22   24    5 o   5.8220   1.8440 1.192000 3.688000 
1 1 1   22   24    6 o   6.7370   1.9930 0.5043000 3.987000 
1 1 1   23    0    1 o  101.500   1.0620 -0.000000 0.000000 
1 1 1   23    0    2 o  189.000   1.9690 -0.000000 0.000000 
1 1 1   23    0    3 o   46.610   0.5152 -0.000000 0.000000 
1 1 1   23    0    4 o   83.500   1.0130 -0.000000 0.000000 
1 1 1   23    0    5 o   40.590   0.5313 -0.000000 0.000000 
1 1 1   23    0    6 o  103.700   1.2520 -0.000000 0.000000 
1 1 1   23    0    7 o   58.310   0.7202 -0.000000 0.000000 
1 1 1   23    0    8 o   44.800   0.5754 -0.000000 0.000000 
1 1 1   23    0    9 o   59.750   0.7375 -0.000000 0.000000 
1 1 1   23    0   11 o   39.300   0.6489 -0.000000 0.000000 
1 1 1   23    0   12 o   55.300   0.8458 -0.000000 0.000000 
1 1 1   23    0   13 o   44.140   0.7047 -0.000000 0.000000 
1 1 1   23    0   14 o   8.0650   1.1140 -0.000000 0.000000 
1 1 1   23    0   16 o   6.9690   1.3140 -0.000000 0.000000 
1 1 1   23    0   17 o   34.670   0.6256 -0.000000 0.000000 
1 1 1   23    0   18 o   29.760   0.5827 -0.000000 0.000000 
1 1 1   23    0   19 o   60.620   0.9671 -0.000000 0.000000 
1 1 1   23    0   20 o   23.440   1.2580 -0.000000 0.000000 
1 1 1   23    0   21 o   17.500   1.6360 -0.000000 0.000000 
1 1 1   23    0   22 f   3.9220   1.9320 -0.000000 0.000000 
1 1 1   23    0   23 o   9.4730   2.8620 -0.000000 0.000000 
1 1 1   23    0   24 o   25.400   1.4470 -0.000000 0.000000 
1 1 1   23    0   25 o   42.170   1.2500 -0.000000 0.000000 
1 1 1   23    0   26 o   15.750   2.4610 -0.000000 0.000000 
1 1 1   23    0   27 o   27.950   1.6060 -0.000000 0.000000 
1 1 1   23    0   28 o   10.840   3.5210 -0.000000 0.000000 
1 1 1   23    0   29 o   8.1280   3.3570 -0.000000 0.000000 
1 1 1   23    0   30 o   32.320   1.5500 -0.000000 0.000000 
1 1 1   23    0   31 o   10.880   3.5300 -0.000000 0.000000 
1 1 1   23    0   32 o   5.9380   2.8330 -0.000000 0.000000 
1 1 1   23    0   33 o   8.2160   3.3940 -0.000000 0.000000 
1 1 1   23    0   34 o   12.120   3.4410 -0.000000 0.000000 
1 1 1   23    0   35 f   6.6630   3.0540 -0.000000 0.000000 
1 1 1   23    1    0 o  113.600   1.6800 -0.000000 0.000000 
1 1 1   23    1    1 o  165.200   1.7250 -21.07000 3.450000 
1 1 1   23    1    2 o   44.480   0.4972 5.151000 0.9945000 
1 1 1   23    1    3 o   63.260   0.6740 -3.111000 1.348000 
1 1 1   23    1    4 o   29.460   0.3991 8.094000 0.7981000 
1 1 1   23    1    5 o   93.140   0.9769 3.273000 1.954000 
1 1 1   23    1    6 o   72.710   0.7712 11.43000 1.542000 
1 1 1   23    1    7 o   92.420   0.9695 1.312000 1.939000 
1 1 1   23    1    8 o   30.310   0.4035 6.288000 0.8070000 
1 1 1   23    1    9 o   19.380   0.4196 -4.918000 0.8392000 
1 1 1   23    1   10 o  109.500   1.0370 10.50000 2.075000 
1 1 1   23    1   11 o   10.380   0.6311 1.769000 1.262000 
1 1 1   23    1   12 o   20.710   0.3859 5.217000 0.7718000 
1 1 1   23    1   13 o   23.890   0.3546 3.349000 0.7091000 
1 1 1   23    1   14 o   34.360   0.3889 1.640000 0.7777000 
1 1 1   23    1   15 o   59.810   0.5916 -0.6728000 1.183000 
1 1 1   23    1   16 o   35.300   0.4867 -0.7432000 0.9734000 
1 1 1   23    1   17 o   10.910   0.5890 1.020000 1.178000 
1 1 1   23    1   18 o   60.350   0.5766 -4.239000 1.153000 
1 1 1   23    1   19 o   6.8580   1.0440 -2.482000 2.088000 
1 1 1   23    1   20 o   64.030   0.7007 -1.129000 1.401000 
1 1 1   23    1   21 o   54.460   0.6201 -2.305000 1.240000 
1 1 1   23    1   22 o   23.470   0.6772 -2.473000 1.354000 
1 1 1   23    1   23 o   45.230   0.8384 -1.460000 1.677000 
1 1 1   23    1   24 o   30.990   0.8914 -0.4075000 1.783000 
1 1 1   23    1   25 o   22.400   1.1230 0.7680000 2.246000 
1 1 1   23    1   26 o   11.710   2.2350 0.2302000 4.470000 
1 1 1   23    1   27 o   9.5560   2.3240 3.113000 4.649000 
1 1 1   23    1   28 o   32.500   1.1010 1.508000 2.201000 
1 1 1   23    1   29 o   20.040   1.6550 4.265000 3.310000 
1 1 1   23    1   30 o   11.280   2.5200 0.4798000 5.040000 
1 1 1   23    1   31 o   12.650   2.2470 8.225000 4.494000 
1 1 1   23    1   32 o   11.050   2.5490 0.8250000 5.097000 
1 1 1   23    1   33 o   20.850   1.6470 -2.644000 3.294000 
1 1 1   23    1   34 o   7.7360   2.2970 -1.332000 4.593000 
1 1 1   23    1   35 o   10.710   2.4730 -2.580000 4.946000 
1 1 1   23    2    0 o   87.040   1.2940 -0.000000 0.000000 
1 1 1   23    2    1 o   41.590   0.4756 5.847000 0.9512000 
1 1 1   23    2    2 o   58.150   0.6265 5.812000 1.253000 
1 1 1   23    2    3 o  147.300   1.5360 5.590000 3.072000 
1 1 1   23    2    4 o   23.990   0.4030 -8.692000 0.8060000 
1 1 1   23    2    5 o   57.790   0.6231 6.892000 1.246000 
1 1 1   23    2    6 o   91.460   0.9603 3.306000 1.921000 
1 1 1   23    2    7 o  111.100   1.1630 3.714000 2.325000 
1 1 1   23    2    8 o   82.780   0.8719 0.4215000 1.744000 
1 1 1   23    2    9 f  106.200   1.1120 1.879000 2.224000 
1 1 1   23    2   10 o   46.300   0.5215 -2.890000 1.043000 
1 1 1   23    2   11 o   54.830   0.5979 3.174000 1.196000 
1 1 1   23    2   12 o   72.660   0.7717 2.960000 1.543000 
1 1 1   23    2   13 o   39.740   0.4745 3.393000 0.9490000 
1 1 1   23    2   14 o   11.100   0.7226 -0.4322000 1.445000 
1 1 1   23    2   16 o   38.830   0.4830 3.594000 0.9659000 
1 1 1   23    2   17 o   49.330   0.5104 -1.930000 1.021000 
1 1 1   23    2   18 o   9.0990   0.8897 0.8004000 1.779000 
1 1 1   23    2   19 o   28.170   0.3959 1.577000 0.7919000 
1 1 1   23    2   20 o   8.1470   0.9761 0.6261000 1.952000 
1 1 1   23    2   21 o   51.720   0.5920 3.833000 1.184000 
1 1 1   23    2   22 o   18.330   0.5688 1.190000 1.138000 
1 1 1   23    2   23 o   71.670   0.9454 1.939000 1.891000 
1 1 1   23    2   24 o   41.450   0.7504      ?      ? 
1 1 1   23    2   25 o   27.100   0.6767      ?      ? 
1 1 1   23    2   26 o   8.2980   1.8060 -2.849000 3.612000 
1 1 1   23    2   27 o   22.250   1.1070 5.096000 2.213000 
1 1 1   23    2   28 o   18.810   1.1920 -1.052000 2.383000 
1 1 1   23    2   29 o   19.160   1.7080 2.411000 3.416000 
1 1 1   23    2   30 o   11.340   2.3780 5.219000 4.756000 
1 1 1   23    2   31 o   25.260   1.3570 -3.293000 2.715000 
1 1 1   23    2   32 o   13.020   2.4390 1.941000 4.878000 
1 1 1   23    2   33 o  10.0000   2.5590 1.593000 5.118000 
1 1 1   23    2   34 o   8.5980   2.3790 -3.351000 4.758000 
1 1 1   23    2   35 o   8.5760   2.4100 1.293000 4.821000 
1 1 1   23    3    0 o   36.050   0.6369 -0.000000 0.000000 
1 1 1   23    3    1 o  141.300   1.4760 1.103000 2.951000 
1 1 1   23    3    2 f  167.300   1.7440 0.5544000 3.489000 
1 1 1   23    3    3 o   92.390   0.9719 8.152000 1.944000 
1 1 1   23    3    4 o   52.040   0.5719 -2.978000 1.144000 
1 1 1   23    3    5 o   29.430   0.4201 2.370000 0.8402000 
1 1 1   23    3    6 o   73.770   0.7827 -1.431000 1.565000 
1 1 1   23    3    7 o   42.300   0.4953 8.861000 0.9906000 
1 1 1   23    3    8 o   61.950   0.6678 3.316000 1.336000 
1 1 1   23    3    9 o   86.010   0.9074 -3.110000 1.815000 
1 1 1   23    3   10 o   44.500   0.5135 -3.546000 1.027000 
1 1 1   23    3   11 f   73.350   0.7808 7.400000 1.562000 
1 1 1   23    3   12 o   16.150   0.5801 3.241000 1.160000 
1 1 1   23    3   13 o   17.430   0.5406 1.163000 1.081000 
1 1 1   23    3   14 o   70.970   0.6923 -0.4517000E-02 1.385000 
1 1 1   23    3   15 o   10.350   0.8255 -0.2079000 1.651000 
1 1 1   23    3   16 o   47.160   0.4971 0.5546000 0.9941000 
1 1 1   23    3   17 o   32.020   0.4248 7.141000 0.8496000 
1 1 1   23    3   18 o   47.740   0.5071 0.7642000 1.014000 
1 1 1   23    3   19 o   41.710   0.4735 3.137000 0.9470000 
1 1 1   23    3   20 o   28.100   0.4500 -0.3759000E-01 0.9000000 
1 1 1   23    3   21 o   34.470   0.4554 -0.4382000 0.9108000 
1 1 1   23    3   22 f   8.5770   1.1900 1.536000 2.380000 
1 1 1   23    3   23 o   37.990   0.5742      ?      ? 
1 1 1   23    3   24 o   22.780   0.5406 -1.239000 1.081000 
1 1 1   23    3   25 o   54.730   0.6475 -0.9312000 1.295000 
1 1 1   23    3   26 o   9.2220   1.7180 4.365000 3.437000 
1 1 1   23    3   27 o   7.3120   3.1050      ?      ? 
1 1 1   23    3   28 o   27.790   0.8665      ?      ? 
1 1 1   23    3   29 o   24.620   0.9345      ?      ? 
1 1 1   23    3   30 o   11.800   1.7140      ?      ? 
1 1 1   23    3   31 o   11.770   1.6530      ?      ? 
1 1 1   23    3   32 o   8.3940   1.7700 3.607000 3.539000 
1 1 1   23    3   33 o   16.450   1.4570 -1.167000 2.913000 
1 1 1   23    3   34 o   8.8690   1.8990 1.702000 3.797000 
1 1 1   23    4    0 o  120.000   1.7770 -0.000000 0.000000 
1 1 1   23    4    1 o   72.510   0.7748 0.1569000 1.550000 
1 1 1   23    4    2 o   53.090   0.5904 4.556000 1.181000 
1 1 1   23    4    3 o   25.230   0.4439 1.052000 0.8878000 
1 1 1   23    4    4 o   82.170   0.8691 4.312000 1.738000 
1 1 1   23    4    5 o   14.460   0.6859 -7.564000 1.372000 
1 1 1   23    4    6 o   82.820   0.8763 -3.735000 1.753000 
1 1 1   23    4    7 o   58.740   0.6415 3.154000 1.283000 
1 1 1   23    4    8 o   49.170   0.5591 -3.904000 1.118000 
1 1 1   23    4    9 o   51.030   0.5739 -0.3317000 1.148000 
1 1 1   23    4   10 o   76.090   0.8096 -1.435000 1.619000 
1 1 1   23    4   11 f   43.810   0.5194 -0.3014000 1.039000 
1 1 1   23    4   12 o   13.480   0.6521 2.201000 1.304000 
1 1 1   23    4   13 o   54.860   0.6104 -3.670000 1.221000 
1 1 1   23    4   14 o   13.230   0.8066 -1.910000 1.613000 
1 1 1   23    4   15 o   16.010   0.6013 -2.104000 1.203000 
1 1 1   23    4   16 o   16.110   0.6536 0.8341000 1.307000 
1 1 1   23    4   17 o   21.630   0.5042 -1.122000 1.008000 
1 1 1   23    4   18 o   20.690   0.5382 -5.775000 1.076000 
1 1 1   23    4   19 o   9.2140   1.1810 0.1899000 2.362000 
1 1 1   23    4   20 o   35.690   0.4700 0.3649000 0.9400000 
1 1 1   23    4   21 o   12.420   0.8977 -5.159000 1.795000 
1 1 1   23    4   22 o   40.480   0.4974 -0.1361000 0.9947000 
1 1 1   23    4   23 o   34.770   0.4979 -0.1383000 0.9957000 
1 1 1   23    4   24 o   31.550   0.5161 -0.1369000 1.032000 
1 1 1   23    4   25 o   39.060   0.5712 1.165000 1.142000 
1 1 1   23    4   26 o   6.0470   1.6030 -1.530000 3.207000 
1 1 1   23    4   27 o   29.600   0.8402 -3.226000 1.680000 
1 1 1   23    4   28 o   8.0110   1.9800 -1.940000 3.960000 
1 1 1   23    4   29 o   30.180   1.0440 5.933000 2.088000 
1 1 1   23    4   30 o   23.050   1.2450 0.4374000 2.491000 
1 1 1   23    4   31 o   15.810   1.7940 0.2567000 3.588000 
1 1 1   23    4   32 f   19.860   1.3430 -2.931000 2.687000 
1 1 1   23    4   33 o   7.2490   2.4870      ?      ? 
1 1 1   23    4   34 o   6.7170   2.4770      ?      ? 
1 1 1   23    5    0 o  101.800   1.5140 -0.000000 0.000000 
1 1 1   23    5    1 o   75.970   0.8121 7.392000 1.624000 
1 1 1   23    5    2 o   71.720   0.7704 -5.872000 1.541000 
1 1 1   23    5    3 o   89.910   0.9501 3.267000 1.900000 
1 1 1   23    5    4 o   29.350   0.4672 4.541000 0.9343000 
1 1 1   23    5    5 o   70.740   0.7594 3.477000 1.519000 
1 1 1   23    5    6 o   57.660   0.6387 6.761000 1.277000 
1 1 1   23    5    7 o   74.860   0.7998 1.533000 1.600000 
1 1 1   23    5    8 o   34.680   0.4390 6.820000 0.8780000 
1 1 1   23    5    9 o   18.320   0.5484 -3.454000 1.097000 
1 1 1   23    5   10 o   63.410   0.6331 -1.964000 1.266000 
1 1 1   23    5   11 o   18.350   0.5427 0.1711000 1.085000 
1 1 1   23    5   12 o   18.990   0.5576 3.871000 1.115000 
1 1 1   23    5   13 o   24.530   0.5311 -2.384000 1.062000 
1 1 1   23    5   14 o   15.590   0.6845 2.388000 1.369000 
1 1 1   23    5   15 o   19.780   0.5623 0.2719000 1.125000 
1 1 1   23    5   16 o   24.170   0.5057 1.707000 1.011000 
1 1 1   23    5   17 o   19.480   0.7390      ?      ? 
1 1 1   23    5   18 o   27.440   0.4909 -6.007000 0.9818000 
1 1 1   23    5   19 o   15.170   0.9051 3.757000 1.810000 
1 1 1   23    5   20 o   17.020   0.7700 3.666000 1.540000 
1 1 1   23    5   21 o   28.760   0.5717 -1.143000 1.143000 
1 1 1   23    5   22 o   43.600   0.5298 0.3776000 1.060000 
1 1 1   23    5   23 o   23.910   0.6086 -1.863000 1.217000 
1 1 1   23    5   24 o   32.960   0.5942 -2.322000 1.188000 
1 1 1   23    5   25 o   19.760   0.8235 1.636000 1.647000 
1 1 1   23    5   26 o   32.660   0.5773 -1.767000 1.155000 
1 1 1   23    5   27 o   19.020   0.8955 -1.623000 1.791000 
1 1 1   23    5   28 o   24.420   0.7625 -0.5459000 1.525000 
1 1 1   23    5   29 o   24.700   1.1000 0.3380000 2.200000 
1 1 1   23    5   30 o   26.770   1.0580 -1.121000 2.116000 
1 1 1   23    5   31 o   14.290   1.6870 -7.053000 3.375000 
1 1 1   23    5   32 o   8.6920   1.7480 3.341000 3.497000 
1 1 1   23    5   33 o   20.270   1.3160 0.8244000 2.632000 
1 1 1   23    5   34 o   10.560   2.1590 -4.387000 4.317000 
1 1 1   23    6    0 o   39.680   0.7215 -0.000000 0.000000 
1 1 1   23    6    1 o   9.6430   1.1420 -1.678000 2.285000 
1 1 1   23    6    2 o   39.420   0.5112 -0.8398000 1.022000 
1 1 1   23    6    3 o   98.340   1.0380 6.821000 2.076000 
1 1 1   23    6    4 o   48.380   0.5706 0.6484000 1.141000 
1 1 1   23    6    5 o   22.830   0.5579 7.791000 1.116000 
1 1 1   23    6    6 o   29.040   0.4720 -10.47000 0.9440000 
1 1 1   23    6    7 o   65.880   0.6570 -1.518000 1.314000 
1 1 1   23    6    8 o   37.290   0.5151 2.100000 1.030000 
1 1 1   23    6    9 o   31.630   0.5059 -2.567000 1.012000 
1 1 1   23    6   10 o   15.880   0.6874 3.910000 1.375000 
1 1 1   23    6   11 o   17.320   0.6338 -3.425000 1.268000 
1 1 1   23    6   12 o   43.360   0.4955 3.823000 0.9909000 
1 1 1   23    6   13 o   25.590   0.5582 -0.3896000 1.116000 
1 1 1   23    6   14 f   33.390   0.4744 -0.6857000 0.9488000 
1 1 1   23    6   15 o   33.130   0.4781 0.8924000 0.9562000 
1 1 1   23    6   16 o   35.170   0.4229 -2.472000 0.8458000 
1 1 1   23    6   17 o   36.860   0.4305 1.245000 0.8610000 
1 1 1   23    6   18 o   77.100   0.6790 -1.582000 1.358000 
1 1 1   23    6   19 o   23.130   0.5115 0.4209000 1.023000 
1 1 1   23    6   20 o   24.940   0.5032 -0.7806000 1.006000 
1 1 1   23    6   21 o   26.640   0.4911 1.815000 0.9821000 
1 1 1   23    6   22 o   32.280   0.5118 0.1937000 1.024000 
1 1 1   23    6   23 o   17.950   0.6844 3.040000 1.369000 
1 1 1   23    6   24 o   24.260   0.5505 0.8750000 1.101000 
1 1 1   23    6   25 o   16.880   0.8802 -1.488000 1.760000 
1 1 1   23    6   26 o   10.010   1.3060 -0.3749000 2.613000 
1 1 1   23    6   27 o   33.540   0.5134 1.006000 1.027000 
1 1 1   23    6   28 o   18.610   0.7392 2.343000 1.478000 
1 1 1   23    6   29 o   7.4140   1.6090 0.6545000 3.218000 
1 1 1   23    6   30 o   14.520   1.0340 3.276000 2.067000 
1 1 1   23    6   31 o   8.2350   1.3590 6.395000 2.719000 
1 1 1   23    6   32 o   17.290   0.7807 -0.9430000 1.561000 
1 1 1   23    6   33 o   12.910   1.8860 4.378000 3.773000 
1 1 1   23    6   34 o   8.9700   2.1230 -5.660000 4.246000 
1 1 1   23    7    0 o   68.700   1.0600 -0.000000 0.000000 
1 1 1   23    7    1 o   54.350   0.5668 3.591000 1.134000 
1 1 1   23    7    2 o   35.850   0.4783 -4.820000 0.9565000 
1 1 1   23    7    3 o   28.480   0.4865 -0.2878000 0.9730000 
1 1 1   23    7    4 o   32.760   0.4734 0.3140000 0.9468000 
1 1 1   23    7    5 o   43.000   0.5007 2.897000 1.001000 
1 1 1   23    7    6 o   43.190   0.5031 -3.051000 1.006000 
1 1 1   23    7    7 o   30.300   0.4880 -3.536000 0.9760000 
1 1 1   23    7    8 o   53.810   0.5694 -2.113000 1.139000 
1 1 1   23    7    9 o   62.310   0.6333 -1.341000 1.267000 
1 1 1   23    7   10 o   55.890   0.5223 1.506000 1.045000 
1 1 1   23    7   11 o   45.100   0.4615 0.1388000 0.9230000 
1 1 1   23    7   12 o   34.270   0.4309 1.247000 0.8618000 
1 1 1   23    7   13 o   29.110   0.4889 1.833000 0.9777000 
1 1 1   23    7   14 o   31.580   0.4812 3.779000 0.9624000 
1 1 1   23    7   15 o   28.910   0.4583 3.251000 0.9165000 
1 1 1   23    7   16 o   23.970   0.5179 -3.515000 1.036000 
1 1 1   23    7   17 o   44.850   0.4718 0.2408000 0.9437000 
1 1 1   23    7   18 o   50.040   0.5646 -1.289000 1.129000 
1 1 1   23    7   19 o   36.900   0.4680 -0.6374000 0.9361000 
1 1 1   23    7   20 o   23.120   0.5751 2.956000 1.150000 
1 1 1   23    7   21 o   12.940   0.9764 -1.446000 1.953000 
1 1 1   23    7   22 o   32.710   0.4994 1.450000 0.9988000 
1 1 1   23    7   23 o   39.150   0.4937 -2.032000 0.9873000 
1 1 1   23    7   24 o   7.2200   1.4420 4.839000 2.884000 
1 1 1   23    7   25 o   33.250   0.5984 0.5166000 1.197000 
1 1 1   23    7   26 o   26.040   0.6228 3.419000 1.246000 
1 1 1   23    7   27 o   12.590   1.2010 -0.7299000 2.401000 
1 1 1   23    7   28 o   17.050   0.9855 1.482000 1.971000 
1 1 1   23    7   29 o   16.030   0.9119 0.8724000 1.824000 
1 1 1   23    7   30 o   24.480   0.6434 -1.290000 1.287000 
1 1 1   23    7   31 o   27.410   0.6364 -0.2769000E-01 1.273000 
1 1 1   23    7   32 o   7.4180   1.5880 3.307000 3.176000 
1 1 1   23    7   33 o   14.170   1.0390 0.5157000 2.079000 
1 1 1   23    8    0 o   33.790   0.6360 -0.000000 0.000000 
1 1 1   23    8    1 f   76.270   0.6761 -2.581000 1.352000 
1 1 1   23    8    2 o   45.300   0.4715 0.1576000E-01 0.9430000 
1 1 1   23    8    3 o   26.550   0.5441 1.098000 1.088000 
1 1 1   23    8    4 o   79.450   0.7005 -2.632000 1.401000 
1 1 1   23    8    5 o   27.470   0.5358 0.4002000 1.072000 
1 1 1   23    8    6 o   34.010   0.4471 4.910000 0.8942000 
1 1 1   23    8    7 o   77.530   0.6837 0.3020000 1.367000 
1 1 1   23    8    8 o   42.730   0.4600 -1.564000 0.9200000 
1 1 1   23    8    9 o   83.610   0.7337 5.003000 1.467000 
1 1 1   23    8   10 o   45.110   0.4742 0.4319000 0.9483000 
1 1 1   23    8   11 o   24.800   0.5210 2.001000 1.042000 
1 1 1   23    8   12 o   42.810   0.5317 -2.243000 1.063000 
1 1 1   23    8   13 o   31.650   0.4619 1.062000 0.9237000 
1 1 1   23    8   14 o   39.410   0.4638 -2.370000 0.9277000 
1 1 1   23    8   15 o   17.550   0.8167 -1.660000 1.633000 
1 1 1   23    8   16 o   8.2900   1.2520 7.279000 2.504000 
1 1 1   23    8   17 o   44.660   0.4887 -0.9364000 0.9773000 
1 1 1   23    8   18 o   45.150   0.4974 -0.8056000 0.9947000 
1 1 1   23    8   19 f   12.980   1.0150 0.4884000E-01 2.030000 
1 1 1   23    8   20 o   15.990   0.8829 -2.907000 1.766000 
1 1 1   23    8   21 o   41.480   0.5080 1.656000 1.016000 
1 1 1   23    8   22 o   9.2150   1.7200 0.1347000 3.440000 
1 1 1   23    8   23 o   49.200   0.6081 2.548000 1.216000 
1 1 1   23    8   24 o   14.900   1.1690 -0.2693000 2.339000 
1 1 1   23    8   25 o   18.520   0.8569 -0.8659000 1.714000 
1 1 1   23    8   26 f   44.960   0.5430 -0.7133000 1.086000 
1 1 1   23    8   27 o   20.890   0.8857 2.116000 1.771000 
1 1 1   23    8   28 o   9.2090   1.8350 0.9510000 3.670000 
1 1 1   23    8   29 o   15.170   1.0750 1.439000 2.150000 
1 1 1   23    8   30 o   20.210   0.8076 0.6911000 1.615000 
1 1 1   23    8   31 o   8.9690   1.5760 3.960000 3.152000 
1 1 1   23    8   32 o   13.750   1.0680 -0.3276000 2.136000 
1 1 1   23    8   33 o   10.370   1.5090 4.901000 3.018000 
1 1 1   23    9    0 o   25.930   0.7623 -0.000000 0.000000 
1 1 1   23    9    1 o   15.030   0.8489 -4.295000 1.698000 
1 1 1   23    9    2 o   11.330   1.0090 0.3082000 2.018000 
1 1 1   23    9    3 o   36.210   0.4444 -4.255000 0.8889000 
1 1 1   23    9    4 o   36.880   0.4437 1.698000 0.8874000 
1 1 1   23    9    5 o   42.330   0.4508 -0.1414000 0.9016000 
1 1 1   23    9    6 o   41.910   0.4470 -3.988000 0.8940000 
1 1 1   23    9    7 o   22.640   0.5744 -5.598000 1.149000 
1 1 1   23    9    8 o   39.190   0.4449 -0.4271000E-01 0.8899000 
1 1 1   23    9    9 o   34.570   0.4521 3.384000 0.9041000 
1 1 1   23    9   10 o   7.9850   1.3700 5.215000 2.739000 
1 1 1   23    9   11 o   41.320   0.4836 -0.2553000 0.9673000 
1 1 1   23    9   12 o   11.070   1.1600 2.833000 2.319000 
1 1 1   23    9   13 o   23.780   0.5905 -0.2329000E-01 1.181000 
1 1 1   23    9   14 f   26.070   0.5570 1.610000 1.114000 
1 1 1   23    9   15 o   34.540   0.4930 0.9719000 0.9860000 
1 1 1   23    9   16 o   48.500   0.5135 -2.466000 1.027000 
1 1 1   23    9   17 o   12.460   1.1570 3.304000 2.314000 
1 1 1   23    9   18 o   29.780   0.6227 0.6548000 1.245000 
1 1 1   23    9   19 o   23.430   0.6566 1.729000 1.313000 
1 1 1   23    9   20 o   34.450   0.5432 -0.3784000 1.086000 
1 1 1   23    9   21 o   17.850   1.0010 4.682000 2.003000 
1 1 1   23    9   22 o   23.870   0.7045 0.6563000 1.409000 
1 1 1   23    9   23 o   36.110   0.6085 2.136000 1.217000 
1 1 1   23    9   24 o   11.690   1.5520 5.047000 3.104000 
1 1 1   23    9   25 o   27.060   0.7058 -2.484000 1.412000 
1 1 1   23    9   26 o   28.270   0.6864 0.6462000 1.373000 
1 1 1   23    9   27 o   22.710   0.8008 -0.7087000 1.602000 
1 1 1   23    9   28 o   9.6380   1.7760 0.7383000 3.552000 
1 1 1   23    9   29 f   20.170   0.8950 -1.409000 1.790000 
1 1 1   23    9   30 f   9.5240   1.6960 -2.990000 3.392000 
1 1 1   23    9   31 o   25.820   0.6679 0.1176000 1.336000 
1 1 1   23    9   32 o   10.220   1.5200 -0.7850000 3.040000 
1 1 1   23   10    0 o   55.770   0.6675 -0.000000 0.000000 
1 1 1   23   10    1 o   34.820   0.4242 -0.1349000 0.8484000 
1 1 1   23   10    2 o   25.980   0.5371 3.745000 1.074000 
1 1 1   23   10    3 o   8.6250   1.4510 -0.4901000 2.902000 
1 1 1   23   10    4 o   34.180   0.4701 -1.994000 0.9401000 
1 1 1   23   10    5 o   13.900   0.9077 -0.6052000 1.815000 
1 1 1   23   10    6 o   57.180   0.5188 3.495000 1.038000 
1 1 1   23   10    7 f   39.590   0.4638 -2.218000 0.9275000 
1 1 1   23   10    8 o   12.080   1.2160 -4.439000 2.433000 
1 1 1   23   10    9 o   37.430   0.4676 0.8764000 0.9352000 
1 1 1   23   10   10 o   37.310   0.4680 -1.283000 0.9360000 
1 1 1   23   10   11 o   31.160   0.4909 2.770000 0.9819000 
1 1 1   23   10   12 o   39.800   0.4720 -3.699000 0.9440000 
1 1 1   23   10   13 o   34.800   0.4820 0.9770000 0.9639000 
1 1 1   23   10   14 o   36.320   0.4882 2.882000 0.9763000 
1 1 1   23   10   15 o   35.860   0.5004 1.035000 1.001000 
1 1 1   23   10   16 o   34.460   0.5144 3.378000 1.029000 
1 1 1   23   10   17 o   30.700   0.5515 5.047000 1.103000 
1 1 1   23   10   18 o   32.890   0.5382 0.5108000 1.076000 
1 1 1   23   10   19 o   13.350   1.1730 3.262000 2.347000 
1 1 1   23   10   20 o   13.240   1.3910 5.036000 2.783000 
1 1 1   23   10   21 o   20.720   0.8087 2.970000 1.617000 
1 1 1   23   10   22 o   31.650   0.5996 2.246000 1.199000 
1 1 1   23   10   23 o   13.060   1.4120 6.630000 2.823000 
1 1 1   23   10   24 o   12.580   1.4440 -1.109000 2.888000 
1 1 1   23   10   25 f   17.400   1.0330 1.336000 2.065000 
1 1 1   23   10   26 o   12.880   1.4680 4.018000 2.937000 
1 1 1   23   10   27 o   10.730   1.6390 6.465000 3.278000 
1 1 1   23   10   28 o   16.700   1.0920 1.049000 2.185000 
1 1 1   23   10   29 o   22.450   0.7901 -0.9037000 1.580000 
1 1 1   23   10   30 o   16.740   1.0070 -1.475000 2.014000 
1 1 1   23   10   31 o   5.5000   1.5930 -2.737000 3.186000 
1 1 1   23   10   32 o   6.4440   1.6990 -1.486000 3.397000 
1 1 1   23   11    0 f   6.8780   2.1800 -0.000000 0.000000 
1 1 1   23   11    1 o   7.5230   1.5210 0.7693000E-01 3.042000 
1 1 1   23   11    2 o   29.630   0.4864 -1.872000 0.9727000 
1 1 1   23   11    3 o   19.790   0.6428 1.751000 1.286000 
1 1 1   23   11    4 o   8.4300   1.5610 0.5155000 3.122000 
1 1 1   23   11    5 o   9.1600   1.4840 3.410000 2.969000 
1 1 1   23   11    6 o   42.220   0.4841 -1.449000 0.9681000 
1 1 1   23   11    7 o   20.560   0.6875 1.160000 1.375000 
1 1 1   23   11    8 o   28.300   0.5531 -0.2963000 1.106000 
1 1 1   23   11    9 o   12.080   1.1630 0.1313000 2.325000 
1 1 1   23   11   10 o   26.280   0.5917 3.017000 1.183000 
1 1 1   23   11   11 o   43.080   0.4978 0.6532000 0.9956000 
1 1 1   23   11   12 o   23.720   0.6380 2.474000 1.276000 
1 1 1   23   11   13 o   29.220   0.6490 3.984000 1.298000 
1 1 1   23   11   14 o   39.520   0.5462 2.108000 1.092000 
1 1 1   23   11   15 o   29.750   0.5698 5.634000 1.140000 
1 1 1   23   11   16 o   10.160   1.4160 8.953000 2.831000 
1 1 1   23   11   17 o   13.220   1.2780 6.023000 2.557000 
1 1 1   23   11   18 o   10.550   1.7530 0.1487000 3.507000 
1 1 1   23   11   19 f   25.470   0.7011 -0.8186000 1.402000 
1 1 1   23   11   20 o   36.130   0.5768 0.3974000 1.154000 
1 1 1   23   11   21 o   19.110   0.9376 2.218000 1.875000 
1 1 1   23   11   22 o   18.060   1.0120 2.455000 2.023000 
1 1 1   23   11   23 o   26.870   0.7389 -2.055000 1.478000 
1 1 1   23   11   24 f   11.290   1.7230 0.2364000 3.446000 
1 1 1   23   11   25 o   10.750   1.7900 4.143000 3.579000 
1 1 1   23   11   26 o   10.390   1.8360 -1.566000 3.673000 
1 1 1   23   11   27 o   19.750   1.0370 -4.532000 2.074000 
1 1 1   23   11   28 o   17.510   1.1170 0.3749000 2.234000 
1 1 1   23   11   29 o   16.010   1.1890 -1.417000 2.378000 
1 1 1   23   11   30 o   8.6080   1.6790 5.919000 3.359000 
1 1 1   23   11   31 o   5.8590   1.7090 2.201000 3.419000 
1 1 1   23   12    0 o   14.120   1.3450 -0.000000 0.000000 
1 1 1   23   12    1 f   55.880   0.4932 2.147000 0.9865000 
1 1 1   23   12    2 o   12.330   1.1840 -5.443000 2.367000 
1 1 1   23   12    3 o   19.780   0.6899 1.542000 1.380000 
1 1 1   23   12    4 o   21.160   0.6528 1.530000 1.306000 
1 1 1   23   12    5 o   6.1710   1.6100 0.4976000 3.220000 
1 1 1   23   12    6 o   23.290   0.6821 -0.5360000E-01 1.364000 
1 1 1   23   12    7 o   39.940   0.5092 0.3495000 1.018000 
1 1 1   23   12    8 o   27.990   0.5970 0.4578000 1.194000 
1 1 1   23   12    9 o   19.020   0.7987 4.219000 1.597000 
1 1 1   23   12   10 o   19.250   0.8633 -3.853000 1.727000 
1 1 1   23   12   11 o   12.680   1.2410 2.774000 2.483000 
1 1 1   23   12   12 o   12.790   1.2410 0.4056000 2.482000 
1 1 1   23   12   13 o   28.710   0.6170 4.200000 1.234000 
1 1 1   23   12   14 o   38.670   0.5411 2.121000 1.082000 
1 1 1   23   12   15 o   16.950   1.1810 0.4405000E-01 2.362000 
1 1 1   23   12   16 o   6.5700   1.7930 0.8550000 3.585000 
1 1 1   23   12   17 o   39.410   0.5595 2.447000 1.119000 
1 1 1   23   12   18 o   19.540   0.9287 0.3837000 1.857000 
1 1 1   23   12   19 o   10.080   1.9350 -1.712000 3.869000 
1 1 1   23   12   20 o   19.880   1.0050 -5.415000 2.011000 
1 1 1   23   12   21 o   25.770   0.7813 -0.2529000 1.563000 
1 1 1   23   12   22 o   14.810   1.3620 -0.6413000 2.724000 
1 1 1   23   12   23 o   14.560   1.4320 -1.121000 2.863000 
1 1 1   23   12   24 o   17.950   1.1910 6.721000 2.382000 
1 1 1   23   12   25 o   10.930   1.8080 5.438000 3.615000 
1 1 1   23   12   26 o   19.230   1.0650 1.484000 2.130000 
1 1 1   23   12   27 o   14.380   1.4410 -0.4054000 2.881000 
1 1 1   23   12   28 o   5.6210   1.7580 0.6348000 3.517000 
1 1 1   23   12   29 o   8.7810   1.8660 3.573000 3.731000 
1 1 1   23   12   30 o   9.3210   1.8720 -0.8380000E-01 3.744000 
1 1 1   23   13    0 o   22.310   0.9474 -0.000000 0.000000 
1 1 1   23   13    1 o   28.580   0.5679 0.5318000 1.136000 
1 1 1   23   13    2 o   28.700   0.5622 -1.633000 1.124000 
1 1 1   23   13    3 o   32.500   0.5253 2.748000 1.051000 
1 1 1   23   13    4 o   20.860   0.7256 -2.399000 1.451000 
1 1 1   23   13    5 o   24.820   0.6358 -4.413000 1.272000 
1 1 1   23   13    6 o   36.580   0.5068 0.5284000 1.014000 
1 1 1   23   13    7 o   37.950   0.5028 0.9752000 1.006000 
1 1 1   23   13    8 o   26.820   0.6693 -1.599000 1.339000 
1 1 1   23   13    9 o   46.590   0.5382 2.235000 1.076000 
1 1 1   23   13   10 o   14.360   1.1810 2.804000 2.363000 
1 1 1   23   13   11 o   14.680   1.1620 -0.1484000E-01 2.324000 
1 1 1   23   13   12 o   13.990   1.4600 0.9100000 2.919000 
1 1 1   23   13   13 o   18.520   0.9503 3.770000 1.901000 
1 1 1   23   13   14 o   16.140   1.1240 0.2820000 2.248000 
1 1 1   23   13   15 o   28.410   0.6932 0.2271000 1.386000 
1 1 1   23   13   16 o   17.600   1.2470 2.046000 2.495000 
1 1 1   23   13   17 o   12.070   1.6440 -2.138000 3.288000 
1 1 1   23   13   18 o   20.250   0.9763 6.174000 1.953000 
1 1 1   23   13   19 o   16.160   1.3040 -3.851000 2.608000 
1 1 1   23   13   20 o   18.540   1.1430 -1.082000 2.287000 
1 1 1   23   13   21 o   17.590   1.2680 -5.275000 2.537000 
1 1 1   23   13   22 o   18.350   1.1620 0.7988000 2.323000 
1 1 1   23   13   23 o   9.9600   2.0160 1.523000 4.033000 
1 1 1   23   13   24 f   21.140   1.2920 -3.540000 2.585000 
1 1 1   23   13   25 o   6.3780   1.8880 -1.534000 3.776000 
1 1 1   23   13   26 o   16.340   1.3170 -1.112000 2.634000 
1 1 1   23   13   27 o   7.6380   1.8880 -3.526000 3.776000 
1 1 1   23   13   28 o   7.3510   1.9080 4.112000 3.815000 
1 1 1   23   13   29 o   8.9830   1.9470 2.600000 3.893000 
1 1 1   23   14    0 o   30.970   0.8256 -0.000000 0.000000 
1 1 1   23   14    1 o   25.320   0.6554 -1.101000 1.311000 
1 1 1   23   14    2 o   39.500   0.5211 1.787000 1.042000 
1 1 1   23   14    3 o   15.880   1.0160 2.214000 2.032000 
1 1 1   23   14    4 o   10.300   1.5560 1.984000 3.113000 
1 1 1   23   14    5 o   19.750   0.8549 -4.450000 1.710000 
1 1 1   23   14    6 o   15.460   1.0690 -2.032000 2.137000 
1 1 1   23   14    7 o   72.490   0.6009 0.2833000 1.202000 
1 1 1   23   14    8 f   6.8450   1.7390 2.498000 3.478000 
1 1 1   23   14    9 o   45.390   0.5122 0.1325000 1.024000 
1 1 1   23   14   10 o   19.000   0.9652 3.665000 1.930000 
1 1 1   23   14   11 o   16.130   1.1350 2.244000 2.270000 
1 1 1   23   14   12 o   8.4760   1.8960 1.220000 3.793000 
1 1 1   23   14   13 o   19.900   0.9447 2.793000 1.889000 
1 1 1   23   14   14 o   25.290   0.7854 3.357000 1.571000 
1 1 1   23   14   15 o   21.680   0.9114 2.303000 1.823000 
1 1 1   23   14   16 o   9.5050   1.7440 -5.399000 3.488000 
1 1 1   23   14   17 o   8.7180   1.8510 5.102000 3.701000 
1 1 1   23   14   18 o   18.070   1.1840 2.651000 2.369000 
1 1 1   23   14   19 o   17.290   1.3310 -4.011000 2.662000 
1 1 1   23   14   20 f   12.890   1.7420 -1.029000 3.484000 
1 1 1   23   14   21 o   22.960   0.9820 2.295000 1.964000 
1 1 1   23   14   22 o   14.460   1.6030 4.444000 3.207000 
1 1 1   23   14   23 o   11.350   1.9700 -1.331000 3.941000 
1 1 1   23   14   24 o   16.620   1.3860 4.558000 2.772000 
1 1 1   23   14   25 o   15.290   1.4530 -0.2641000 2.906000 
1 1 1   23   14   26 o   6.4530   1.9120 -0.1938000 3.824000 
1 1 1   23   14   27 o   10.270   1.8770 3.889000 3.754000 
1 1 1   23   14   28 o   11.540   1.7250 -6.786000 3.450000 
1 1 1   23   15    0 o   47.590   0.7480 -0.000000 0.000000 
1 1 1   23   15    1 o   28.650   0.6468 -1.667000 1.294000 
1 1 1   23   15    2 o   46.870   0.5240 0.8787000E-01 1.048000 
1 1 1   23   15    3 o   21.430   0.8318 -4.143000 1.664000 
1 1 1   23   15    4 o   49.410   0.5336 -1.849000 1.067000 
1 1 1   23   15    5 o   22.670   0.8021 -2.235000 1.604000 
1 1 1   23   15    6 o   51.830   0.5378 2.187000 1.076000 
1 1 1   23   15    7 o   16.750   1.0690 1.065000 2.138000 
1 1 1   23   15    8 o   44.520   0.5376 -0.8680000 1.075000 
1 1 1   23   15    9 f   40.710   0.5479 3.134000 1.096000 
1 1 1   23   15   10 o   16.720   1.1070 1.164000 2.214000 
1 1 1   23   15   11 o   13.460   1.3690 0.6070000E-01 2.738000 
1 1 1   23   15   12 o   35.400   0.6559 3.500000 1.312000 
1 1 1   23   15   13 o   18.910   1.0980 3.733000 2.196000 
1 1 1   23   15   14 o   17.880   1.1700 3.519000 2.340000 
1 1 1   23   15   15 o   16.880   1.2560 2.535000 2.513000 
1 1 1   23   15   16 o   8.3310   2.0450 1.078000 4.090000 
1 1 1   23   15   17 o   25.440   0.8855 0.1861000 1.771000 
1 1 1   23   15   18 o   12.830   1.7790 6.979000 3.558000 
1 1 1   23   15   19 o   20.830   1.1360 -2.005000 2.272000 
1 1 1   23   15   20 o   12.070   1.9440 -0.3503000 3.888000 
1 1 1   23   15   21 f   9.9190   2.1160 -0.4758000 4.232000 
1 1 1   23   15   22 o   8.9430   2.1200 1.330000 4.240000 
1 1 1   23   15   23 o   11.200   1.9980 -0.9265000 3.996000 
1 1 1   23   15   24 o   9.5970   2.0860 0.1713000 4.173000 
1 1 1   23   15   25 o   9.8210   2.0290 2.073000 4.058000 
1 1 1   23   15   26 o   15.160   1.4550 0.1276000 2.909000 
1 1 1   23   15   27 o   9.7080   1.9920 2.681000 3.985000 
1 1 1   23   16    0 o   41.740   0.7904 -0.000000 0.000000 
1 1 1   23   16    1 o   15.250   1.2260 1.499000 2.452000 
1 1 1   23   16    2 f   9.3700   1.7550 -4.539000 3.509000 
1 1 1   23   16    3 o   30.030   0.6588 -0.2447000 1.318000 
1 1 1   23   16    4 o   18.100   1.0410 -1.815000 2.082000 
1 1 1   23   16    5 o   24.550   0.8037 3.595000 1.607000 
1 1 1   23   16    6 o   30.930   0.6607 -2.155000 1.321000 
1 1 1   23   16    7 o   25.360   0.8625 1.288000 1.725000 
1 1 1   23   16    8 o   15.120   1.3160 1.671000 2.631000 
1 1 1   23   16    9 f   40.310   0.5847 0.6825000 1.169000 
1 1 1   23   16   10 o   31.380   0.6833 -0.9686000 1.367000 
1 1 1   23   16   11 o   29.370   0.7166 -0.8778000 1.433000 
1 1 1   23   16   12 o   20.770   0.9779 0.7309000 1.956000 
1 1 1   23   16   13 o   10.320   1.9830 -1.789000 3.965000 
1 1 1   23   16   14 o   22.830   1.0020 0.1042000 2.004000 
1 1 1   23   16   15 o   25.420   0.9235 -0.4916000 1.847000 
1 1 1   23   16   16 o   7.9280   2.0440 -2.097000 4.088000 
1 1 1   23   16   17 o   14.850   1.6210 0.8763000 3.242000 
1 1 1   23   16   18 o   18.820   1.2780 4.968000 2.557000 
1 1 1   23   16   19 o   16.650   1.4840 -2.395000 2.968000 
1 1 1   23   16   20 o   12.970   1.8530 1.989000 3.705000 
1 1 1   23   16   21 o   10.180   2.1410 1.047000 4.282000 
1 1 1   23   16   22 o   12.600   1.8940 2.852000 3.789000 
1 1 1   23   16   23 o   27.570   0.8686 -0.1189000 1.737000 
1 1 1   23   16   24 o   7.5060   1.9930 3.927000 3.987000 
1 1 1   23   16   25 o   7.3050   1.8570 -4.542000 3.715000 
1 1 1   23   16   26 o   6.5580   1.9440 1.251000 3.888000 
1 1 1   23   17    0 o   48.020   0.8075 -0.000000 0.000000 
1 1 1   23   17    1 o   25.120   0.8186 0.9815000 1.637000 
1 1 1   23   17    2 o   18.560   1.1050 0.3583000 2.211000 
1 1 1   23   17    3 o   14.240   1.4460 1.908000 2.892000 
1 1 1   23   17    4 o   38.190   0.6213 -0.7798000 1.243000 
1 1 1   23   17    5 o   36.910   0.6266 -0.3658000 1.253000 
1 1 1   23   17    6 o   12.070   1.7410 2.454000 3.482000 
1 1 1   23   17    7 o   30.250   0.7253 0.9570000 1.451000 
1 1 1   23   17    8 o   31.870   0.6981 1.518000 1.396000 
1 1 1   23   17    9 o   11.280   1.8190 3.130000 3.639000 
1 1 1   23   17   10 o   17.860   1.1820 -2.479000 2.365000 
1 1 1   23   17   11 o   10.260   1.9610 -1.556000 3.921000 
1 1 1   23   17   12 o   8.2830   2.0330 -1.408000 4.066000 
1 1 1   23   17   13 o   9.8470   1.9790 -3.023000 3.958000 
1 1 1   23   17   14 o   14.090   1.6030 2.500000 3.207000 
1 1 1   23   17   15 o   12.270   1.8590 -7.708000 3.717000 
1 1 1   23   17   16 o   20.420   1.2120 -1.229000 2.423000 
1 1 1   23   17   17 o   13.290   1.8830 -4.090000 3.767000 
1 1 1   23   17   18 o   7.8360   2.1060 2.482000 4.211000 
1 1 1   23   17   19 o   13.660   1.7800 3.130000 3.560000 
1 1 1   23   17   20 o   12.050   1.9760 -0.6652000 3.953000 
1 1 1   23   17   21 o   9.8630   2.0770 -3.009000 4.154000 
1 1 1   23   17   22 o   9.2420   2.1000 -1.804000 4.201000 
1 1 1   23   17   23 o   6.8350   2.0020 -0.5411000 4.004000 
1 1 1   23   17   24 o   8.1360   2.1100 0.9302000 4.219000 
1 1 1   23   17   25 o   9.5750   2.0620 -1.863000 4.125000 
1 1 1   23   18    0 o   7.6950   2.8410 -0.000000 0.000000 
1 1 1   23   18    1 o   28.730   0.7712 0.8906000 1.542000 
1 1 1   23   18    2 o   23.380   1.0020 0.7253000 2.005000 
1 1 1   23   18    3 o   32.910   0.7147 -1.431000 1.429000 
1 1 1   23   18    4 o   44.950   0.6071 0.7628000 1.214000 
1 1 1   23   18    5 o   15.810   1.3850 -0.9612000 2.769000 
1 1 1   23   18    6 o   13.470   1.9230 -4.681000 3.847000 
1 1 1   23   18    7 f   9.3120   1.9320 5.239000 3.864000 
1 1 1   23   18    8 o   7.1140   2.0210 -0.1091000E-01 4.042000 
1 1 1   23   18    9 o   21.770   1.0510 1.711000 2.102000 
1 1 1   23   18   10 o   14.160   1.6460 -1.103000 3.293000 
1 1 1   23   18   11 o   12.420   1.8160 -6.990000 3.632000 
1 1 1   23   18   12 o   13.230   1.7970 1.672000 3.595000 
1 1 1   23   18   13 f   16.230   1.4440 0.2447000 2.888000 
1 1 1   23   18   14 o   16.220   1.4480 2.986000 2.897000 
1 1 1   23   18   15 f   19.240   1.2040 1.054000 2.408000 
1 1 1   23   18   16 o   7.1590   2.0810 1.337000 4.162000 
1 1 1   23   18   17 o   15.100   1.6310 1.917000 3.261000 
1 1 1   23   18   18 o   14.150   1.7280 4.559000 3.456000 
1 1 1   23   18   19 o   14.340   1.7060 0.1005000 3.412000 
1 1 1   23   18   20 o   9.3370   2.1630 1.759000 4.327000 
1 1 1   23   18   21 o   9.8150   2.1390 -0.3278000 4.279000 
1 1 1   23   18   22 o   6.2000   1.7970 -3.655000 3.595000 
1 1 1   23   18   23 o   6.7700   1.9550 -1.637000 3.911000 
1 1 1   23   19    0 o   9.0950   3.0340 -0.000000 0.000000 
1 1 1   23   19    1 o   23.320   1.0440 -4.370000 2.088000 
1 1 1   23   19    2 o   34.110   0.7372 -0.7653000 1.474000 
1 1 1   23   19    3 o   14.880   1.6170 1.638000 3.233000 
1 1 1   23   19    4 o   8.0930   2.1090 -1.751000 4.218000 
1 1 1   23   19    5 o   12.730   1.8900 2.975000 3.780000 
1 1 1   23   19    6 o   7.7020   2.1100 -0.2960000 4.220000 
1 1 1   23   19    7 o   9.8590   2.1420 1.929000 4.285000 
1 1 1   23   19    8 o   11.740   1.8610 7.774000 3.723000 
1 1 1   23   19    9 o   10.620   2.1070 1.296000 4.213000 
1 1 1   23   19   10 o   15.690   1.6370 -6.647000 3.275000 
1 1 1   23   19   11 o   11.340   2.0230 -3.112000 4.047000 
1 1 1   23   19   12 o   13.620   1.7620 2.535000 3.523000 
1 1 1   23   19   13 o   22.890   1.0360 -1.932000 2.072000 
1 1 1   23   19   14 o   14.320   1.6920 -3.619000 3.383000 
1 1 1   23   19   15 o   7.5090   2.0790 -0.9742000 4.158000 
1 1 1   23   19   16 o   13.020   1.8080 -4.029000 3.616000 
1 1 1   23   19   17 o   7.9600   2.1420 -0.6114000 4.283000 
1 1 1   23   19   18 o   9.7370   2.0220 -4.538000 4.044000 
1 1 1   23   19   19 f   6.6250   1.9750 3.109000 3.949000 
1 1 1   23   19   20 o   9.8810   2.1650 0.3317000E-01 4.330000 
1 1 1   23   19   21 o   10.310   1.8490 -6.738000 3.698000 
1 1 1   23   19   22 o   6.3450   1.9140 -1.784000 3.828000 
1 1 1   23   20    0 o   5.6690   2.6040 -0.000000 0.000000 
1 1 1   23   20    1 o   21.490   1.1640 0.8029000 2.328000 
1 1 1   23   20    2 o   12.580   1.9770 2.716000 3.955000 
1 1 1   23   20    3 o   17.210   1.4430 1.567000 2.887000 
1 1 1   23   20    4 o   10.680   2.1580 0.4678000 4.316000 
1 1 1   23   20    5 o   14.970   1.6620 -0.1317000 3.324000 
1 1 1   23   20    6 o   11.560   2.0530 1.318000 4.105000 
1 1 1   23   20    7 o   20.760   1.1810 1.107000 2.361000 
1 1 1   23   20    8 o   6.4680   1.9810 -0.4698000 3.963000 
1 1 1   23   20    9 o   14.370   1.7410 -1.170000 3.482000 
1 1 1   23   20   10 o   11.850   2.0320 2.768000 4.063000 
1 1 1   23   20   11 o   13.780   1.7710 -0.7616000 3.541000 
1 1 1   23   20   12 f   9.2260   2.0770 6.360000 4.154000 
1 1 1   23   20   13 o   7.7820   2.0790 -0.8367000 4.158000 
1 1 1   23   20   14 o   8.6150   2.1130 -0.4379000 4.227000 
1 1 1   23   20   15 o   11.510   1.9810 -0.4926000 3.962000 
1 1 1   23   20   16 o   9.2500   2.1050 -0.6672000 4.209000 
1 1 1   23   20   17 o   7.8990   2.0470 1.905000 4.094000 
1 1 1   23   20   18 o   6.7780   2.0340 0.8497000 4.067000 
1 1 1   23   20   19 o   7.5680   2.0960 2.093000 4.192000 
1 1 1   23   20   20 o   7.1510   2.0500 2.903000 4.100000 
1 1 1   23   21    0 o   19.270   1.8780 -0.000000 0.000000 
1 1 1   23   21    1 o   12.070   2.0420 0.2334000 4.084000 
1 1 1   23   21    2 o   7.7830   2.1980 2.087000 4.397000 
1 1 1   23   21    3 o   6.9890   2.0740 -0.4754000 4.149000 
1 1 1   23   21    4 o   7.7300   2.1520 -0.1105000E-01 4.305000 
1 1 1   23   21    5 o   9.7300   1.9970 -6.008000 3.993000 
1 1 1   23   21    6 o   7.5990   2.1340 1.449000 4.268000 
1 1 1   23   21    7 o   11.210   1.9810 6.444000 3.963000 
1 1 1   23   21    8 o   7.5810   2.1250 0.3013000 4.249000 
1 1 1   23   21    9 o   13.460   1.8410 2.528000 3.682000 
1 1 1   23   21   10 o   8.8280   2.1670 -0.9473000 4.333000 
1 1 1   23   21   11 o   16.040   1.5280 -1.758000 3.056000 
1 1 1   23   21   12 o   6.2380   1.9020 -2.053000 3.804000 
1 1 1   23   21   13 o   9.2820   2.0070 4.025000 4.015000 
1 1 1   23   21   14 o   9.9180   2.0020 3.769000 4.005000 
1 1 1   23   21   15 o   8.9290   2.0310 3.497000 4.062000 
1 1 1   23   21   16 o   9.4880   1.7310 -7.681000 3.462000 
1 1 1   23   21   17 o   8.0310   1.8230 5.565000 3.646000 
1 1 1   23   21   18 o   8.8310   2.5420 2.034000 5.084000 
1 1 1   23   22    0 o   6.0670   2.7320 -0.000000 0.000000 
1 1 1   23   22    1 o   8.2210   2.2020 -0.1139000 4.404000 
1 1 1   23   22    2 o   8.3030   2.0950 4.162000 4.191000 
1 1 1   23   22    3 f   7.5850   2.1400 0.8681000 4.280000 
1 1 1   23   22    4 o   8.5950   2.2050 0.1143000 4.411000 
1 1 1   23   22    5 o   8.6180   2.1330 3.142000 4.267000 
1 1 1   23   22    6 o   6.0910   1.8830 -2.870000 3.766000 
1 1 1   23   22    7 o   13.650   1.8710 -5.187000 3.743000 
1 1 1   23   22    8 o   7.3760   2.0420 -2.949000 4.085000 
1 1 1   23   22    9 o   10.610   2.0660 2.905000 4.132000 
1 1 1   23   22   10 o   10.810   1.9870 4.647000 3.974000 
1 1 1   23   22   11 o   8.1120   2.0790 2.413000 4.157000 
1 1 1   23   22   12 o   4.7480   1.6110 0.6869000E-01 3.221000 
1 1 1   23   22   13 o   7.8130   1.8900 -4.561000 3.780000 
1 1 1   23   22   14 o   9.1290   2.0020 -2.206000 4.004000 
1 1 1   23   22   15 o   7.7270   1.9780 -2.730000 3.957000 
1 1 1   23   23    0 o   4.6370   2.2680 -0.000000 0.000000 
1 1 1   23   23    1 o   8.6170   2.2100 -1.190000 4.420000 
1 1 1   23   23    2 o   8.6310   2.2020 0.6740000E-01 4.404000 
1 1 1   23   23    3 o   7.0440   2.0710 -1.217000 4.143000 
1 1 1   23   23    4 o   10.220   2.2010 -0.2310000 4.402000 
1 1 1   23   23    5 o   8.7430   2.1860 0.3815000 4.371000 
1 1 1   23   23    6 o   8.1890   2.1430 -1.683000 4.286000 
1 1 1   23   23    7 o   8.3160   2.1550 -0.4506000 4.310000 
1 1 1   23   23    8 o   10.980   2.0460 -1.763000 4.093000 
1 1 1   23   23    9 o   10.400   1.9200 -5.173000 3.840000 
1 1 1   23   23   10 o   5.4940   2.4950      ?      ? 
1 1 1   23   23   11 o   6.6610   1.9270 1.343000 3.853000 
1 1 1   23   24    0 o   6.8840   2.8880 -0.000000 0.000000 
1 1 1   23   24    1 o   8.2080   2.0590 -3.657000 4.117000 
1 1 1   23   24    2 o   8.7800   2.0920 3.300000 4.185000 
1 1 1   23   24    3 o   8.0530   1.9830 -4.704000 3.965000 
1 1 1   23   24    4 o   10.610   2.1710 3.653000 4.343000 
1 1 1   23   24    5 o   7.3090   2.0540 -0.4281000 4.108000 
1 1 1   23   24    6 o   7.0750   1.9880 2.549000 3.976000 
1 1 1   24    0    0 o   16.850   0.6289 -0.000000 0.000000 
1 1 1   24    0    1 o   44.580   0.4998 -0.000000 0.000000 
1 1 1   24    0    2 o  129.300   1.3500 -0.000000 0.000000 
1 1 1   24    0    3 o   84.430   0.8883 -0.000000 0.000000 
1 1 1   24    0    4 o   37.180   0.5073 -0.000000 0.000000 
1 1 1   24    0    5 f   14.620   0.5552 -0.000000 0.000000 
1 1 1   24    0    6 o   57.430   0.7124 -0.000000 0.000000 
1 1 1   24    0    7 o   9.4460   0.7884 -0.000000 0.000000 
1 1 1   24    0    8 o   4.0770   1.4490 -0.000000 0.000000 
1 1 1   24    0    9 o   6.8190   1.0820 -0.000000 0.000000 
1 1 1   24    0   10 o  200.600   2.9590 -0.000000 0.000000 
1 1 1   24    0   11 o   75.630   1.1310 -0.000000 0.000000 
1 1 1   24    0   12 o   18.720   0.5862 -0.000000 0.000000 
1 1 1   24    0   13 o   11.900   0.7675 -0.000000 0.000000 
1 1 1   24    0   14 f   20.160   0.5963 -0.000000 0.000000 
1 1 1   24    0   16 o   15.740   0.6569 -0.000000 0.000000 
1 1 1   24    0   17 o   28.900   0.5840 -0.000000 0.000000 
1 1 1   24    0   18 o   67.770   1.0360 -0.000000 0.000000 
1 1 1   24    0   19 o   5.7720   1.5720 -0.000000 0.000000 
1 1 1   24    0   20 o   25.760   1.1840 -0.000000 0.000000 
1 1 1   24    0   21 o   70.540   1.5530 -0.000000 0.000000 
1 1 1   24    0   22 o   14.740   1.9960 -0.000000 0.000000 
1 1 1   24    0   23 o   7.8160   2.9580 -0.000000 0.000000 
1 1 1   24    0   24 o   36.650   1.2040 -0.000000 0.000000 
1 1 1   24    0   25 o   9.6560   3.0880 -0.000000 0.000000 
1 1 1   24    0   26 o   35.710   1.3060 -0.000000 0.000000 
1 1 1   24    0   27 o   64.980   1.5310 -0.000000 0.000000 
1 1 1   24    0   28 o   8.5810   3.4080 -0.000000 0.000000 
1 1 1   24    0   29 o   20.050   2.3100 -0.000000 0.000000 
1 1 1   24    0   30 f   19.210   2.3500 -0.000000 0.000000 
1 1 1   24    0   31 o   10.410   3.6340 -0.000000 0.000000 
1 1 1   24    0   32 o   6.5300   3.0200 -0.000000 0.000000 
1 1 1   24    0   33 o   14.040   3.3510 -0.000000 0.000000 
1 1 1   24    0   34 o   14.260   3.3440 -0.000000 0.000000 
1 1 1   24    0   35 o   13.540   3.4570 -0.000000 0.000000 
1 1 1   24    1    0 o  119.300   1.7630 -0.000000 0.000000 
1 1 1   24    1    1 o   74.460   0.7876 -2.309000 1.575000 
1 1 1   24    1    2 o   20.590   0.4294 -9.412000 0.8589000 
1 1 1   24    1    3 o   43.720   0.4925 1.502000 0.9849000 
1 1 1   24    1    4 o   45.940   0.5116 -0.2319000 1.023000 
1 1 1   24    1    5 o  108.100   1.1320 9.669000 2.264000 
1 1 1   24    1    6 o   17.920   0.4336 3.030000 0.8672000 
1 1 1   24    1    7 o   41.500   0.4759 6.077000 0.9517000 
1 1 1   24    1    8 o   7.5120   0.9507 3.035000 1.901000 
1 1 1   24    1    9 f   80.130   0.8452 0.7068000 1.690000 
1 1 1   24    1   10 o   88.800   0.8522 -0.3161000 1.704000 
1 1 1   24    1   11 o   39.240   0.4221 -4.450000 0.8442000 
1 1 1   24    1   12 o   42.080   0.4403 -0.4456000 0.8806000 
1 1 1   24    1   13 o   22.630   0.3564 -2.447000 0.7127000 
1 1 1   24    1   14 o   31.970   0.3786 2.185000 0.7572000 
1 1 1   24    1   15 o   15.210   0.4437 0.4947000 0.8875000 
1 1 1   24    1   16 o   32.910   0.4693 -0.9146000 0.9385000 
1 1 1   24    1   17 o   31.960   0.3926 -7.929000 0.7852000 
1 1 1   24    1   18 o   68.560   0.6715 3.507000 1.343000 
1 1 1   24    1   19 o   22.550   0.3820 0.7060000 0.7640000 
1 1 1   24    1   20 o   9.6560   1.2370      ?      ? 
1 1 1   24    1   21 o   12.530   0.5804 -2.301000 1.161000 
1 1 1   24    1   22 o   24.720   0.4271 -5.644000 0.8542000 
1 1 1   24    1   23 o   11.020   1.9230 -3.823000 3.846000 
1 1 1   24    1   24 o   33.380   0.8722 -2.128000 1.744000 
1 1 1   24    1   25 o   8.2740   2.1660 -0.2641000 4.332000 
1 1 1   24    1   26 o   17.790   1.6010 0.4574000 3.202000 
1 1 1   24    1   27 o   19.380   1.5610 0.5900000 3.122000 
1 1 1   24    1   28 o   19.510   1.7250 3.610000 3.450000 
1 1 1   24    1   29 o   16.460   2.0740 8.405000 4.148000 
1 1 1   24    1   30 o   14.930   2.2240 7.145000 4.449000 
1 1 1   24    1   31 o   6.6080   2.1400 -1.437000 4.280000 
1 1 1   24    1   32 o   12.230   2.5050 3.366000 5.010000 
1 1 1   24    1   33 o   7.9890   2.3550 3.292000 4.710000 
1 1 1   24    1   34 o   12.000   2.3300 5.759000 4.660000 
1 1 1   24    1   35 o   10.380   2.4970 2.632000 4.994000 
1 1 1   24    2    0 o   26.720   0.5652 -0.000000 0.000000 
1 1 1   24    2    1 o   84.620   0.8908 -0.5311000 1.782000 
1 1 1   24    2    2 o   70.900   0.7536 -6.798000 1.507000 
1 1 1   24    2    3 o  120.700   1.2620 -8.966000 2.524000 
1 1 1   24    2    4 o   64.550   0.6881 -1.693000 1.376000 
1 1 1   24    2    5 o   38.300   0.4529 -3.001000 0.9057000 
1 1 1   24    2    6 o   86.710   0.9123 -2.439000 1.825000 
1 1 1   24    2    7 o   64.100   0.6864 -6.960000 1.373000 
1 1 1   24    2    8 o   70.930   0.7533 -4.844000 1.507000 
1 1 1   24    2    9 f   53.500   0.5838 -2.766000 1.168000 
1 1 1   24    2   10 o   59.590   0.6430 1.161000 1.286000 
1 1 1   24    2   11 o   57.840   0.6264 2.016000 1.253000 
1 1 1   24    2   12 o   47.050   0.5286 0.8609000 1.057000 
1 1 1   24    2   13 o   47.830   0.5376 5.642000 1.075000 
1 1 1   24    2   14 o   31.400   0.4372 -3.450000 0.8744000 
1 1 1   24    2   15 o   47.870   0.5457 -2.008000 1.091000 
1 1 1   24    2   16 o   43.900   0.7273      ?      ? 
1 1 1   24    2   17 o   39.660   0.4433 -1.481000 0.8866000 
1 1 1   24    2   18 o   37.340   0.4311 -1.760000 0.8622000 
1 1 1   24    2   19 o   10.870   0.6821 -3.122000 1.364000 
1 1 1   24    2   20 o   19.020   0.5062 4.006000 1.012000 
1 1 1   24    2   21 o   12.480   0.6979 -0.2252000 1.396000 
1 1 1   24    2   22 o   11.630   0.8657 1.582000 1.731000 
1 1 1   24    2   23 o   36.200   0.5812 -1.772000 1.162000 
1 1 1   24    2   24 o   40.720   0.7368      ?      ? 
1 1 1   24    2   25 o   9.3000   1.3230      ?      ? 
1 1 1   24    2   26 o   13.680   1.4000 -2.397000 2.800000 
1 1 1   24    2   27 o   38.700   0.7823 -0.2177000 1.565000 
1 1 1   24    2   28 f   8.1440   1.7880 0.4833000 3.576000 
1 1 1   24    2   29 o   21.330   1.5080 1.920000 3.015000 
1 1 1   24    2   30 o   11.450   2.3930 -3.489000 4.787000 
1 1 1   24    2   31 o   8.2630   2.3560 3.412000 4.711000 
1 1 1   24    2   32 o   7.0990   2.2360 -0.1594000 4.472000 
1 1 1   24    2   33 o   21.330   1.7540 -6.119000 3.507000 
1 1 1   24    2   34 o   10.780   2.4090 4.939000 4.817000 
1 1 1   24    2   35 o   6.0970   2.8950      ?      ? 
1 1 1   24    3    0 o   89.370   1.3310 -0.000000 0.000000 
1 1 1   24    3    1 o   58.170   0.6309 6.051000 1.262000 
1 1 1   24    3    2 o   97.840   1.0270 2.297000 2.054000 
1 1 1   24    3    3 o  113.300   1.1860 -6.646000 2.372000 
1 1 1   24    3    4 o   91.370   0.9607 0.7056000E-01 1.921000 
1 1 1   24    3    5 f   16.100   0.5361 -5.101000 1.072000 
1 1 1   24    3    6 o   63.440   0.6826 -5.937000 1.365000 
1 1 1   24    3    7 o   99.350   1.0440 9.396000 2.088000 
1 1 1   24    3    8 o   11.880   0.7222 3.341000 1.444000 
1 1 1   24    3    9 o   83.610   0.8834 4.182000 1.767000 
1 1 1   24    3   10 o   17.320   0.5328 2.747000 1.066000 
1 1 1   24    3   11 o   36.350   0.4613 -2.494000 0.9225000 
1 1 1   24    3   12 o   31.780   0.4426 2.384000 0.8852000 
1 1 1   24    3   13 o   19.480   0.6897      ?      ? 
1 1 1   24    3   14 o   27.590   0.4144 5.565000 0.8288000 
1 1 1   24    3   15 o   20.220   0.5693      ?      ? 
1 1 1   24    3   16 o   43.970   0.4779 0.1480000 0.9558000 
1 1 1   24    3   17 o   24.320   0.4667 -0.9751000E-01 0.9334000 
1 1 1   24    3   18 o   29.050   0.4422 3.190000 0.8843000 
1 1 1   24    3   19 o   17.400   0.5777 0.6012000 1.155000 
1 1 1   24    3   20 o   36.320   0.4574 -1.570000 0.9148000 
1 1 1   24    3   21 o   14.170   0.7575 -4.635000 1.515000 
1 1 1   24    3   22 o   25.310   0.5076 5.462000 1.015000 
1 1 1   24    3   23 o   20.220   0.6005 0.2873000 1.201000 
1 1 1   24    3   24 o   36.020   0.4858 2.124000 0.9717000 
1 1 1   24    3   25 o   21.190   1.0000      ?      ? 
1 1 1   24    3   26 o   21.170   1.0430 -1.564000 2.087000 
1 1 1   24    3   27 o   28.020   0.9196 -0.5064000 1.839000 
1 1 1   24    3   30 o   10.860   1.8250      ?      ? 
1 1 1   24    3   31 f   23.190   0.9163      ?      ? 
1 1 1   24    3   32 o   6.5890   1.9790 -3.000000 3.958000 
1 1 1   24    3   33 o   15.950   1.5460 -0.1425000 3.092000 
1 1 1   24    3   34 o   9.6170   1.8650 1.436000 3.729000 
1 1 1   24    4    0 o  127.000   1.8800 -0.000000 0.000000 
1 1 1   24    4    1 o   79.700   0.8465 -7.573000 1.693000 
1 1 1   24    4    2 o   37.290   0.4748 7.154000 0.9495000 
1 1 1   24    4    3 o   37.310   0.4676 -0.4099000 0.9353000 
1 1 1   24    4    4 o   27.230   0.6129      ?      ? 
1 1 1   24    4    5 o   42.020   0.4992 2.243000 0.9985000 
1 1 1   24    4    6 o   76.430   0.8124 0.6359000 1.625000 
1 1 1   24    4    7 o   42.540   0.5079 -3.298000 1.016000 
1 1 1   24    4    8 o   17.560   0.5763 3.310000 1.153000 
1 1 1   24    4    9 o   32.750   0.4606 2.449000 0.9212000 
1 1 1   24    4   10 o   45.120   0.7466      ?      ? 
1 1 1   24    4   11 o   59.220   0.6480 1.734000 1.296000 
1 1 1   24    4   12 o   50.610   0.5237 -3.162000 1.047000 
1 1 1   24    4   13 o   51.220   0.6668      ?      ? 
1 1 1   24    4   14 o   96.700   0.9295 1.798000 1.859000 
1 1 1   24    4   15 o   19.290   0.5320 -1.838000 1.064000 
1 1 1   24    4   16 o   50.000   0.5322 -4.871000 1.064000 
1 1 1   24    4   17 o   23.590   0.4819 -0.6635000 0.9638000 
1 1 1   24    4   18 o   26.390   0.4793 -6.581000 0.9587000 
1 1 1   24    4   19 o   17.150   0.6877 2.871000 1.375000 
1 1 1   24    4   20 o   14.510   0.7811 0.5107000 1.562000 
1 1 1   24    4   21 o   11.680   1.0640 -0.6017000 2.128000 
1 1 1   24    4   22 o   31.110   0.8111      ?      ? 
1 1 1   24    4   23 o   25.440   0.5889 -2.000000 1.178000 
1 1 1   24    4   24 o   20.780   0.6837 -3.481000 1.367000 
1 1 1   24    4   25 o   7.5930   1.4430 3.881000 2.887000 
1 1 1   24    4   26 o   20.640   0.6684 -2.636000 1.337000 
1 1 1   24    4   27 o   26.480   0.6259 -0.2519000 1.252000 
1 1 1   24    4   28 o   27.400   0.9656 0.1945000 1.931000 
1 1 1   24    4   29 o   31.020   0.9478 -0.5985000 1.896000 
1 1 1   24    4   30 o   18.670   1.5820 0.6815000 3.164000 
1 1 1   24    4   31 o   14.600   1.9420 0.8237000 3.884000 
1 1 1   24    4   32 o   12.770   2.0540 -0.8240000 4.108000 
1 1 1   24    4   33 o   13.500   1.7090      ?      ? 
1 1 1   24    4   34 o   11.160   1.9940      ?      ? 
1 1 1   24    5    0 o   28.880   0.6620 -0.000000 0.000000 
1 1 1   24    5    1 o   45.090   0.5381 -9.142000 1.076000 
1 1 1   24    5    2 o   18.940   0.5659 -4.155000 1.132000 
1 1 1   24    5    3 o   51.010   0.5814 -2.668000 1.163000 
1 1 1   24    5    4 o   87.820   0.9301 2.623000 1.860000 
1 1 1   24    5    5 o   54.020   0.6049 1.786000 1.210000 
1 1 1   24    5    6 o   57.990   0.6410 -3.629000 1.282000 
1 1 1   24    5    7 o   40.250   0.5074 -0.7656000 1.015000 
1 1 1   24    5    8 o   51.220   0.5836 1.811000 1.167000 
1 1 1   24    5    9 o   29.290   0.4393 0.4856000 0.8786000 
1 1 1   24    5   10 o   26.200   0.4428 2.231000 0.8855000 
1 1 1   24    5   11 o   12.870   0.8029 1.808000 1.606000 
1 1 1   24    5   12 o   24.930   0.4613 -0.4415000 0.9226000 
1 1 1   24    5   13 o   65.330   0.6483 0.5401000 1.297000 
1 1 1   24    5   14 f   40.800   0.4776 -4.367000 0.9553000 
1 1 1   24    5   15 o   22.850   0.5088 -3.042000 1.018000 
1 1 1   24    5   16 o   21.630   0.5505 3.599000 1.101000 
1 1 1   24    5   17 o   31.170   0.5198 -3.699000 1.040000 
1 1 1   24    5   18 o   16.070   0.7952 1.372000 1.590000 
1 1 1   24    5   19 o   59.380   0.7719      ?      ? 
1 1 1   24    5   20 o   21.550   0.6067 -2.352000 1.213000 
1 1 1   24    5   21 o   36.900   0.5084 -1.212000 1.017000 
1 1 1   24    5   22 o   25.730   0.6187 -0.9484000 1.237000 
1 1 1   24    5   23 f   8.0100   1.5730 0.8612000E-02 3.146000 
1 1 1   24    5   24 o   10.280   1.3740 -0.7482000 2.747000 
1 1 1   24    5   25 o   32.390   0.5640 -0.6954000 1.128000 
1 1 1   24    5   26 o   30.790   0.6487 -1.251000 1.297000 
1 1 1   24    5   27 o   29.430   0.6273 1.988000 1.255000 
1 1 1   24    5   28 o   28.110   0.7223 2.665000 1.445000 
1 1 1   24    5   29 o   17.760   1.5350 0.2984000 3.071000 
1 1 1   24    5   30 o   21.550   1.1810 -3.217000 2.363000 
1 1 1   24    5   31 o   22.580   1.2380 0.7079000 2.477000 
1 1 1   24    5   32 o   7.5820   1.9720 -0.9175000 3.945000 
1 1 1   24    5   33 f   8.6940   1.9470 -0.1536000 3.895000 
1 1 1   24    5   34 o   11.560   2.0370 2.284000 4.074000 
1 1 1   24    6    0 o   41.150   0.7342 -0.000000 0.000000 
1 1 1   24    6    1 o   64.950   0.7092 3.690000 1.418000 
1 1 1   24    6    2 o   20.900   0.5564 0.1446000 1.113000 
1 1 1   24    6    3 o   54.800   0.6201 1.189000 1.240000 
1 1 1   24    6    4 f   38.250   0.5094 -0.4756000 1.019000 
1 1 1   24    6    5 o   88.320   0.9375 2.174000 1.875000 
1 1 1   24    6    6 o   24.680   0.4822 -4.359000 0.9644000 
1 1 1   24    6    7 o   42.200   0.4812 2.557000 0.9625000 
1 1 1   24    6    8 o   24.630   0.6262      ?      ? 
1 1 1   24    6    9 o   6.4640   1.4700 -2.413000 2.941000 
1 1 1   24    6   10 o   38.470   0.4727 2.407000 0.9453000 
1 1 1   24    6   11 o   17.460   0.6551 2.235000 1.310000 
1 1 1   24    6   12 o   44.960   0.5060 0.7217000 1.012000 
1 1 1   24    6   13 o   66.130   0.6660 -4.368000 1.332000 
1 1 1   24    6   14 o   49.530   0.5348 0.6863000 1.070000 
1 1 1   24    6   15 o   46.750   0.5189 0.3300000 1.038000 
1 1 1   24    6   16 o   14.020   0.8991 4.946000 1.798000 
1 1 1   24    6   17 o   23.790   0.5455 -0.9536000 1.091000 
1 1 1   24    6   18 o   34.280   0.4979 -3.668000 0.9958000 
1 1 1   24    6   19 o   18.980   0.7085 1.895000 1.417000 
1 1 1   24    6   20 o   9.3170   1.4340 -1.675000 2.868000 
1 1 1   24    6   21 o   19.650   0.6921 0.8241000 1.384000 
1 1 1   24    6   22 o   23.070   0.5467 0.9271000 1.093000 
1 1 1   24    6   23 f   6.6780   1.4670 -3.298000 2.934000 
1 1 1   24    6   24 o   26.210   0.6015 -1.005000 1.203000 
1 1 1   24    6   25 o   31.110   0.5025 -0.5199000 1.005000 
1 1 1   24    6   26 o   8.9610   1.5370 -2.947000 3.074000 
1 1 1   24    6   27 o   29.760   0.6680 1.492000 1.336000 
1 1 1   24    6   28 o   19.720   0.8990 -1.865000 1.798000 
1 1 1   24    6   29 o   16.600   1.0700 -0.9942000 2.140000 
1 1 1   24    6   30 o   9.5720   1.7660 1.225000 3.532000 
1 1 1   24    6   31 o   9.5890   2.0270 0.8544000 4.053000 
1 1 1   24    6   32 o   13.580   1.6760 -3.573000 3.352000 
1 1 1   24    6   33 o   9.6840   2.0690 -3.854000 4.137000 
1 1 1   24    6   34 o   8.1600   2.1810 -3.307000 4.362000 
1 1 1   24    7    0 o   36.380   0.7481 -0.000000 0.000000 
1 1 1   24    7    1 o   36.680   0.5252 -0.7926000E-01 1.050000 
1 1 1   24    7    2 o   5.2750   1.3990 0.8698000 2.798000 
1 1 1   24    7    3 o   18.700   0.6090 -0.1248000 1.218000 
1 1 1   24    7    4 o   75.690   0.7460 -0.9584000 1.492000 
1 1 1   24    7    5 o   23.490   0.5404 -2.526000 1.081000 
1 1 1   24    7    6 o   36.260   0.5204 -0.2376000 1.041000 
1 1 1   24    7    7 o   29.370   0.5324 -2.879000 1.065000 
1 1 1   24    7    8 o   27.740   0.6747      ?      ? 
1 1 1   24    7    9 o   74.180   0.7337 0.3356000E-01 1.467000 
1 1 1   24    7   10 o   41.510   0.5036 2.586000 1.007000 
1 1 1   24    7   11 o   6.6280   1.5600 -1.154000 3.119000 
1 1 1   24    7   12 o   30.190   0.4479 -0.9017000 0.8959000 
1 1 1   24    7   13 o   45.450   0.5122 3.052000 1.024000 
1 1 1   24    7   14 o   27.200   0.4728 -4.731000 0.9455000 
1 1 1   24    7   15 o   35.950   0.4478 -1.514000 0.8956000 
1 1 1   24    7   16 o   4.9450   1.4190 1.089000 2.837000 
1 1 1   24    7   17 o   16.820   0.7051 3.094000 1.410000 
1 1 1   24    7   18 o   63.820   0.5864 0.7798000 1.173000 
1 1 1   24    7   19 o   13.990   0.8712 2.652000 1.742000 
1 1 1   24    7   20 o   17.780   0.8164 -0.2557000 1.633000 
1 1 1   24    7   21 o   15.130   0.9904 -1.212000 1.981000 
1 1 1   24    7   22 o   20.760   0.6683 5.128000 1.337000 
1 1 1   24    7   23 o   19.010   0.8174 2.874000 1.635000 
1 1 1   24    7   24 o   13.990   1.0840 6.927000 2.168000 
1 1 1   24    7   25 o   38.850   0.5096 2.934000 1.019000 
1 1 1   24    7   26 o   17.530   0.8575 2.728000 1.715000 
1 1 1   24    7   27 o   25.300   0.6358 3.472000 1.272000 
1 1 1   24    7   28 o   46.350   0.5358 0.9823000E-01 1.072000 
1 1 1   24    7   29 o   23.270   0.6760 3.643000 1.352000 
1 1 1   24    7   30 o   7.5450   1.6710 -1.656000 3.342000 
1 1 1   24    7   31 o   15.630   0.9264 2.182000 1.853000 
1 1 1   24    7   32 o   13.620   1.4270      ?      ? 
1 1 1   24    7   33 o   9.1720   1.5490 0.5364000 3.097000 
1 1 1   24    8    0 o   23.890   0.7130 -0.000000 0.000000 
1 1 1   24    8    1 o   44.630   0.4706 -1.811000 0.9412000 
1 1 1   24    8    2 o   35.790   0.4556 0.1089000 0.9111000 
1 1 1   24    8    3 o   20.550   0.6387 -4.260000 1.277000 
1 1 1   24    8    4 o   36.710   0.5066 1.852000 1.013000 
1 1 1   24    8    5 o   31.290   0.5092 -3.079000 1.018000 
1 1 1   24    8    6 o   11.350   1.1260 -3.971000 2.252000 
1 1 1   24    8    7 o   11.450   0.9549 -0.7218000 1.910000 
1 1 1   24    8    8 o   12.560   0.8889 1.292000 1.778000 
1 1 1   24    8    9 o   49.590   0.4933 3.727000 0.9866000 
1 1 1   24    8   10 o   39.770   0.4556 -0.6616000 0.9112000 
1 1 1   24    8   11 o   29.850   0.5366 -0.1753000 1.073000 
1 1 1   24    8   12 o   15.020   0.7687 1.432000 1.537000 
1 1 1   24    8   13 o   22.200   0.6775 -1.459000 1.355000 
1 1 1   24    8   14 o   30.830   0.4738 0.3577000 0.9476000 
1 1 1   24    8   15 o   43.630   0.4794 0.7599000 0.9588000 
1 1 1   24    8   16 o   33.960   0.4778 -1.687000 0.9556000 
1 1 1   24    8   17 o   25.070   0.6444 0.3750000 1.289000 
1 1 1   24    8   18 o   32.470   0.5453 1.376000 1.091000 
1 1 1   24    8   19 f   12.860   1.1790 0.9910000 2.358000 
1 1 1   24    8   20 o   23.600   0.6171 -1.046000 1.234000 
1 1 1   24    8   21 o   20.220   0.8269 -0.5245000 1.654000 
1 1 1   24    8   22 o   33.220   0.5390 -2.544000 1.078000 
1 1 1   24    8   23 o   15.490   0.9509 0.6559000 1.902000 
1 1 1   24    8   24 o   40.690   0.5286 0.7738000 1.057000 
1 1 1   24    8   25 o   9.7290   1.7410 -0.4441000 3.482000 
1 1 1   24    8   26 o   23.220   0.7209 0.1641000 1.442000 
1 1 1   24    8   27 o   33.950   0.5694 0.2728000 1.139000 
1 1 1   24    8   28 o   27.410   0.6409 0.4824000 1.282000 
1 1 1   24    8   29 o   12.650   1.2890 1.400000 2.578000 
1 1 1   24    8   30 o   9.0840   1.6190 3.522000 3.238000 
1 1 1   24    8   31 o   12.050   1.3140 3.838000 2.629000 
1 1 1   24    8   32 f   7.6780   1.6660 -0.2116000E-01 3.333000 
1 1 1   24    8   33 o   15.310   1.0200 -3.474000 2.040000 
1 1 1   24    9    0 o   24.470   0.7893 -0.000000 0.000000 
1 1 1   24    9    1 o   50.910   0.5136 -0.6466000 1.027000 
1 1 1   24    9    2 o   56.200   0.5418 0.9227000 1.084000 
1 1 1   24    9    3 o   31.790   0.4872 -0.1096000E-01 0.9743000 
1 1 1   24    9    4 f   57.680   0.5149 -0.4570000 1.030000 
1 1 1   24    9    5 o   10.090   1.1640 -0.4904000 2.327000 
1 1 1   24    9    6 o   40.050   0.4410 -0.3606000 0.8819000 
1 1 1   24    9    7 o   34.430   0.4491 -2.331000 0.8983000 
1 1 1   24    9    8 o   36.970   0.4411 0.9842000 0.8821000 
1 1 1   24    9    9 o   31.140   0.4885 4.149000 0.9770000 
1 1 1   24    9   10 o   40.210   0.4744 -0.1652000 0.9488000 
1 1 1   24    9   11 o   25.980   0.6547 -3.930000 1.309000 
1 1 1   24    9   12 o   34.680   0.4825 1.623000 0.9651000 
1 1 1   24    9   13 o   22.050   0.6295 -3.702000 1.259000 
1 1 1   24    9   14 o   21.280   0.6475 -0.3591000 1.295000 
1 1 1   24    9   15 o   6.8910   1.7000 -0.7483000 3.400000 
1 1 1   24    9   16 o   13.070   1.2680 -1.288000 2.536000 
1 1 1   24    9   17 f   17.760   0.7985 3.669000 1.597000 
1 1 1   24    9   18 o   37.130   0.5146 0.2385000 1.029000 
1 1 1   24    9   19 o   27.400   0.6816 -2.764000 1.363000 
1 1 1   24    9   20 o   26.260   0.7183 -3.972000 1.437000 
1 1 1   24    9   21 o   42.280   0.5756 -1.020000 1.151000 
1 1 1   24    9   22 o   28.030   0.6974 -1.817000 1.395000 
1 1 1   24    9   23 o   39.370   0.5623 -5.116000 1.125000 
1 1 1   24    9   24 o   32.080   0.6167 -1.838000 1.233000 
1 1 1   24    9   25 o   9.8390   1.7890 -0.3229000 3.579000 
1 1 1   24    9   26 o   7.4030   1.8110 2.478000 3.621000 
1 1 1   24    9   27 o   21.140   0.8693 -0.1432000 1.739000 
1 1 1   24    9   28 o   10.680   1.6230 5.421000 3.245000 
1 1 1   24    9   29 o   8.5750   1.8090 2.016000 3.618000 
1 1 1   24    9   30 o   11.260   1.5010 -2.963000 3.002000 
1 1 1   24    9   31 o   10.510   1.5500 2.962000 3.100000 
1 1 1   24    9   32 o   6.3290   1.6790 -2.128000 3.357000 
1 1 1   24   10    0 o   4.1690   1.9220 -0.000000 0.000000 
1 1 1   24   10    1 o   15.400   0.8283 -0.9746000 1.657000 
1 1 1   24   10    2 o   18.220   0.6994 3.096000 1.399000 
1 1 1   24   10    3 o   45.050   0.4708 -2.057000 0.9417000 
1 1 1   24   10    4 o   11.450   1.2080 -4.478000 2.417000 
1 1 1   24   10    5 o   37.840   0.4688 -3.061000 0.9377000 
1 1 1   24   10    6 o   38.130   0.4679 -2.247000 0.9357000 
1 1 1   24   10    7 o   19.090   0.6807 1.975000 1.361000 
1 1 1   24   10    8 o   5.4720   1.5100 1.559000 3.020000 
1 1 1   24   10    9 o   11.350   1.2140 9.887000 2.429000 
1 1 1   24   10   10 o   5.4170   1.6130 2.749000 3.225000 
1 1 1   24   10   11 o   32.470   0.4873 2.270000 0.9746000 
1 1 1   24   10   12 o   34.090   0.4812 0.9408000 0.9623000 
1 1 1   24   10   13 o   18.320   0.7602 -2.016000 1.520000 
1 1 1   24   10   14 o   22.910   0.6244 3.495000 1.249000 
1 1 1   24   10   15 o   40.960   0.4892 1.450000 0.9784000 
1 1 1   24   10   16 o   7.1020   1.6400 2.993000 3.280000 
1 1 1   24   10   17 o   39.300   0.5012 -1.446000 1.002000 
1 1 1   24   10   18 o   35.170   0.5345 -0.8821000 1.069000 
1 1 1   24   10   19 o   11.470   1.4710 1.943000 2.942000 
1 1 1   24   10   20 o   48.930   0.5620 -1.289000 1.124000 
1 1 1   24   10   21 o   34.400   0.6418 2.244000 1.284000 
1 1 1   24   10   22 o   40.360   0.5841 -3.507000 1.168000 
1 1 1   24   10   23 o   23.090   0.8195 2.307000 1.639000 
1 1 1   24   10   24 o   17.450   1.1060 -4.781000 2.213000 
1 1 1   24   10   25 o   13.090   1.5070 -3.239000 3.015000 
1 1 1   24   10   26 o   11.250   1.6910 3.383000 3.382000 
1 1 1   24   10   27 o   14.950   1.2790 -0.6494000 2.559000 
1 1 1   24   10   28 o   15.920   1.2200 3.098000 2.440000 
1 1 1   24   10   29 o   12.610   1.5130 3.636000 3.025000 
1 1 1   24   10   30 o   11.690   1.4850 3.128000 2.970000 
1 1 1   24   10   31 o   8.1990   1.6150 -4.659000 3.230000 
1 1 1   24   10   32 o   6.4530   1.7400 0.3363000E-02 3.481000 
1 1 1   24   11    0 o   31.570   0.6550 -0.000000 0.000000 
1 1 1   24   11    1 o   33.500   0.4541 -2.925000 0.9082000 
1 1 1   24   11    2 o   54.730   0.4799 3.231000 0.9597000 
1 1 1   24   11    3 o   29.480   0.5343 1.366000 1.069000 
1 1 1   24   11    4 o   10.450   1.3350 0.4460000 2.670000 
1 1 1   24   11    5 o   60.080   0.5475 -0.4148000E-01 1.095000 
1 1 1   24   11    6 o   38.570   0.4900 -2.055000 0.9799000 
1 1 1   24   11    7 o   37.020   0.4939 1.711000 0.9877000 
1 1 1   24   11    8 o   15.860   0.8976 0.9743000E-01 1.795000 
1 1 1   24   11    9 o   35.440   0.5047 1.605000 1.009000 
1 1 1   24   11   10 o   28.780   0.5565 -0.2433000 1.113000 
1 1 1   24   11   11 o   29.280   0.5562 1.876000 1.112000 
1 1 1   24   11   12 o   17.840   0.9980 -1.380000 1.996000 
1 1 1   24   11   13 o   64.000   0.5745 0.2268000 1.149000 
1 1 1   24   11   14 o   17.750   0.8520 3.334000 1.704000 
1 1 1   24   11   15 o   31.440   0.6605 1.578000 1.321000 
1 1 1   24   11   16 o   28.850   0.6014 2.720000 1.203000 
1 1 1   24   11   17 o   12.910   1.2990 -1.147000 2.597000 
1 1 1   24   11   18 o   32.190   0.5776 -0.1510000 1.155000 
1 1 1   24   11   19 o   11.640   1.5140 -1.321000 3.029000 
1 1 1   24   11   20 o   35.370   0.5847 2.058000 1.169000 
1 1 1   24   11   21 o   25.970   0.8413 0.5909000 1.683000 
1 1 1   24   11   22 o   18.800   0.9929 4.705000 1.986000 
1 1 1   24   11   23 o   12.440   1.5900 -4.851000 3.181000 
1 1 1   24   11   24 o   20.040   0.9815 1.561000 1.963000 
1 1 1   24   11   25 o   14.540   1.4130 4.149000 2.826000 
1 1 1   24   11   26 o   19.680   1.0090 -0.1665000 2.018000 
1 1 1   24   11   27 o   8.9970   1.9420 0.1906000 3.884000 
1 1 1   24   11   28 o   10.320   1.7230 5.962000 3.447000 
1 1 1   24   11   29 o   10.200   1.7710 -2.837000 3.542000 
1 1 1   24   11   30 o   8.7850   1.8090 3.221000 3.617000 
1 1 1   24   11   31 o   6.4280   1.6270 4.532000 3.255000 
1 1 1   24   12    0 o   23.860   0.8245 -0.000000 0.000000 
1 1 1   24   12    1 o   20.230   0.6799 1.218000 1.360000 
1 1 1   24   12    2 o   26.880   0.5494 0.1887000 1.099000 
1 1 1   24   12    3 o   36.120   0.4740 0.3672000E-01 0.9479000 
1 1 1   24   12    4 o   40.320   0.4640 1.658000 0.9280000 
1 1 1   24   12    5 o   21.990   0.7268 -2.903000 1.454000 
1 1 1   24   12    6 o   36.550   0.5294 -2.650000 1.059000 
1 1 1   24   12    7 o   34.720   0.5269 1.310000 1.054000 
1 1 1   24   12    8 o   48.250   0.5212 -2.679000 1.042000 
1 1 1   24   12    9 o   35.110   0.5673 -1.690000 1.135000 
1 1 1   24   12   10 o   18.630   1.0610 -4.527000 2.123000 
1 1 1   24   12   11 o   30.940   0.5788 -0.1235000 1.158000 
1 1 1   24   12   12 o   21.610   0.7549 -0.3174000 1.510000 
1 1 1   24   12   13 o   32.680   0.5735 -0.7685000 1.147000 
1 1 1   24   12   14 o   32.090   0.5917 -2.656000 1.183000 
1 1 1   24   12   15 o   36.190   0.5645 -0.5497000E-02 1.129000 
1 1 1   24   12   16 o   15.630   1.1060 2.379000 2.212000 
1 1 1   24   12   17 o   41.590   0.5638 1.331000 1.128000 
1 1 1   24   12   18 o   24.830   0.7530 3.632000 1.506000 
1 1 1   24   12   19 o   25.840   0.7569 2.424000 1.514000 
1 1 1   24   12   20 o   7.5440   1.8650 3.619000 3.729000 
1 1 1   24   12   21 o   13.610   1.6550 12.22000 3.310000 
1 1 1   24   12   22 o   21.670   0.9408 -0.6124000E-01 1.882000 
1 1 1   24   12   23 o   17.310   1.2160 -3.489000 2.432000 
1 1 1   24   12   24 o   29.730   0.7267 -0.7239000 1.453000 
1 1 1   24   12   25 o   18.850   1.0960 0.2038000 2.193000 
1 1 1   24   12   26 o   16.190   1.2730 0.3459000 2.546000 
1 1 1   24   12   27 o   18.780   1.0990 2.900000 2.198000 
1 1 1   24   12   28 o   11.540   1.7470 -1.865000 3.495000 
1 1 1   24   12   29 o   6.8260   1.8690 -1.016000 3.737000 
1 1 1   24   12   30 o   7.2370   1.8520 2.850000 3.705000 
1 1 1   24   13    0 o   35.130   0.7184 -0.000000 0.000000 
1 1 1   24   13    1 o   18.760   0.7788 -0.1983000 1.558000 
1 1 1   24   13    2 o   16.480   0.9133 3.039000 1.827000 
1 1 1   24   13    3 o   18.940   0.7939 2.252000 1.588000 
1 1 1   24   13    4 o   13.440   1.0900 -1.322000 2.180000 
1 1 1   24   13    5 o   27.650   0.5875 -0.9160000 1.175000 
1 1 1   24   13    6 o   30.640   0.5588 0.6099000 1.118000 
1 1 1   24   13    7 o   16.780   0.9865 1.165000 1.973000 
1 1 1   24   13    8 o   31.120   0.6087 -0.4483000 1.217000 
1 1 1   24   13    9 o   21.580   0.8130 -1.981000 1.626000 
1 1 1   24   13   10 o   27.150   0.6680 0.3042000 1.336000 
1 1 1   24   13   11 o   13.040   1.3320 -0.1398000 2.664000 
1 1 1   24   13   12 o   42.110   0.5566 -2.031000 1.113000 
1 1 1   24   13   13 o   22.700   0.8019 0.1161000 1.604000 
1 1 1   24   13   14 o   24.160   0.7730 -0.7648000 1.546000 
1 1 1   24   13   15 o   19.370   0.9546 2.870000 1.909000 
1 1 1   24   13   16 o   40.710   0.5791 -0.3665000E-01 1.158000 
1 1 1   24   13   17 o   21.740   0.9047 -0.6822000 1.809000 
1 1 1   24   13   18 o   25.400   0.7929 1.130000 1.586000 
1 1 1   24   13   19 o   11.590   1.7700 -0.3350000 3.540000 
1 1 1   24   13   20 o   6.7020   1.8730 3.558000 3.746000 
1 1 1   24   13   21 o   14.360   1.4830 2.963000 2.966000 
1 1 1   24   13   22 o   11.460   1.8620 -1.291000 3.724000 
1 1 1   24   13   23 o   15.330   1.4170 0.6260000 2.835000 
1 1 1   24   13   24 o   18.430   1.1800 1.208000 2.359000 
1 1 1   24   13   25 o   9.3290   2.0510 1.550000 4.102000 
1 1 1   24   13   26 o   16.580   1.2980 -1.057000 2.597000 
1 1 1   24   13   27 o   8.3940   1.8690 5.038000 3.739000 
1 1 1   24   13   28 o   6.3200   1.8740 -0.2404000 3.749000 
1 1 1   24   13   29 o   6.9930   1.8730 -2.000000 3.745000 
1 1 1   24   14    0 o   31.980   0.7886 -0.000000 0.000000 
1 1 1   24   14    1 o   34.630   0.5483 1.669000 1.097000 
1 1 1   24   14    2 o   20.850   0.7891 -0.4599000 1.578000 
1 1 1   24   14    3 o   45.640   0.5072 -2.836000 1.014000 
1 1 1   24   14    4 o   46.480   0.5072 -5.096000 1.014000 
1 1 1   24   14    5 o   21.580   0.7640 0.7025000 1.528000 
1 1 1   24   14    6 o   27.210   0.6496 -1.147000 1.299000 
1 1 1   24   14    7 o   39.890   0.5303 -2.166000 1.061000 
1 1 1   24   14    8 o   24.610   0.7017 1.992000 1.403000 
1 1 1   24   14    9 o   21.750   0.8695 -2.594000 1.739000 
1 1 1   24   14   10 o   30.090   0.6665 0.9134000 1.333000 
1 1 1   24   14   11 o   23.920   0.8095 0.6115000E-01 1.619000 
1 1 1   24   14   12 o   35.610   0.6197 0.6168000E-01 1.239000 
1 1 1   24   14   13 o   33.370   0.6442 1.045000 1.288000 
1 1 1   24   14   14 o   22.500   0.9002 0.3553000 1.800000 
1 1 1   24   14   15 o   18.170   1.0820 3.154000 2.164000 
1 1 1   24   14   16 o   17.630   1.1250 1.595000 2.249000 
1 1 1   24   14   17 f   7.9780   1.9720 -1.183000 3.943000 
1 1 1   24   14   18 o   18.820   1.1230 2.938000 2.246000 
1 1 1   24   14   19 o   17.010   1.3050 5.286000 2.611000 
1 1 1   24   14   20 o   15.760   1.4250 -0.3997000 2.850000 
1 1 1   24   14   21 o   26.020   0.8868 0.5592000 1.774000 
1 1 1   24   14   22 o   12.760   1.7670 6.730000 3.535000 
1 1 1   24   14   23 o   18.440   1.2950 -4.538000 2.590000 
1 1 1   24   14   24 o   12.750   1.7950 5.454000 3.589000 
1 1 1   24   14   25 o   9.3790   2.0460 2.088000 4.091000 
1 1 1   24   14   26 o   6.3900   1.8890 -1.261000 3.778000 
1 1 1   24   14   27 o   14.630   1.4200 1.072000 2.840000 
1 1 1   24   14   28 o   7.5610   1.9660 1.625000 3.931000 
1 1 1   24   15    0 o   9.5510   2.4830 -0.000000 0.000000 
1 1 1   24   15    1 o   17.990   0.9651 -0.6969000 1.930000 
1 1 1   24   15    2 o   7.3030   1.7660 -3.072000 3.533000 
1 1 1   24   15    3 o   30.410   0.6228 0.5269000 1.246000 
1 1 1   24   15    4 o   32.170   0.6154 -1.614000 1.231000 
1 1 1   24   15    5 o   19.680   0.8940 0.3747000 1.788000 
1 1 1   24   15    6 o   42.710   0.5466 -2.124000 1.093000 
1 1 1   24   15    7 o   31.920   0.6232 2.692000 1.246000 
1 1 1   24   15    8 o   50.010   0.5361 -0.9625000 1.072000 
1 1 1   24   15    9 o   22.460   0.8173 -0.5677000 1.635000 
1 1 1   24   15   10 o   18.440   1.0790 1.055000 2.158000 
1 1 1   24   15   11 o   25.530   0.8345 -0.1391000 1.669000 
1 1 1   24   15   12 f   14.580   1.5710 -4.990000 3.141000 
1 1 1   24   15   13 o   20.800   1.0320 -2.280000 2.064000 
1 1 1   24   15   14 o   25.950   0.8240 1.464000 1.648000 
1 1 1   24   15   15 o   17.290   1.4250 8.911000 2.850000 
1 1 1   24   15   16 o   7.3790   2.0170 0.2690000 4.034000 
1 1 1   24   15   17 o   36.460   0.6800 1.403000 1.360000 
1 1 1   24   15   18 o   21.530   1.0570 3.860000 2.115000 
1 1 1   24   15   19 o   7.1320   2.0350 -0.5284000 4.069000 
1 1 1   24   15   20 o   8.6450   2.1100 -1.496000 4.220000 
1 1 1   24   15   21 o   10.220   2.0550 -2.562000 4.110000 
1 1 1   24   15   22 o   12.890   1.7690 -9.194000 3.538000 
1 1 1   24   15   23 o   21.070   1.0920 1.031000 2.183000 
1 1 1   24   15   24 o   8.2750   2.0830 0.9481000 4.167000 
1 1 1   24   15   25 o   10.110   1.7380 8.248000 3.476000 
1 1 1   24   15   26 o   14.390   1.5640 -1.450000 3.128000 
1 1 1   24   15   27 o   5.7780   1.7780 3.117000 3.556000 
1 1 1   24   16    0 o   25.270   1.0800 -0.000000 0.000000 
1 1 1   24   16    1 o   20.980   0.8852 0.3133000 1.770000 
1 1 1   24   16    2 o   16.350   1.1630 4.800000 2.326000 
1 1 1   24   16    3 o   8.3510   1.8170 3.368000 3.634000 
1 1 1   24   16    4 o   19.310   0.9542 -0.7775000 1.908000 
1 1 1   24   16    5 o   14.720   1.3070 2.520000 2.614000 
1 1 1   24   16    6 o   12.910   1.5300 -3.070000 3.061000 
1 1 1   24   16    7 o   49.340   0.5572 -2.206000 1.114000 
1 1 1   24   16    8 o   27.690   0.7394 -1.412000 1.479000 
1 1 1   24   16    9 o   40.080   0.5948 2.006000 1.190000 
1 1 1   24   16   10 o   23.370   0.8536 2.203000 1.707000 
1 1 1   24   16   11 o   17.920   1.1200 2.558000 2.239000 
1 1 1   24   16   12 o   8.3490   2.0750 0.8403000 4.150000 
1 1 1   24   16   13 o   6.5460   1.8790 -2.164000 3.758000 
1 1 1   24   16   14 o   21.300   1.0860 -0.1306000 2.172000 
1 1 1   24   16   15 o   20.560   1.1240 0.1301000 2.247000 
1 1 1   24   16   16 o   10.030   1.9210 -5.523000 3.841000 
1 1 1   24   16   17 f   29.170   0.8510 0.2231000 1.702000 
1 1 1   24   16   18 o   12.270   1.9460 -1.887000 3.891000 
1 1 1   24   16   19 o   12.450   1.9320 -1.030000 3.865000 
1 1 1   24   16   20 o   14.820   1.7040 -4.469000 3.408000 
1 1 1   24   16   21 o   6.2580   1.9200 2.462000 3.841000 
1 1 1   24   16   22 o   11.530   1.9690 -3.829000 3.937000 
1 1 1   24   16   23 o   10.410   1.9890 5.082000 3.977000 
1 1 1   24   16   24 o   8.7590   2.0880 -1.120000 4.175000 
1 1 1   24   16   25 f   7.2570   1.9700 3.585000 3.940000 
1 1 1   24   16   26 o   7.6660   2.0520 0.7726000 4.104000 
1 1 1   24   17    0 o   37.620   0.8779 -0.000000 0.000000 
1 1 1   24   17    1 o   25.490   0.8107 2.067000 1.621000 
1 1 1   24   17    2 o   7.7040   1.9530 -1.242000 3.906000 
1 1 1   24   17    3 o   21.120   0.9573 -2.158000 1.915000 
1 1 1   24   17    4 o   16.940   1.2020 1.170000 2.405000 
1 1 1   24   17    5 o   20.780   1.0650 1.314000 2.129000 
1 1 1   24   17    6 o   42.970   0.5930 -1.664000 1.186000 
1 1 1   24   17    7 o   21.740   0.9841 1.174000 1.968000 
1 1 1   24   17    8 o   39.790   0.6239 0.8526000 1.248000 
1 1 1   24   17    9 o   10.690   1.7910 5.946000 3.582000 
1 1 1   24   17   10 o   15.540   1.3600 1.618000 2.721000 
1 1 1   24   17   11 o   9.4790   2.0220 1.332000 4.043000 
1 1 1   24   17   12 o   11.170   1.8880 -2.379000 3.776000 
1 1 1   24   17   13 o   18.750   1.2780 0.5687000 2.555000 
1 1 1   24   17   14 o   17.570   1.4000 4.458000 2.800000 
1 1 1   24   17   15 o   13.410   1.8330 3.946000 3.665000 
1 1 1   24   17   16 o   10.720   2.1230 -0.1338000 4.245000 
1 1 1   24   17   17 o   12.240   1.9780 3.281000 3.957000 
1 1 1   24   17   18 f   6.2480   1.9390 0.2263000 3.878000 
1 1 1   24   17   19 o   12.770   1.8740 1.086000 3.748000 
1 1 1   24   17   20 o   16.830   1.4400 -0.2681000E-01 2.880000 
1 1 1   24   17   21 o   8.7540   2.1430 2.778000 4.286000 
1 1 1   24   17   22 o   7.6390   2.0650 -1.177000 4.130000 
1 1 1   24   17   23 o   7.4180   2.0470 2.914000 4.094000 
1 1 1   24   17   24 o   6.1730   1.8680 -2.029000 3.736000 
1 1 1   24   17   25 o   14.090   1.6830 0.4915000 3.366000 
1 1 1   24   18    0 o   4.3780   2.1260 -0.000000 0.000000 
1 1 1   24   18    1 o   15.990   1.3580 -0.7254000 2.717000 
1 1 1   24   18    2 o   26.880   0.8370 -0.7229000 1.674000 
1 1 1   24   18    3 o   31.000   0.7468 -0.4588000 1.494000 
1 1 1   24   18    4 o   13.170   1.6760 -0.4076000E-01 3.352000 
1 1 1   24   18    5 o   18.260   1.2230 1.166000 2.447000 
1 1 1   24   18    6 o   26.570   0.9535 -0.2715000 1.907000 
1 1 1   24   18    7 o   15.840   1.4340 0.5512000 2.868000 
1 1 1   24   18    8 o   16.170   1.4550 4.093000 2.909000 
1 1 1   24   18    9 o   19.050   1.2000 2.125000 2.400000 
1 1 1   24   18   10 o   15.390   1.5020 -0.1774000 3.005000 
1 1 1   24   18   11 o   12.650   1.8400 1.127000 3.680000 
1 1 1   24   18   12 o   14.510   1.6400 2.630000 3.279000 
1 1 1   24   18   13 o   10.760   2.0330 -2.827000 4.066000 
1 1 1   24   18   14 o   16.950   1.3680 1.542000 2.737000 
1 1 1   24   18   15 o   10.310   2.0090 6.769000 4.018000 
1 1 1   24   18   16 o   7.1890   2.0510 -1.419000 4.101000 
1 1 1   24   18   17 o   9.3780   1.9930 -4.765000 3.986000 
1 1 1   24   18   18 o   8.2200   2.1350 2.185000 4.271000 
1 1 1   24   18   19 o   7.2330   1.9160 -4.018000 3.832000 
1 1 1   24   18   20 o   8.9430   2.0780 -2.860000 4.157000 
1 1 1   24   18   21 o   5.8940   1.8790 0.6272000 3.759000 
1 1 1   24   18   22 o   5.6910   1.8040 -1.358000 3.607000 
1 1 1   24   18   23 o   9.6610   2.0760 -1.754000 4.153000 
1 1 1   24   19    0 o   11.220   2.9160 -0.000000 0.000000 
1 1 1   24   19    1 o   24.780   0.9609 1.387000 1.922000 
1 1 1   24   19    2 o   15.080   1.7670 -0.8716000E-01 3.534000 
1 1 1   24   19    3 o   9.9900   1.8240 7.457000 3.649000 
1 1 1   24   19    4 o   6.1400   1.9090 -0.1270000 3.818000 
1 1 1   24   19    5 o   13.280   1.8010 0.8151000 3.601000 
1 1 1   24   19    6 o   10.420   2.1000 2.858000 4.200000 
1 1 1   24   19    7 o   11.090   2.0870 -1.165000 4.173000 
1 1 1   24   19    8 o   29.470   0.8437 -0.5917000 1.687000 
1 1 1   24   19    9 o   28.860   0.8535 1.369000 1.707000 
1 1 1   24   19   10 o   9.3700   2.1050 3.067000 4.210000 
1 1 1   24   19   11 o   8.2010   2.0740 2.982000 4.149000 
1 1 1   24   19   12 o   12.420   1.9190 2.582000 3.837000 
1 1 1   24   19   13 o   12.440   1.8800 -4.588000 3.760000 
1 1 1   24   19   14 o   14.800   1.6320 -2.122000 3.263000 
1 1 1   24   19   15 o   7.8330   2.0400 3.299000 4.080000 
1 1 1   24   19   16 o   10.750   2.1450 -0.2945000 4.290000 
1 1 1   24   19   17 o   12.050   2.0180 1.104000 4.036000 
1 1 1   24   19   18 o   8.9610   1.8610 8.080000 3.721000 
1 1 1   24   19   19 o   5.3780   1.7790 0.9172000 3.559000 
1 1 1   24   19   20 o   6.4110   1.9570 -0.8940000 3.913000 
1 1 1   24   19   21 o   7.2090   2.0070 -1.848000 4.015000 
1 1 1   24   19   22 o   6.1910   2.8780      ?      ? 
1 1 1   24   20    0 f   5.8730   2.6660 -0.000000 0.000000 
1 1 1   24   20    1 o   18.810   1.3210 0.3169000 2.643000 
1 1 1   24   20    2 f   17.050   1.4740 -0.2628000 2.947000 
1 1 1   24   20    3 o   9.0700   2.1950 1.714000 4.390000 
1 1 1   24   20    4 f   8.5520   2.1200 3.208000 4.241000 
1 1 1   24   20    5 o   7.5240   2.1210 -0.2327000 4.242000 
1 1 1   24   20    6 o   11.900   1.9230 6.619000 3.845000 
1 1 1   24   20    7 o   23.500   1.0450 -1.439000 2.089000 
1 1 1   24   20    8 o   23.640   1.0490 -2.897000 2.099000 
1 1 1   24   20    9 f   6.6270   2.0050 -0.7676000 4.010000 
1 1 1   24   20   10 o   9.1230   2.1800 -1.019000 4.360000 
1 1 1   24   20   11 o   6.9750   2.0500 0.7577000 4.100000 
1 1 1   24   20   12 o   10.170   2.1000 1.937000 4.200000 
1 1 1   24   20   13 o   7.3110   1.9820 -2.942000 3.964000 
1 1 1   24   20   14 o   14.360   1.6220 -0.6959000 3.245000 
1 1 1   24   20   15 o   9.8430   2.0240 -4.121000 4.047000 
1 1 1   24   20   16 o   10.330   1.8220 -7.286000 3.645000 
1 1 1   24   20   17 o   8.4560   2.1710 1.273000 4.342000 
1 1 1   24   20   18 o   5.5550   1.8050 -0.4468000 3.610000 
1 1 1   24   20   19 o   7.1790   2.0570 -0.2426000 4.115000 
1 1 1   24   20   20 f   7.4470   2.1400 1.763000 4.281000 
1 1 1   24   21    0 o   16.260   2.2340 -0.000000 0.000000 
1 1 1   24   21    1 o   12.590   1.9830 3.089000 3.966000 
1 1 1   24   21    2 o   7.4030   2.0870 -2.570000 4.175000 
1 1 1   24   21    3 o   10.750   2.0840 -4.484000 4.169000 
1 1 1   24   21    4 o   11.590   1.9780 6.367000 3.956000 
1 1 1   24   21    5 o   10.620   2.1200 -3.232000 4.239000 
1 1 1   24   21    6 o   9.0390   2.0320 -5.248000 4.064000 
1 1 1   24   21    7 o   7.5690   2.1250 -1.435000 4.249000 
1 1 1   24   21    8 o   8.3520   2.1750 -1.202000 4.350000 
1 1 1   24   21    9 o   7.6090   2.1070 1.384000 4.214000 
1 1 1   24   21   10 o   8.3360   2.0470 4.255000 4.094000 
1 1 1   24   21   11 o   9.2640   2.1580 -1.567000 4.315000 
1 1 1   24   21   12 o   9.4760   2.1340 -1.337000 4.267000 
1 1 1   24   21   13 o   11.610   1.9450 2.010000 3.890000 
1 1 1   24   21   14 o   9.9560   2.0370 2.894000 4.075000 
1 1 1   24   21   15 o   8.7480   2.0150 3.895000 4.030000 
1 1 1   24   21   16 o   6.5850   1.8920 2.806000 3.784000 
1 1 1   24   21   17 o   7.7520   1.9880 2.131000 3.976000 
1 1 1   24   22    0 o   5.6070   2.6010 -0.000000 0.000000 
1 1 1   24   22    1 o   8.6680   2.2180 0.9267000 4.437000 
1 1 1   24   22    2 o   10.540   2.1740 1.536000 4.349000 
1 1 1   24   22    3 o   9.5200   2.2090 2.107000 4.418000 
1 1 1   24   22    4 o   8.7510   2.0150 5.629000 4.030000 
1 1 1   24   22    5 o   7.6270   2.1390 0.2182000 4.279000 
1 1 1   24   22    6 o   7.5850   2.0980 -2.084000 4.196000 
1 1 1   24   22    7 f   12.210   2.0200 1.583000 4.040000 
1 1 1   24   22    8 o   7.3440   2.0930 0.7310000 4.185000 
1 1 1   24   22    9 o   8.8610   2.1500 1.062000 4.299000 
1 1 1   24   22   10 o   6.9890   2.0240 0.8193000 4.047000 
1 1 1   24   22   11 o   8.1690   1.9250 5.352000 3.849000 
1 1 1   24   22   12 o   6.1330   1.8500 -2.611000 3.700000 
1 1 1   24   22   13 o   4.9640   1.6530 -0.2271000E-01 3.305000 
1 1 1   24   22   14 o   5.4100   1.7440 1.319000 3.488000 
1 1 1   24   22   15 o   6.1700   1.8370 -2.886000 3.675000 
1 1 1   24   23    0 o   5.4320   2.5440 -0.000000 0.000000 
1 1 1   24   23    1 o   8.4750   2.1820 -1.793000 4.364000 
1 1 1   24   23    2 o   6.0030   1.9090 -0.6577000 3.818000 
1 1 1   24   23    3 o   7.1620   2.0820 -0.7493000 4.163000 
1 1 1   24   23    4 o   9.7670   2.0810 4.475000 4.161000 
1 1 1   24   23    5 o   9.0240   2.1380 -3.214000 4.277000 
1 1 1   24   23    6 o   12.000   2.0110 0.1226000 4.023000 
1 1 1   24   23    7 o   9.8880   2.0940 3.239000 4.189000 
1 1 1   24   23    8 o   7.8900   2.1000 -0.2646000 4.201000 
1 1 1   24   23    9 o   7.4710   2.0300 -1.344000 4.061000 
1 1 1   24   23   10 o   8.7180   2.0310 -2.569000 4.061000 
1 1 1   24   23   11 o   7.9080   2.0380 -0.9698000 4.076000 
1 1 1   24   24    0 o   8.9540   3.0670 -0.000000 0.000000 
1 1 1   24   24    1 o   11.280   2.0370 2.707000 4.074000 
1 1 1   24   24    2 o   11.260   1.8370 8.083000 3.674000 
1 1 1   24   24    3 o   7.0690   2.0460 1.020000 4.091000 
1 1 1   24   24    4 o   6.9290   1.9880 -2.448000 3.977000 
1 1 1   24   24    5 o   7.2440   2.0020 2.832000 4.004000 
1 1 1   24   24    6 o   10.240   2.1090 8.835000 4.217000 
1 1 1   25    0    1 o   55.550   0.6013 -0.000000 0.000000 
1 1 1   25    0    2 o   48.500   0.5362 -0.000000 0.000000 
1 1 1   25    0    3 o   25.250   0.4476 -0.000000 0.000000 
1 1 1   25    0    4 o  157.600   1.8970 -0.000000 0.000000 
1 1 1   25    0    5 o   4.8680   1.4500 -0.000000 0.000000 
1 1 1   25    0    6 o  153.500   1.8490 -0.000000 0.000000 
1 1 1   25    0    7 o   61.550   0.7599 -0.000000 0.000000 
1 1 1   25    0    8 o   45.410   0.5846 -0.000000 0.000000 
1 1 1   25    0    9 o   12.360   0.6253 -0.000000 0.000000 
1 1 1   25    0   10 o  110.800   1.6410 -0.000000 0.000000 
1 1 1   25    0   11 o   56.670   0.8669 -0.000000 0.000000 
1 1 1   25    0   12 o   30.170   0.5718 -0.000000 0.000000 
1 1 1   25    0   13 o   32.920   0.5960 -0.000000 0.000000 
1 1 1   25    0   14 f   4.6730   1.6310 -0.000000 0.000000 
1 1 1   25    0   15 o   18.230   0.6520 -0.000000 0.000000 
1 1 1   25    0   16 o   29.760   0.5990 -0.000000 0.000000 
1 1 1   25    0   17 o   82.890   1.2460 -0.000000 0.000000 
1 1 1   25    0   18 o   13.890   0.7330 -0.000000 0.000000 
1 1 1   25    0   19 o   55.330   0.8737 -0.000000 0.000000 
1 1 1   25    0   20 o   29.910   0.6082 -0.000000 0.000000 
1 1 1   25    0   21 o   29.650   1.1710 -0.000000 0.000000 
1 1 1   25    0   22 o   7.2520   2.8210 -0.000000 0.000000 
1 1 1   25    0   23 o   20.060   1.6450 -0.000000 0.000000 
1 1 1   25    0   24 o   13.650   2.5500 -0.000000 0.000000 
1 1 1   25    0   25 o   69.520   1.5750 -0.000000 0.000000 
1 1 1   25    0   26 o   26.550   1.6140 -0.000000 0.000000 
1 1 1   25    0   27 o   21.880   2.0470 -0.000000 0.000000 
1 1 1   25    0   28 o   16.380   2.8490 -0.000000 0.000000 
1 1 1   25    0   29 o   10.950   3.5810 -0.000000 0.000000 
1 1 1   25    0   30 o   7.8590   3.3350 -0.000000 0.000000 
1 1 1   25    0   31 o   10.510   3.6360 -0.000000 0.000000 
1 1 1   25    0   32 o   9.9250   3.5970 -0.000000 0.000000 
1 1 1   25    0   33 o   8.8730   3.4950 -0.000000 0.000000 
1 1 1   25    0   34 o   12.910   3.5450 -0.000000 0.000000 
1 1 1   25    0   35 o   7.1020   3.1910 -0.000000 0.000000 
1 1 1   25    1    0 o   58.590   0.8926 -0.000000 0.000000 
1 1 1   25    1    1 o   49.090   0.5421 2.453000 1.084000 
1 1 1   25    1    2 o   34.260   0.4295 -8.197000 0.8590000 
1 1 1   25    1    3 o   79.910   0.8431 -2.334000 1.686000 
1 1 1   25    1    4 o   58.790   0.6327 -1.503000 1.265000 
1 1 1   25    1    5 o   36.880   0.4411 -1.611000 0.8823000 
1 1 1   25    1    6 o   4.5150   1.1580 1.057000 2.316000 
1 1 1   25    1    7 o   60.640   0.6511 2.897000 1.302000 
1 1 1   25    1    8 o   34.760   0.4346 -7.353000 0.8691000 
1 1 1   25    1    9 o   62.310   0.6674 0.4985000 1.335000 
1 1 1   25    1   10 o   67.780   0.8317      ?      ? 
1 1 1   25    1   11 o   58.720   0.5773 -0.4837000 1.155000 
1 1 1   25    1   12 o   30.540   0.5730      ?      ? 
1 1 1   25    1   13 o   27.670   0.4412      ?      ? 
1 1 1   25    1   14 o   37.910   0.4151 -0.2091000 0.8301000 
1 1 1   25    1   15 o   32.740   0.3913 5.227000 0.7827000 
1 1 1   25    1   16 o   32.290   0.4778      ?      ? 
1 1 1   25    1   17 o   14.290   0.5145 1.628000 1.029000 
1 1 1   25    1   18 o   9.7750   0.7315 1.009000 1.463000 
1 1 1   25    1   19 o   38.820   0.4359 0.2208000 0.8718000 
1 1 1   25    1   20 o   77.280   0.7282 -1.139000 1.456000 
1 1 1   25    1   21 o   51.840   0.5920 -0.7034000 1.184000 
1 1 1   25    1   22 o   36.720   0.6727      ?      ? 
1 1 1   25    1   23 o   33.880   0.8535 -3.116000 1.707000 
1 1 1   25    1   24 o   19.630   1.2450 0.4443000 2.490000 
1 1 1   25    1   25 o   11.970   2.0810 3.446000 4.161000 
1 1 1   25    1   26 o   24.640   1.2270 3.470000 2.454000 
1 1 1   25    1   27 o   26.590   1.1770 0.2530000 2.355000 
1 1 1   25    1   28 o   19.880   1.7080 -3.473000 3.415000 
1 1 1   25    1   29 o   28.400   1.2410 2.015000 2.481000 
1 1 1   25    1   30 o   20.330   1.7520 -3.161000 3.503000 
1 1 1   25    1   31 o   9.5230   2.4590 -4.198000 4.919000 
1 1 1   25    1   32 o   12.680   2.4340 -3.734000 4.869000 
1 1 1   25    1   33 o   9.0780   2.2640 -6.426000 4.528000 
1 1 1   25    1   34 o   13.610   2.2850 -4.784000 4.570000 
1 1 1   25    1   35 o   7.8190   2.3750 -1.373000 4.750000 
1 1 1   25    2    0 o   72.390   1.0860 -0.000000 0.000000 
1 1 1   25    2    1 o   78.260   0.8273 5.321000 1.655000 
1 1 1   25    2    2 o  100.100   1.0490 5.699000 2.099000 
1 1 1   25    2    3 o  121.700   1.2720 1.378000 2.543000 
1 1 1   25    2    4 o   33.430   0.4234 1.842000 0.8468000 
1 1 1   25    2    5 o  118.900   1.2430 -0.2509000 2.486000 
1 1 1   25    2    6 o   56.300   0.6118 7.692000 1.224000 
1 1 1   25    2    7 o   41.740   0.4822 0.9432000 0.9644000 
1 1 1   25    2    8 o   46.590   0.5243 -3.830000 1.049000 
1 1 1   25    2    9 o   13.450   0.5791 -1.058000 1.158000 
1 1 1   25    2   10 o   74.360   0.7883 -1.265000 1.577000 
1 1 1   25    2   11 o   52.330   0.5762 0.9089000 1.152000 
1 1 1   25    2   12 o   14.410   0.5671 -1.218000 1.134000 
1 1 1   25    2   13 o   35.850   0.4474 -0.2889000 0.8947000 
1 1 1   25    2   14 o   17.880   0.5231 5.253000 1.046000 
1 1 1   25    2   15 o   22.190   0.4606 0.4898000 0.9212000 
1 1 1   25    2   16 o   47.320   0.5511 4.334000 1.102000 
1 1 1   25    2   17 o   47.420   0.4961 -0.7814000 0.9921000 
1 1 1   25    2   18 o   24.350   0.4610 -1.092000 0.9220000 
1 1 1   25    2   19 o   24.310   0.4119 -0.5027000 0.8237000 
1 1 1   25    2   20 o   47.120   0.4763 -0.3527000 0.9526000 
1 1 1   25    2   21 o   35.150   0.4255 3.474000 0.8509000 
1 1 1   25    2   22 o   24.400   0.5089 0.5569000 1.018000 
1 1 1   25    2   23 o   45.420   0.6550 -0.8619000 1.310000 
1 1 1   25    2   24 o   14.680   1.2510      ?      ? 
1 1 1   25    2   25 o   23.010   0.6790      ?      ? 
1 1 1   25    2   26 o   17.880   1.1480 -2.504000 2.297000 
1 1 1   25    2   27 o   31.110   0.8117 1.665000 1.623000 
1 1 1   25    2   28 o   8.2430   1.8600 -2.823000 3.721000 
1 1 1   25    2   29 o   17.160   1.9140 2.117000 3.828000 
1 1 1   25    2   30 o   18.700   1.9120 -5.133000 3.825000 
1 1 1   25    2   31 o   13.320   2.4500 3.428000 4.899000 
1 1 1   25    2   32 o   10.810   2.4910 -2.484000 4.982000 
1 1 1   25    2   33 o   11.310   2.5650 3.679000 5.131000 
1 1 1   25    2   34 o   6.8100   2.1900 0.5568000 4.380000 
1 1 1   25    3    0 o   45.350   0.7314 -0.000000 0.000000 
1 1 1   25    3    1 o   15.980   0.5619 6.401000 1.124000 
1 1 1   25    3    2 o  105.000   1.1020 7.852000 2.204000 
1 1 1   25    3    3 o   67.770   0.7257 -0.2991000 1.451000 
1 1 1   25    3    4 o   44.070   0.5094 -1.196000 1.019000 
1 1 1   25    3    5 o   34.840   0.4497 -4.732000 0.8994000 
1 1 1   25    3    6 o   67.900   0.7254 -1.494000 1.451000 
1 1 1   25    3    7 o   80.370   0.8509 -5.945000 1.702000 
1 1 1   25    3    8 o   71.110   0.7586 -3.570000 1.517000 
1 1 1   25    3    9 o   14.410   0.6157 1.904000 1.231000 
1 1 1   25    3   10 o  109.200   1.1450 5.252000 2.290000 
1 1 1   25    3   11 o  106.400   1.1170 6.550000 2.234000 
1 1 1   25    3   12 o   29.150   0.4466 1.078000 0.8931000 
1 1 1   25    3   13 o   13.860   0.6401 0.1082000 1.280000 
1 1 1   25    3   14 o   46.260   0.5381 1.785000 1.076000 
1 1 1   25    3   15 o   40.720   0.4617 -5.314000 0.9234000 
1 1 1   25    3   16 o   33.030   0.4370 0.6789000 0.8740000 
1 1 1   25    3   17 o   18.820   0.5129 -1.751000 1.026000 
1 1 1   25    3   18 o   23.270   0.4736 1.880000 0.9472000 
1 1 1   25    3   19 o   21.550   0.5078 0.8528000 1.016000 
1 1 1   25    3   20 o   37.820   0.4704 3.488000 0.9408000 
1 1 1   25    3   21 o   34.940   0.4631 -4.366000 0.9262000 
1 1 1   25    3   22 o   33.210   0.4700 -0.3301000 0.9401000 
1 1 1   25    3   23 o   65.780   0.6666 -0.6897000E-01 1.333000 
1 1 1   25    3   24 o   13.130   0.8600 -0.5032000 1.720000 
1 1 1   25    3   25 o   42.460   0.5772 -0.9098000 1.154000 
1 1 1   25    3   27 o   14.640   1.7490 2.476000 3.499000 
1 1 1   25    3   28 o   49.660   0.8960      ?      ? 
1 1 1   25    3   29 o   35.710   0.8221      ?      ? 
1 1 1   25    3   30 f   13.580   1.4300      ?      ? 
1 1 1   25    3   31 o   25.170   0.8663      ?      ? 
1 1 1   25    3   32 o   6.6940   1.9410 -1.429000 3.882000 
1 1 1   25    3   33 o   5.5900   1.6590 0.9798000 3.319000 
1 1 1   25    3   34 o   9.8370   1.9520 -4.035000 3.904000 
1 1 1   25    4    0 o   5.8330   1.8950 -0.000000 0.000000 
1 1 1   25    4    1 o   5.4780   1.2280 3.011000 2.455000 
1 1 1   25    4    2 f  100.300   1.0540 0.5217000 2.108000 
1 1 1   25    4    3 o   42.860   0.5094 -2.479000 1.019000 
1 1 1   25    4    4 o   38.020   0.4812 -7.137000 0.9624000 
1 1 1   25    4    5 o   70.020   0.7497 1.783000 1.499000 
1 1 1   25    4    6 o   66.110   0.7122 -0.2792000 1.424000 
1 1 1   25    4    7 o   52.490   0.5869 7.059000 1.174000 
1 1 1   25    4    8 o   31.110   0.4620 -5.142000 0.9239000 
1 1 1   25    4    9 f   43.430   0.5178 -0.5107000 1.036000 
1 1 1   25    4   10 o   75.880   0.8085 0.2652000 1.617000 
1 1 1   25    4   11 o   82.140   0.8703 -2.107000 1.741000 
1 1 1   25    4   12 o   44.010   0.7376      ?      ? 
1 1 1   25    4   13 o   53.560   0.6005 -5.761000 1.201000 
1 1 1   25    4   14 o   30.340   0.4407 4.620000 0.8815000 
1 1 1   25    4   15 o   16.410   0.6492 4.432000 1.298000 
1 1 1   25    4   16 o   24.930   0.4666 -3.679000 0.9332000 
1 1 1   25    4   17 o   16.600   0.6242 -1.619000 1.248000 
1 1 1   25    4   18 o   25.180   0.5504 -5.997000 1.101000 
1 1 1   25    4   19 o   30.720   0.5266 -1.343000 1.053000 
1 1 1   25    4   20 o   20.000   0.6765 5.319000 1.353000 
1 1 1   25    4   21 f   38.790   0.4940 2.356000 0.9879000 
1 1 1   25    4   22 o   63.380   0.7106 3.322000 1.421000 
1 1 1   25    4   23 o   57.910   0.6108 -2.726000 1.222000 
1 1 1   25    4   24 o   69.050   0.7699 0.1025000 1.540000 
1 1 1   25    4   25 o   40.840   0.5903 0.2030000 1.181000 
1 1 1   25    4   26 o   5.0370   1.5100 -2.797000 3.021000 
1 1 1   25    4   27 o   59.200   0.6377 0.6699000E-02 1.275000 
1 1 1   25    4   28 o   8.9870   1.9590 -1.051000 3.918000 
1 1 1   25    4   29 o   12.200   1.8160 9.355000 3.632000 
1 1 1   25    4   30 o   25.040   1.1300 -1.407000 2.261000 
1 1 1   25    4   31 o   11.360   1.7900 8.555000 3.579000 
1 1 1   25    4   32 o   20.260   1.3560 -0.7959000 2.712000 
1 1 1   25    4   33 o   5.6070   2.3380      ?      ? 
1 1 1   25    4   34 o   8.4800   2.3450      ?      ? 
1 1 1   25    5    0 o   36.910   0.6830 -0.000000 0.000000 
1 1 1   25    5    1 o   31.930   0.4784 4.130000 0.9567000 
1 1 1   25    5    2 o   67.140   0.7262 2.253000 1.452000 
1 1 1   25    5    3 o   99.960   1.0520 5.478000 2.105000 
1 1 1   25    5    4 o   50.210   0.5769 -4.566000 1.154000 
1 1 1   25    5    5 o   52.420   0.5924 -1.683000 1.185000 
1 1 1   25    5    6 o   18.720   0.8233      ?      ? 
1 1 1   25    5    7 o   73.800   0.7903 1.558000 1.581000 
1 1 1   25    5    8 o   46.190   0.5487 -3.167000 1.097000 
1 1 1   25    5    9 o   42.710   0.5255 2.055000 1.051000 
1 1 1   25    5   10 o  103.300   1.2540      ?      ? 
1 1 1   25    5   11 o   67.150   0.6660 -0.8671000 1.332000 
1 1 1   25    5   12 o   6.7110   1.3310 2.164000 2.662000 
1 1 1   25    5   13 o   32.270   0.4511 -0.3555000 0.9023000 
1 1 1   25    5   14 o   21.470   0.5375 1.668000 1.075000 
1 1 1   25    5   15 o   13.790   0.8036 3.090000 1.607000 
1 1 1   25    5   16 o   32.830   0.4655 -2.228000 0.9309000 
1 1 1   25    5   17 o   55.350   0.5737 -0.3129000 1.147000 
1 1 1   25    5   18 o   53.120   0.5616 -1.073000 1.123000 
1 1 1   25    5   19 o   14.890   0.8245 -2.850000 1.649000 
1 1 1   25    5   20 o   22.700   0.6240 3.384000 1.248000 
1 1 1   25    5   21 o   20.160   0.6764 1.001000 1.353000 
1 1 1   25    5   22 o   50.580   0.5662 -1.398000 1.132000 
1 1 1   25    5   23 o   24.400   0.6664 -2.703000 1.333000 
1 1 1   25    5   24 o   10.510   1.3880 0.9193000 2.776000 
1 1 1   25    5   25 o   21.100   0.7580 1.645000 1.516000 
1 1 1   25    5   26 o   13.980   1.4330 6.194000 2.867000 
1 1 1   25    5   27 o   20.680   0.8508 1.169000 1.702000 
1 1 1   25    5   28 o   41.540   0.5943 1.042000 1.189000 
1 1 1   25    5   29 o   21.330   0.8405 1.599000 1.681000 
1 1 1   25    5   30 o   12.710   1.8700 -3.865000 3.740000 
1 1 1   25    5   31 o   13.350   1.8490 -2.772000 3.698000 
1 1 1   25    5   32 o   12.510   1.8180 -2.864000 3.636000 
1 1 1   25    5   33 o   12.640   1.7450 -0.9833000 3.489000 
1 1 1   25    5   34 o   11.000   2.0660 2.019000 4.132000 
1 1 1   25    6    0 o   48.830   0.8125 -0.000000 0.000000 
1 1 1   25    6    1 o   50.280   0.5824 0.6698000 1.165000 
1 1 1   25    6    2 o   56.760   0.6361 -1.105000 1.272000 
1 1 1   25    6    3 o   99.550   1.0500 -0.3570000 2.099000 
1 1 1   25    6    4 o   47.890   0.5680 -0.7232000 1.136000 
1 1 1   25    6    5 o   36.520   0.5119 -0.2396000 1.024000 
1 1 1   25    6    6 o   71.870   0.7770 -2.795000 1.554000 
1 1 1   25    6    7 o   26.360   0.4823 2.155000 0.9646000 
1 1 1   25    6    8 o   41.440   0.4844 9.094000 0.9688000 
1 1 1   25    6    9 o   78.460   0.7693 -1.382000 1.539000 
1 1 1   25    6   10 o   57.440   0.5880 2.102000 1.176000 
1 1 1   25    6   11 o   22.540   0.5345 -1.048000 1.069000 
1 1 1   25    6   12 o   21.170   0.5625 -3.924000 1.125000 
1 1 1   25    6   13 o   30.560   0.4806 4.320000 0.9611000 
1 1 1   25    6   14 o   39.960   0.4834 0.6480000 0.9669000 
1 1 1   25    6   15 o   20.070   0.6404 6.028000 1.281000 
1 1 1   25    6   16 o   24.480   0.5402 -0.1437000 1.080000 
1 1 1   25    6   17 o   35.570   0.4939 0.6143000 0.9878000 
1 1 1   25    6   18 o   16.090   0.7844 -0.4439000 1.569000 
1 1 1   25    6   19 o   28.500   0.5474 4.832000 1.095000 
1 1 1   25    6   20 o   15.100   0.9440 3.535000 1.888000 
1 1 1   25    6   21 o   45.310   0.5506 -0.3610000 1.101000 
1 1 1   25    6   22 o   19.630   0.7923 2.257000 1.585000 
1 1 1   25    6   23 o   34.060   0.6772      ?      ? 
1 1 1   25    6   24 f   5.6580   1.6590 -0.8150000 3.317000 
1 1 1   25    6   25 o   29.520   0.6452 0.7082000 1.290000 
1 1 1   25    6   26 o   16.960   1.0840 2.421000 2.169000 
1 1 1   25    6   27 o   30.920   0.6580 -0.6445000 1.316000 
1 1 1   25    6   28 o   18.710   0.9711 0.9160000 1.942000 
1 1 1   25    6   29 o   16.740   1.2820 6.578000 2.565000 
1 1 1   25    6   30 o   22.590   0.8520 0.6180000 1.704000 
1 1 1   25    6   31 o   6.9290   1.9150 0.5069000E-01 3.829000 
1 1 1   25    6   32 o   13.720   1.8440 4.114000 3.687000 
1 1 1   25    6   33 o   11.330   1.9090 -2.628000 3.819000 
1 1 1   25    7    0 o   57.650   0.9254 -0.000000 0.000000 
1 1 1   25    7    1 o   15.790   0.7921 -4.589000 1.584000 
1 1 1   25    7    2 o   36.390   0.5311 3.928000 1.062000 
1 1 1   25    7    3 o   13.510   0.8926 -7.402000 1.785000 
1 1 1   25    7    4 f   18.830   0.6193 -6.289000 1.239000 
1 1 1   25    7    5 o   78.930   0.7754 -0.5293000 1.551000 
1 1 1   25    7    6 o   47.940   0.5337 -2.761000 1.067000 
1 1 1   25    7    7 o   21.390   0.6357 0.5636000 1.271000 
1 1 1   25    7    8 o  102.300   0.9847 2.426000 1.969000 
1 1 1   25    7    9 f   7.5020   1.4690 -0.4834000 2.938000 
1 1 1   25    7   10 o   47.750   0.5341 2.597000 1.068000 
1 1 1   25    7   11 o   7.7260   1.4860 -1.473000 2.972000 
1 1 1   25    7   12 o   25.660   0.5503 -1.548000 1.101000 
1 1 1   25    7   13 o   7.5130   1.5270 -0.8472000 3.054000 
1 1 1   25    7   14 o   16.900   0.7498 1.481000 1.500000 
1 1 1   25    7   15 f   33.960   0.4431 2.120000 0.8862000 
1 1 1   25    7   16 o   14.580   0.7771 0.9873000 1.554000 
1 1 1   25    7   17 o   18.780   0.6339 1.089000 1.268000 
1 1 1   25    7   18 o   27.720   0.5806 1.062000 1.161000 
1 1 1   25    7   19 o   8.9200   1.3850 2.731000 2.771000 
1 1 1   25    7   20 o   45.960   0.4966 4.509000 0.9931000 
1 1 1   25    7   21 o   50.570   0.5180 -3.614000 1.036000 
1 1 1   25    7   22 o   15.880   0.9569 0.2898000E-01 1.914000 
1 1 1   25    7   23 o   53.180   0.5372 -1.137000 1.074000 
1 1 1   25    7   24 o   27.910   0.5531 1.072000 1.106000 
1 1 1   25    7   25 o   25.010   0.6097 0.4655000 1.219000 
1 1 1   25    7   26 o   19.470   0.7765 2.944000 1.553000 
1 1 1   25    7   27 o   28.550   0.5878 0.4463000 1.176000 
1 1 1   25    7   28 o   15.850   1.0620 -1.342000 2.125000 
1 1 1   25    7   29 o   12.190   1.2540 2.033000 2.509000 
1 1 1   25    7   30 o   6.2980   1.6510 1.533000 3.302000 
1 1 1   25    7   31 o   21.410   0.6953 -2.260000 1.391000 
1 1 1   25    7   32 o   15.770   0.9444 2.498000 1.889000 
1 1 1   25    7   33 o   7.5920   1.6280 1.910000 3.255000 
1 1 1   25    8    0 o   25.050   0.6966 -0.000000 0.000000 
1 1 1   25    8    1 o   18.800   0.7225 -0.1605000 1.445000 
1 1 1   25    8    2 o   51.190   0.5682 -3.627000 1.136000 
1 1 1   25    8    3 o   7.4270   1.5070 1.167000 3.015000 
1 1 1   25    8    4 o   6.3010   1.5050 1.878000 3.011000 
1 1 1   25    8    5 o   30.230   0.5212 -0.3156000 1.042000 
1 1 1   25    8    6 o   23.250   0.5882 -1.844000 1.176000 
1 1 1   25    8    7 o   41.360   0.5126 0.4982000 1.025000 
1 1 1   25    8    8 o   40.860   0.5165 -4.365000 1.033000 
1 1 1   25    8    9 o   26.760   0.4946 -2.349000 0.9891000 
1 1 1   25    8   10 o   4.8220   1.3880 -1.385000 2.777000 
1 1 1   25    8   11 o   37.480   0.4566 0.3016000E-01 0.9133000 
1 1 1   25    8   12 o   17.950   0.6929 7.075000 1.386000 
1 1 1   25    8   13 o   36.570   0.4575 -3.704000 0.9149000 
1 1 1   25    8   14 o   25.750   0.5102 4.667000 1.020000 
1 1 1   25    8   15 o   7.1720   1.6230 2.943000 3.245000 
1 1 1   25    8   16 o   20.230   0.6407 4.395000 1.281000 
1 1 1   25    8   17 o   65.160   0.6019 -1.499000 1.204000 
1 1 1   25    8   18 o   39.060   0.4905 1.652000 0.9809000 
1 1 1   25    8   19 o   30.940   0.5237 0.6720000 1.047000 
1 1 1   25    8   20 o   25.920   0.5848 0.3904000 1.170000 
1 1 1   25    8   21 o   50.220   0.5339 -0.5896000 1.068000 
1 1 1   25    8   22 o   16.040   0.9359 -3.031000 1.872000 
1 1 1   25    8   23 o   14.640   1.0220 0.6006000 2.045000 
1 1 1   25    8   24 f   40.160   0.5303 -0.2057000 1.061000 
1 1 1   25    8   25 o   40.350   0.5373 0.6385000 1.075000 
1 1 1   25    8   26 o   18.840   0.8664 -1.298000 1.733000 
1 1 1   25    8   27 o   24.900   0.8199 5.576000 1.640000 
1 1 1   25    8   28 o   15.810   1.0410 2.552000 2.081000 
1 1 1   25    8   29 o   24.380   0.6887 0.4740000 1.377000 
1 1 1   25    8   30 o   24.230   0.6747 -0.5885000 1.349000 
1 1 1   25    8   31 o   14.270   1.0640 1.441000 2.128000 
1 1 1   25    8   32 f   7.5090   1.5980 2.865000 3.197000 
1 1 1   25    8   33 o   5.0430   1.5220 0.7060000 3.044000 
1 1 1   25    9    0 o   65.530   0.8505 -0.000000 0.000000 
1 1 1   25    9    1 o   62.160   0.5793 1.028000 1.159000 
1 1 1   25    9    2 o   7.8300   1.4850 2.359000 2.969000 
1 1 1   25    9    3 o   36.290   0.4802 4.781000 0.9604000 
1 1 1   25    9    4 o   41.240   0.4832 0.9736000 0.9665000 
1 1 1   25    9    5 o   30.010   0.4727 -2.635000 0.9453000 
1 1 1   25    9    6 o   25.700   0.5023 1.181000 1.005000 
1 1 1   25    9    7 o   27.870   0.5015 4.571000 1.003000 
1 1 1   25    9    8 o   34.040   0.4730 -1.286000 0.9460000 
1 1 1   25    9    9 o   50.500   0.5085 -0.3963000 1.017000 
1 1 1   25    9   10 o   14.000   0.8797 2.535000 1.759000 
1 1 1   25    9   11 o   70.260   0.6385 4.728000 1.277000 
1 1 1   25    9   12 o   31.630   0.4895 -2.423000 0.9789000 
1 1 1   25    9   13 o   16.890   0.8035 -0.3322000 1.607000 
1 1 1   25    9   14 o   18.150   0.7612 -2.123000 1.522000 
1 1 1   25    9   15 o   34.410   0.5596 2.419000 1.119000 
1 1 1   25    9   16 o   35.270   0.5041 -0.1089000 1.008000 
1 1 1   25    9   17 o   32.010   0.6118 -3.943000 1.224000 
1 1 1   25    9   18 f   8.4370   1.5990 -2.006000 3.197000 
1 1 1   25    9   19 o   42.400   0.5196 -2.326000 1.039000 
1 1 1   25    9   20 o   50.190   0.5442 1.980000 1.088000 
1 1 1   25    9   21 o   20.740   0.7737 2.170000 1.547000 
1 1 1   25    9   22 o   28.440   0.7166 -0.8559000 1.433000 
1 1 1   25    9   23 o   19.090   0.8859 1.736000 1.772000 
1 1 1   25    9   24 o   25.380   0.8249 -0.9757000E-01 1.650000 
1 1 1   25    9   25 o   14.400   1.2820 -2.795000 2.564000 
1 1 1   25    9   26 o   17.780   1.0240 3.480000 2.047000 
1 1 1   25    9   27 o   19.810   0.9178 -1.365000 1.836000 
1 1 1   25    9   28 o   17.250   1.0390 -3.600000 2.077000 
1 1 1   25    9   29 o   15.960   1.0970 0.6056000E-01 2.195000 
1 1 1   25    9   30 o   9.6840   1.6680 0.1947000E-02 3.336000 
1 1 1   25    9   31 o   12.360   1.3430 4.036000 2.686000 
1 1 1   25    9   32 o   12.580   1.2140 0.4093000 2.428000 
1 1 1   25   10    0 o   57.190   0.7994 -0.000000 0.000000 
1 1 1   25   10    1 o   24.010   0.6056 1.225000 1.211000 
1 1 1   25   10    2 o   70.120   0.5992 -7.220000 1.198000 
1 1 1   25   10    3 f   28.440   0.5102 -3.774000 1.020000 
1 1 1   25   10    4 o   15.810   0.8199 -2.122000 1.640000 
1 1 1   25   10    5 o   31.390   0.4780 2.341000 0.9560000 
1 1 1   25   10    6 o   23.240   0.5711 0.9876000 1.142000 
1 1 1   25   10    7 o   19.450   0.8228 -2.059000 1.646000 
1 1 1   25   10    8 o   13.700   0.9584 -0.3305000 1.917000 
1 1 1   25   10    9 o   24.460   0.5817 -2.644000 1.163000 
1 1 1   25   10   10 o   78.440   0.6585 0.4707000 1.317000 
1 1 1   25   10   11 o   16.120   0.8485 -3.474000 1.697000 
1 1 1   25   10   12 o   35.710   0.4783 0.3136000 0.9566000 
1 1 1   25   10   13 o   25.450   0.5680 4.509000 1.136000 
1 1 1   25   10   14 o   33.420   0.5030 -1.087000 1.006000 
1 1 1   25   10   15 o   24.800   0.6443 6.282000 1.289000 
1 1 1   25   10   16 o   18.640   0.9291 2.063000 1.858000 
1 1 1   25   10   17 o   7.5910   1.6670 3.675000 3.335000 
1 1 1   25   10   18 o   26.690   0.6484 -0.2408000 1.297000 
1 1 1   25   10   19 o   18.030   0.9261 1.470000 1.852000 
1 1 1   25   10   20 o   12.310   1.5120 5.459000 3.024000 
1 1 1   25   10   21 o   34.280   0.5979 1.246000 1.196000 
1 1 1   25   10   22 o   8.8320   1.7180 -5.858000 3.436000 
1 1 1   25   10   23 o   25.900   0.7513 3.257000 1.503000 
1 1 1   25   10   24 o   13.640   1.4160 -1.090000 2.832000 
1 1 1   25   10   25 o   15.180   1.2580 -1.484000 2.516000 
1 1 1   25   10   26 o   7.5280   1.7670 4.582000 3.533000 
1 1 1   25   10   27 o   8.9370   1.8850 2.605000 3.771000 
1 1 1   25   10   28 o   18.570   1.0630 -5.161000 2.125000 
1 1 1   25   10   29 o   10.050   1.7090 4.322000 3.418000 
1 1 1   25   10   30 o   23.060   0.7842 -1.234000 1.568000 
1 1 1   25   10   31 o   9.1710   1.5780 -5.986000 3.157000 
1 1 1   25   10   32 o   6.6510   3.0230      ?      ? 
1 1 1   25   11    0 o   13.680   1.2920 -0.000000 0.000000 
1 1 1   25   11    1 o   12.370   1.0040 -1.319000 2.008000 
1 1 1   25   11    2 o   30.070   0.5340 -3.246000 1.068000 
1 1 1   25   11    3 o   27.050   0.5743 -1.327000 1.149000 
1 1 1   25   11    4 f   49.350   0.4995 -1.865000 0.9990000 
1 1 1   25   11    5 o   36.010   0.4923 -0.2122000 0.9846000 
1 1 1   25   11    6 o   12.100   1.1400 0.4360000 2.280000 
1 1 1   25   11    7 o   8.4070   1.5320 3.817000 3.064000 
1 1 1   25   11    8 o   42.250   0.4936 0.3476000 0.9872000 
1 1 1   25   11    9 o   24.630   0.6207 -1.577000 1.241000 
1 1 1   25   11   10 f   27.930   0.5684 -0.7683000E-01 1.137000 
1 1 1   25   11   11 o   21.210   0.7305 -2.998000 1.461000 
1 1 1   25   11   12 o   49.970   0.5116 0.6116000 1.023000 
1 1 1   25   11   13 o   19.030   1.0240 -4.761000 2.047000 
1 1 1   25   11   14 o   15.980   0.9564 2.305000 1.913000 
1 1 1   25   11   15 o   37.010   0.5293 0.9765000E-01 1.059000 
1 1 1   25   11   16 f   27.280   0.6395 -2.851000 1.279000 
1 1 1   25   11   17 o   20.080   0.8186 2.602000 1.637000 
1 1 1   25   11   18 o   12.410   1.5900 1.307000 3.180000 
1 1 1   25   11   19 o   17.280   1.0290 -1.270000 2.059000 
1 1 1   25   11   20 o   33.760   0.5963 0.2009000 1.193000 
1 1 1   25   11   21 o   33.160   0.6167 -2.217000 1.233000 
1 1 1   25   11   22 f   25.980   0.7435 -1.543000 1.487000 
1 1 1   25   11   23 o   6.6430   1.8320 2.445000 3.663000 
1 1 1   25   11   24 o   19.680   1.0110 0.5093000 2.023000 
1 1 1   25   11   25 o   24.280   0.8393 2.160000 1.679000 
1 1 1   25   11   26 o   13.410   1.5030 3.319000 3.006000 
1 1 1   25   11   27 o   17.730   1.1270 -1.838000 2.254000 
1 1 1   25   11   28 o   12.180   1.6410 -4.808000 3.283000 
1 1 1   25   11   29 o   12.950   1.5450 -5.628000 3.091000 
1 1 1   25   11   30 o   8.9740   1.6860 -4.980000 3.372000 
1 1 1   25   11   31 o   6.7060   1.7700 1.326000 3.540000 
1 1 1   25   12    0 o   31.580   0.6905 -0.000000 0.000000 
1 1 1   25   12    1 o   8.4920   1.5220 1.361000 3.043000 
1 1 1   25   12    2 f   45.750   0.4648 0.1923000 0.9296000 
1 1 1   25   12    3 o   12.360   1.0940 0.4217000 2.187000 
1 1 1   25   12    4 o   20.610   0.7508 0.7232000 1.502000 
1 1 1   25   12    5 o   29.170   0.5793 1.119000 1.159000 
1 1 1   25   12    6 o   34.130   0.5494 -3.668000 1.099000 
1 1 1   25   12    7 o   11.240   1.3940 -1.701000 2.788000 
1 1 1   25   12    8 o   33.190   0.5436 0.3920000 1.087000 
1 1 1   25   12    9 o   24.740   0.6664 -1.995000 1.333000 
1 1 1   25   12   10 o   41.120   0.5204 -1.935000 1.041000 
1 1 1   25   12   11 o   41.670   0.5254 0.7074000 1.051000 
1 1 1   25   12   12 f   32.350   0.5766 -1.392000 1.153000 
1 1 1   25   12   13 o   42.560   0.5326 0.8984000 1.065000 
1 1 1   25   12   14 o   22.870   0.7731 -2.961000 1.546000 
1 1 1   25   12   15 o   8.0850   1.8240 -0.1628000E-01 3.647000 
1 1 1   25   12   16 o   25.240   0.7217 2.067000 1.443000 
1 1 1   25   12   17 o   44.900   0.5607 1.397000 1.121000 
1 1 1   25   12   18 o   28.870   0.6806 -2.556000 1.361000 
1 1 1   25   12   19 o   25.990   0.7618 -0.2120000E-01 1.524000 
1 1 1   25   12   20 o   23.370   0.8659 7.477000 1.732000 
1 1 1   25   12   21 o   32.330   0.6707 3.013000 1.341000 
1 1 1   25   12   22 o   13.800   1.5110 -2.058000 3.023000 
1 1 1   25   12   23 o   14.660   1.5090 7.618000 3.017000 
1 1 1   25   12   24 o   27.140   0.7981 -0.1282000 1.596000 
1 1 1   25   12   25 o   12.970   1.7750 8.437000 3.550000 
1 1 1   25   12   26 o   8.6140   1.9440 -2.867000 3.887000 
1 1 1   25   12   27 o   20.370   1.0170 -0.6577000 2.034000 
1 1 1   25   12   28 o   10.490   1.8590 -1.174000 3.719000 
1 1 1   25   12   29 o   10.070   1.7770 -4.158000 3.554000 
1 1 1   25   12   30 o   6.4850   1.7030 -3.531000 3.406000 
1 1 1   25   13    0 o   5.9160   2.3230 -0.000000 0.000000 
1 1 1   25   13    1 o   13.380   1.1390 4.194000 2.278000 
1 1 1   25   13    2 o   23.170   0.6734 3.784000 1.347000 
1 1 1   25   13    3 o   24.110   0.6501 -1.482000 1.300000 
1 1 1   25   13    4 o   15.190   0.9824 1.869000 1.965000 
1 1 1   25   13    5 o   26.200   0.6078 -3.006000 1.216000 
1 1 1   25   13    6 o   35.020   0.5661 3.607000 1.132000 
1 1 1   25   13    7 o   10.950   1.5210 5.532000 3.043000 
1 1 1   25   13    8 o   45.470   0.5353 -2.139000 1.071000 
1 1 1   25   13    9 o   32.190   0.5962 -0.4838000 1.192000 
1 1 1   25   13   10 o   28.160   0.6462 -0.9651000 1.292000 
1 1 1   25   13   11 o   30.350   0.7579 -2.617000 1.516000 
1 1 1   25   13   12 o   16.860   1.2550 -0.1589000 2.510000 
1 1 1   25   13   13 o   10.660   1.7940 -4.451000 3.588000 
1 1 1   25   13   14 o   15.530   1.1770 1.941000 2.353000 
1 1 1   25   13   15 o   26.700   0.7454 7.069000 1.491000 
1 1 1   25   13   16 o   25.870   0.7640 2.671000 1.528000 
1 1 1   25   13   17 o   23.500   0.8548 -1.278000 1.710000 
1 1 1   25   13   18 o   13.190   1.5270 3.861000 3.054000 
1 1 1   25   13   19 o   9.1670   1.7240 7.193000 3.447000 
1 1 1   25   13   20 o   19.230   1.0850 -0.8743000E-01 2.170000 
1 1 1   25   13   21 o   21.460   1.0240 -1.229000 2.048000 
1 1 1   25   13   22 o   17.580   1.2400 0.5328000 2.481000 
1 1 1   25   13   23 o   19.690   1.1180 -3.010000 2.236000 
1 1 1   25   13   24 o   17.460   1.3680 1.762000 2.736000 
1 1 1   25   13   25 o   9.8200   2.0330 1.483000 4.066000 
1 1 1   25   13   26 o   19.430   1.1110 -1.575000 2.221000 
1 1 1   25   13   27 o   8.9850   2.0080 1.452000 4.017000 
1 1 1   25   13   28 o   13.940   1.5060 -0.9450000 3.011000 
1 1 1   25   13   29 o   10.080   1.9950 0.7357000 3.990000 
1 1 1   25   14    0 o   37.310   0.7429 -0.000000 0.000000 
1 1 1   25   14    1 o   42.470   0.5113 -4.500000 1.023000 
1 1 1   25   14    2 o   45.110   0.5055 -2.069000 1.011000 
1 1 1   25   14    3 o   40.840   0.5156 -0.4677000 1.031000 
1 1 1   25   14    4 o   37.680   0.5230 -0.3222000 1.046000 
1 1 1   25   14    5 o   73.900   0.6075 2.036000 1.215000 
1 1 1   25   14    6 o   45.110   0.5603 -0.7507000 1.121000 
1 1 1   25   14    7 o   28.940   0.6289 1.089000 1.258000 
1 1 1   25   14    8 o   27.900   0.7009 2.005000 1.402000 
1 1 1   25   14    9 o   20.260   0.9265 2.031000 1.853000 
1 1 1   25   14   10 o   29.660   0.6912 -2.952000 1.382000 
1 1 1   25   14   11 o   30.070   0.6698 -1.841000 1.340000 
1 1 1   25   14   12 o   17.630   1.0860 3.309000 2.172000 
1 1 1   25   14   13 o   15.510   1.2670 3.774000 2.533000 
1 1 1   25   14   14 o   22.490   0.8886 2.285000 1.777000 
1 1 1   25   14   15 o   9.1950   1.8460 -3.346000 3.693000 
1 1 1   25   14   16 o   35.040   0.6527 -2.085000 1.305000 
1 1 1   25   14   17 o   23.190   0.9094 -1.999000 1.819000 
1 1 1   25   14   18 o   32.670   0.7160 1.643000 1.432000 
1 1 1   25   14   19 o   26.750   0.8479 2.681000 1.696000 
1 1 1   25   14   20 o   13.900   1.6410 3.509000 3.282000 
1 1 1   25   14   21 o   11.970   1.8760 -0.2723000E-01 3.753000 
1 1 1   25   14   22 o   25.790   0.9052 -0.5913000E-04 1.810000 
1 1 1   25   14   23 o   12.480   1.8430 1.659000 3.685000 
1 1 1   25   14   24 o   7.6990   2.0430 -1.428000 4.087000 
1 1 1   25   14   25 o   16.300   1.3700 -1.914000 2.740000 
1 1 1   25   14   26 o   10.990   1.8080 5.901000 3.615000 
1 1 1   25   14   27 o   9.9140   1.6890 8.001000 3.377000 
1 1 1   25   14   28 o   15.210   1.3700 4.541000 2.740000 
1 1 1   25   15    0 o   29.000   0.9018 -0.000000 0.000000 
1 1 1   25   15    1 o   12.110   1.4550 2.898000 2.910000 
1 1 1   25   15    2 o   8.4860   1.8060 1.675000 3.612000 
1 1 1   25   15    3 o   44.780   0.5310 -1.479000 1.062000 
1 1 1   25   15    4 o   33.010   0.6074 1.658000 1.215000 
1 1 1   25   15    5 o   20.860   0.8772 -3.556000 1.754000 
1 1 1   25   15    6 o   14.630   1.2100 0.3209000 2.419000 
1 1 1   25   15    7 o   36.820   0.5760 -1.607000 1.152000 
1 1 1   25   15    8 o   13.760   1.5250 5.995000 3.051000 
1 1 1   25   15    9 o   37.890   0.5645 -1.706000 1.129000 
1 1 1   25   15   10 o   47.060   0.5908 -1.088000 1.182000 
1 1 1   25   15   11 o   22.810   0.9062 0.5684000 1.812000 
1 1 1   25   15   12 o   17.710   1.1800 0.9567000 2.359000 
1 1 1   25   15   13 o   7.4320   1.9810 2.378000 3.963000 
1 1 1   25   15   14 o   16.780   1.2680 1.032000 2.535000 
1 1 1   25   15   15 o   32.100   0.7293 -1.768000 1.459000 
1 1 1   25   15   16 o   13.150   1.6810 2.111000 3.362000 
1 1 1   25   15   17 o   16.550   1.3570 1.309000 2.714000 
1 1 1   25   15   18 o   19.700   1.1720 3.909000 2.344000 
1 1 1   25   15   19 o   9.0100   2.0270 -3.348000 4.053000 
1 1 1   25   15   20 o   7.0770   2.0420 0.3663000 4.084000 
1 1 1   25   15   21 o   6.7290   1.9850 -1.239000 3.969000 
1 1 1   25   15   22 o   15.410   1.5240 -0.6243000 3.047000 
1 1 1   25   15   23 o   8.6630   2.0360 4.096000 4.072000 
1 1 1   25   15   24 o   7.8020   2.0310 -1.730000 4.061000 
1 1 1   25   15   25 o   11.600   1.8760 2.530000 3.751000 
1 1 1   25   15   26 o   14.710   1.5150 2.525000 3.030000 
1 1 1   25   15   27 o   8.0100   1.8030 -4.900000 3.606000 
1 1 1   25   16    0 o   5.0850   2.3000 -0.000000 0.000000 
1 1 1   25   16    1 o   19.210   0.9871 -2.987000 1.974000 
1 1 1   25   16    2 o   25.560   0.7587 2.687000 1.517000 
1 1 1   25   16    3 o   26.720   0.7275 -1.690000 1.455000 
1 1 1   25   16    4 o   15.230   1.2240 -0.7806000E-02 2.448000 
1 1 1   25   16    5 f   21.840   0.8784 -0.8999000E-02 1.757000 
1 1 1   25   16    6 o   17.000   1.1330 0.6144000 2.266000 
1 1 1   25   16    7 o   19.980   0.9762 -0.7667000 1.952000 
1 1 1   25   16    8 o   15.290   1.3810 5.561000 2.762000 
1 1 1   25   16    9 o   39.400   0.5962 0.5232000 1.192000 
1 1 1   25   16   10 o   13.070   1.5590 2.626000 3.118000 
1 1 1   25   16   11 o   38.950   0.6556 -1.669000 1.311000 
1 1 1   25   16   12 o   7.4740   2.0070 -0.8601000 4.014000 
1 1 1   25   16   13 o   9.2390   1.9970 4.699000 3.993000 
1 1 1   25   16   14 o   12.890   1.8180 -3.840000 3.636000 
1 1 1   25   16   15 o   10.080   2.0940 0.1476000 4.189000 
1 1 1   25   16   16 o   12.360   1.9170 0.4237000 3.834000 
1 1 1   25   16   17 o   15.100   1.6280 4.181000 3.257000 
1 1 1   25   16   18 o   20.450   1.1860 -2.742000 2.372000 
1 1 1   25   16   19 o   9.5670   2.1450 -0.5432000 4.291000 
1 1 1   25   16   20 o   9.2590   1.9900 -4.769000 3.980000 
1 1 1   25   16   21 o   9.5430   1.9760 -4.968000 3.953000 
1 1 1   25   16   22 o   15.810   1.5280 -1.698000 3.056000 
1 1 1   25   16   23 o   9.8350   2.0970 0.7164000 4.195000 
1 1 1   25   16   24 o   9.1320   2.1200 0.6506000 4.239000 
1 1 1   25   16   25 o   7.8610   2.0370 2.932000 4.074000 
1 1 1   25   16   26 o   6.3160   1.8840 -1.435000 3.769000 
1 1 1   25   17    0 o   33.610   0.9372 -0.000000 0.000000 
1 1 1   25   17    1 o   20.850   0.9747 -0.1223000E-01 1.949000 
1 1 1   25   17    2 o   25.800   0.8036 2.699000 1.607000 
1 1 1   25   17    3 o   14.960   1.3720 -1.366000 2.744000 
1 1 1   25   17    4 o   23.530   0.8847 -1.475000 1.769000 
1 1 1   25   17    5 o   25.160   0.8450 1.932000 1.690000 
1 1 1   25   17    6 o   33.260   0.6852 1.478000 1.370000 
1 1 1   25   17    7 o   32.910   0.7011 -3.077000 1.402000 
1 1 1   25   17    8 o   21.700   0.9664 0.5053000 1.933000 
1 1 1   25   17    9 o   20.970   1.0120 0.7543000 2.025000 
1 1 1   25   17   10 o   30.130   0.7492 0.5104000 1.498000 
1 1 1   25   17   11 o   7.4970   1.9670 2.981000 3.933000 
1 1 1   25   17   12 o   15.070   1.5230 -4.455000 3.046000 
1 1 1   25   17   13 o   32.250   0.7952 4.025000 1.590000 
1 1 1   25   17   14 o   21.440   1.1670 0.4229000 2.334000 
1 1 1   25   17   15 o   14.170   1.8010 -1.964000 3.603000 
1 1 1   25   17   16 o   15.080   1.8920 10.70000 3.783000 
1 1 1   25   17   17 o   19.010   1.2920 -1.011000 2.585000 
1 1 1   25   17   18 o   12.650   1.9060 3.942000 3.812000 
1 1 1   25   17   19 o   6.6780   1.9700 -1.313000 3.940000 
1 1 1   25   17   20 o   10.940   2.0720 -1.888000 4.143000 
1 1 1   25   17   21 o   9.3160   2.1540 -0.8263000 4.308000 
1 1 1   25   17   22 o   13.370   1.7770 3.126000 3.554000 
1 1 1   25   17   23 o   16.020   1.4790 1.978000 2.958000 
1 1 1   25   17   24 o   6.8820   1.9520 -2.098000 3.905000 
1 1 1   25   17   25 o   9.6100   1.9630 -5.089000 3.926000 
1 1 1   25   18    0 o   18.270   1.7100 -0.000000 0.000000 
1 1 1   25   18    1 o   16.740   1.3240 1.802000 2.647000 
1 1 1   25   18    2 o   30.910   0.7506 0.9959000 1.501000 
1 1 1   25   18    3 o   23.250   0.9633 -0.4720000 1.927000 
1 1 1   25   18    4 o   9.4240   2.0170 -2.707000 4.035000 
1 1 1   25   18    5 o   9.6300   2.0680 -5.365000 4.136000 
1 1 1   25   18    6 o   11.670   1.9230 -0.6857000 3.845000 
1 1 1   25   18    7 o   14.630   1.5540 0.7450000 3.108000 
1 1 1   25   18    8 f   10.460   2.0460 -1.278000 4.093000 
1 1 1   25   18    9 o   13.090   1.7790 5.338000 3.557000 
1 1 1   25   18   10 o   12.940   1.8010 4.403000 3.603000 
1 1 1   25   18   11 o   25.250   0.9355 -0.6499000 1.871000 
1 1 1   25   18   12 o   13.240   1.8110 3.159000 3.622000 
1 1 1   25   18   13 o   18.120   1.3750 -6.992000 2.750000 
1 1 1   25   18   14 o   10.250   2.1800 -0.9584000E-01 4.361000 
1 1 1   25   18   15 o   11.640   2.0640 3.390000 4.128000 
1 1 1   25   18   16 o   9.4120   2.1480 3.803000 4.297000 
1 1 1   25   18   17 o   9.4030   2.1560 -0.9258000 4.313000 
1 1 1   25   18   18 o   12.060   1.9540 3.909000 3.907000 
1 1 1   25   18   19 o   5.5620   1.8140 0.9866000 3.629000 
1 1 1   25   18   20 f   9.6000   2.1600 0.7846000 4.321000 
1 1 1   25   18   21 o   8.3510   2.1080 -1.778000 4.215000 
1 1 1   25   18   22 o   4.7860   1.6260 -0.1051000 3.252000 
1 1 1   25   18   23 o   6.6050   1.9140 -2.065000 3.827000 
1 1 1   25   19    0 o   25.260   1.3470 -0.000000 0.000000 
1 1 1   25   19    1 o   21.020   1.1130 -1.065000 2.225000 
1 1 1   25   19    2 o   21.690   1.1020 1.293000 2.204000 
1 1 1   25   19    3 o   10.880   2.1070 2.804000 4.215000 
1 1 1   25   19    4 o   17.390   1.3410 -0.1920000 2.683000 
1 1 1   25   19    5 o   6.2380   1.9260 0.7972000 3.851000 
1 1 1   25   19    6 o   15.390   1.5730 0.2459000 3.146000 
1 1 1   25   19    7 f   16.380   1.4880 -0.6585000 2.976000 
1 1 1   25   19    8 o   16.390   1.5190 -2.642000 3.039000 
1 1 1   25   19    9 o   12.220   2.0940 0.2487000 4.187000 
1 1 1   25   19   10 o   14.740   1.6780 -2.786000 3.356000 
1 1 1   25   19   11 o   10.110   1.8260 7.913000 3.651000 
1 1 1   25   19   12 o   8.2630   2.1280 -1.649000 4.255000 
1 1 1   25   19   13 o   6.8740   2.0180 0.4748000 4.037000 
1 1 1   25   19   14 o   13.860   1.7330 -1.375000 3.466000 
1 1 1   25   19   15 f   11.930   2.0370 4.489000 4.074000 
1 1 1   25   19   16 o   11.480   2.0780 -0.9583000 4.156000 
1 1 1   25   19   17 o   12.020   2.0390 0.8737000 4.077000 
1 1 1   25   19   18 o   5.8450   1.8360 3.921000 3.672000 
1 1 1   25   19   19 o   7.1840   2.0400 -1.495000 4.080000 
1 1 1   25   19   20 o   7.0900   2.0020 -2.194000 4.003000 
1 1 1   25   19   21 o   7.6490   2.0960 0.5674000 4.192000 
1 1 1   25   20    0 o   8.8730   3.1110 -0.000000 0.000000 
1 1 1   25   20    1 o   7.1830   2.0910 0.8074000E-01 4.182000 
1 1 1   25   20    2 o   19.810   1.2470 1.549000 2.494000 
1 1 1   25   20    3 o   18.000   1.3840 2.019000 2.767000 
1 1 1   25   20    4 o   10.030   2.1810 0.1853000 4.361000 
1 1 1   25   20    5 o   10.730   2.1480 0.1857000 4.296000 
1 1 1   25   20    6 o   23.260   1.0750 1.673000 2.150000 
1 1 1   25   20    7 o   9.5850   2.2010 0.4734000 4.402000 
1 1 1   25   20    8 o   16.870   1.4810 -2.040000 2.961000 
1 1 1   25   20    9 o   9.6990   2.0980 3.967000 4.196000 
1 1 1   25   20   10 o   10.280   2.1350 -2.580000 4.270000 
1 1 1   25   20   11 o   8.6820   2.1740 -1.285000 4.347000 
1 1 1   25   20   12 o   8.9130   2.1430 0.8748000 4.287000 
1 1 1   25   20   13 o   7.9290   2.0610 -1.727000 4.122000 
1 1 1   25   20   14 o   9.3630   1.8830 -6.097000 3.765000 
1 1 1   25   20   15 o   8.8770   2.1290 0.2866000 4.259000 
1 1 1   25   20   16 o   8.0390   2.0720 1.797000 4.144000 
1 1 1   25   20   17 o   9.5080   2.1520 3.487000 4.303000 
1 1 1   25   20   18 o   7.3680   2.0270 4.084000 4.054000 
1 1 1   25   20   19 o   8.6350   2.1140 3.675000 4.228000 
1 1 1   25   21    0 o   9.7720   3.1450 -0.000000 0.000000 
1 1 1   25   21    1 o   7.5960   2.1040 2.653000 4.208000 
1 1 1   25   21    2 o   11.420   2.1380 2.310000 4.277000 
1 1 1   25   21    3 f   10.750   2.1830 1.243000 4.366000 
1 1 1   25   21    4 o   11.210   2.1360 -0.4123000 4.272000 
1 1 1   25   21    5 o   10.940   2.1360 -1.334000 4.272000 
1 1 1   25   21    6 o   14.970   1.7090 0.5955000 3.417000 
1 1 1   25   21    7 o   9.0840   2.1720 2.864000 4.344000 
1 1 1   25   21    8 o   7.0810   1.9890 3.621000 3.978000 
1 1 1   25   21    9 o   9.5150   2.1830 -0.1300000 4.367000 
1 1 1   25   21   10 f   10.040   2.0780 -4.166000 4.155000 
1 1 1   25   21   11 o   7.0440   2.0310 1.987000 4.063000 
1 1 1   25   21   12 o   9.4730   2.1390 -0.7714000 4.277000 
1 1 1   25   21   13 o   11.510   1.9420 3.580000 3.884000 
1 1 1   25   21   14 o   12.310   1.8490 0.6153000 3.699000 
1 1 1   25   21   15 o   5.6620   1.8100 0.4940000 3.619000 
1 1 1   25   21   16 o   6.0560   1.8570 1.358000 3.714000 
1 1 1   25   21   17 o   9.7220   1.9680 2.370000 3.936000 
1 1 1   25   22    0 o   6.0410   2.7090 -0.000000 0.000000 
1 1 1   25   22    1 o   6.4300   1.9240 3.696000 3.847000 
1 1 1   25   22    2 o   9.4190   2.2070 1.655000 4.415000 
1 1 1   25   22    3 o   8.0230   2.1420 2.497000 4.284000 
1 1 1   25   22    4 o   11.330   2.1450 -1.143000 4.291000 
1 1 1   25   22    5 o   7.2040   2.0770 -1.587000 4.154000 
1 1 1   25   22    6 o   8.9030   2.2110 0.4209000 4.423000 
1 1 1   25   22    7 o   10.580   2.1490 -0.9883000 4.299000 
1 1 1   25   22    8 o   9.1450   2.0560 4.567000 4.112000 
1 1 1   25   22    9 o   8.0260   2.1260 -0.7441000 4.251000 
1 1 1   25   22   10 o   10.460   2.0430 2.834000 4.086000 
1 1 1   25   22   11 o   8.0510   2.0460 -2.910000 4.091000 
1 1 1   25   22   12 o   7.1180   1.8800 -4.319000 3.760000 
1 1 1   25   22   13 o   6.7830   1.8460 4.174000 3.692000 
1 1 1   25   22   14 o   5.5670   1.7670 0.7772000 3.534000 
1 1 1   25   23    0 o   9.7990   3.1480 -0.000000 0.000000 
1 1 1   25   23    1 f   13.780   1.8670 6.136000 3.733000 
1 1 1   25   23    2 o   7.3260   2.0990 -0.9027000 4.198000 
1 1 1   25   23    3 o   6.3940   1.9740 1.066000 3.949000 
1 1 1   25   23    4 o   6.9490   2.0500 -1.436000 4.100000 
1 1 1   25   23    5 o   8.9070   2.1600 2.243000 4.321000 
1 1 1   25   23    6 o   9.4380   2.1820 0.9452000 4.365000 
1 1 1   25   23    7 o   7.4440   2.0860 -0.5991000 4.172000 
1 1 1   25   23    8 o   8.0330   2.1010 0.9977000 4.201000 
1 1 1   25   23    9 o   5.4590   1.7680 0.1093000 3.536000 
1 1 1   25   23   10 o   7.5750   2.0470 0.1159000 4.095000 
1 1 1   25   23   11 o   8.2210   1.8540 5.532000 3.707000 
1 1 1   25   24    0 o   5.9530   2.6700 -0.000000 0.000000 
1 1 1   25   24    1 o   6.8250   2.0630 -0.5900000 4.125000 
1 1 1   25   24    2 o   6.9470   1.9840 -2.589000 3.969000 
1 1 1   25   24    3 o   5.5300   1.7980 0.3624000 3.597000 
1 1 1   25   24    4 o   6.1350   1.9070 0.9842000 3.813000 
1 1 1   25   24    5 o   9.3440   2.1210 -1.871000 4.242000 
1 1 1   26    0    0 o  155.100   2.2870 -0.000000 0.000000 
1 1 1   26    0    1 o   29.590   0.4075 -0.000000 0.000000 
1 1 1   26    0    2 o   2.9700   1.2740 -0.000000 0.000000 
1 1 1   26    0    3 o   25.560   0.4596 -0.000000 0.000000 
1 1 1   26    0    4 o   77.250   0.9413 -0.000000 0.000000 
1 1 1   26    0    5 o   84.410   1.0250 -0.000000 0.000000 
1 1 1   26    0    6 o   86.060   1.0450 -0.000000 0.000000 
1 1 1   26    0    7 o   56.940   0.7093 -0.000000 0.000000 
1 1 1   26    0    8 o   79.500   0.9677 -0.000000 0.000000 
1 1 1   26    0    9 o   30.670   0.4641 -0.000000 0.000000 
1 1 1   26    0   10 f   80.760   1.2060 -0.000000 0.000000 
1 1 1   26    0   11 o   36.900   0.6345 -0.000000 0.000000 
1 1 1   26    0   12 o   16.930   0.6472 -0.000000 0.000000 
1 1 1   26    0   13 o   25.590   0.5731 -0.000000 0.000000 
1 1 1   26    0   14 o   28.290   0.5950 -0.000000 0.000000 
1 1 1   26    0   15 o   30.400   0.6096 -0.000000 0.000000 
1 1 1   26    0   16 o   4.5620   1.6950 -0.000000 0.000000 
1 1 1   26    0   17 o   3.1570   1.4370 -0.000000 0.000000 
1 1 1   26    0   18 o   42.700   0.7140 -0.000000 0.000000 
1 1 1   26    0   19 o   25.980   0.6064 -0.000000 0.000000 
1 1 1   26    0   21 o   86.320   1.3550 -0.000000 0.000000 
1 1 1   26    0   22 o   28.380   1.2680 -0.000000 0.000000 
1 1 1   26    0   23 o   18.520   1.8100 -0.000000 0.000000 
1 1 1   26    0   24 o   8.6030   3.1060 -0.000000 0.000000 
1 1 1   26    0   25 o   7.8380   3.1360 -0.000000 0.000000 
1 1 1   26    0   26 o   13.720   2.8700 -0.000000 0.000000 
1 1 1   26    0   27 o   32.880   1.4440 -0.000000 0.000000 
1 1 1   26    0   28 o   6.3820   2.9380 -0.000000 0.000000 
1 1 1   26    0   29 o   32.080   1.6130 -0.000000 0.000000 
1 1 1   26    0   30 o   6.8820   3.1080 -0.000000 0.000000 
1 1 1   26    0   31 o   16.090   3.0520 -0.000000 0.000000 
1 1 1   26    0   32 o   9.0190   3.5200 -0.000000 0.000000 
1 1 1   26    0   33 o   10.290   3.6560 -0.000000 0.000000 
1 1 1   26    0   34 o   9.0500   3.5260 -0.000000 0.000000 
1 1 1   26    1    0 o   7.6780   1.3360 -0.000000 0.000000 
1 1 1   26    1    1 o  111.200   1.1630 -6.383000 2.327000 
1 1 1   26    1    2 o  173.300   1.8070 7.744000 3.613000 
1 1 1   26    1    3 o   45.050   0.5085 -0.9871000 1.017000 
1 1 1   26    1    4 o   77.140   0.8156 -1.087000 1.631000 
1 1 1   26    1    5 o   39.910   0.4651 5.397000 0.9301000 
1 1 1   26    1    6 o  113.000   1.1820 7.187000 2.364000 
1 1 1   26    1    7 o   66.550   0.7095 -1.302000 1.419000 
1 1 1   26    1    8 o   52.040   0.5700 1.761000 1.140000 
1 1 1   26    1    9 f   15.370   0.4565 -0.5277000 0.9131000 
1 1 1   26    1   10 f  106.400   1.0120 5.914000 2.024000 
1 1 1   26    1   11 o   59.580   0.5861 -0.1635000 1.172000 
1 1 1   26    1   12 o   47.150   0.4875 -6.026000 0.9749000 
1 1 1   26    1   13 o   49.580   0.5047 -2.759000 1.009000 
1 1 1   26    1   14 o   24.530   0.3769 -0.9056000E-01 0.7538000 
1 1 1   26    1   15 f   26.090   0.3789 3.710000 0.7578000 
1 1 1   26    1   16 o   41.640   0.4532 -3.750000 0.9064000 
1 1 1   26    1   17 o   27.070   0.3844 -1.054000 0.7688000 
1 1 1   26    1   18 o   65.360   0.6448 -1.499000 1.290000 
1 1 1   26    1   19 o   9.0280   0.9834 4.062000 1.967000 
1 1 1   26    1   20 o   24.450   0.3969 -3.657000 0.7938000 
1 1 1   26    1   21 o   37.720   0.4876 -3.446000 0.9751000 
1 1 1   26    1   22 o   7.5550   1.0190 0.6199000 2.037000 
1 1 1   26    1   23 o   35.250   1.2180      ?      ? 
1 1 1   26    1   24 f   24.830   1.0790 -2.412000 2.158000 
1 1 1   26    1   25 o   7.4880   2.1430 0.1568000 4.286000 
1 1 1   26    1   26 o   8.8250   2.3280 1.989000 4.656000 
1 1 1   26    1   27 o   18.860   1.5890 -1.450000 3.178000 
1 1 1   26    1   28 o   47.710   1.0070 -1.311000 2.013000 
1 1 1   26    1   29 o   22.060   1.5860 -3.296000 3.172000 
1 1 1   26    1   30 o   21.660   1.6040 2.660000 3.208000 
1 1 1   26    1   31 o   9.8360   2.5890 -1.294000 5.178000 
1 1 1   26    1   32 o   14.860   2.2390 3.955000 4.477000 
1 1 1   26    1   33 f   9.2640   2.3490 5.745000 4.699000 
1 1 1   26    1   34 o   12.860   2.2540 7.776000 4.509000 
1 1 1   26    2    0 o   30.920   0.5887 -0.000000 0.000000 
1 1 1   26    2    1 o  123.900   1.2950 0.1078000 2.590000 
1 1 1   26    2    2 o   69.650   0.7411 -3.164000 1.482000 
1 1 1   26    2    3 f   91.690   0.9643 -7.191000 1.929000 
1 1 1   26    2    4 o   75.250   0.7974 1.560000 1.595000 
1 1 1   26    2    5 o   80.890   0.8536 0.6855000 1.707000 
1 1 1   26    2    6 o   49.580   0.5498 0.7364000E-01 1.100000 
1 1 1   26    2    7 o   31.610   0.4242 0.9194000 0.8484000 
1 1 1   26    2    8 o   58.660   0.6351 4.478000 1.270000 
1 1 1   26    2    9 o   23.560   0.4275 0.7521000 0.8549000 
1 1 1   26    2   10 o   47.690   0.5353 1.306000 1.071000 
1 1 1   26    2   11 o   48.090   0.5394 0.2528000 1.079000 
1 1 1   26    2   12 o   26.190   0.4232 -1.081000 0.8463000 
1 1 1   26    2   13 o   35.450   0.4545 4.787000 0.9090000 
1 1 1   26    2   14 o   70.910   0.7590 3.767000 1.518000 
1 1 1   26    2   15 o   13.040   0.7252 -6.034000 1.450000 
1 1 1   26    2   16 o   30.620   0.4588 1.054000 0.9176000 
1 1 1   26    2   17 o   39.400   0.4951 -2.071000 0.9902000 
1 1 1   26    2   18 o   14.720   0.7182 -6.998000 1.436000 
1 1 1   26    2   19 o   27.230   0.4011 -1.377000 0.8023000 
1 1 1   26    2   20 o   29.870   0.4118 2.529000 0.8235000 
1 1 1   26    2   21 o   47.810   0.4888 1.069000 0.9776000 
1 1 1   26    2   22 o   37.270   0.5077 0.8767000 1.015000 
1 1 1   26    2   23 o   11.940   1.5930      ?      ? 
1 1 1   26    2   24 o   43.060   0.6461 -3.771000 1.292000 
1 1 1   26    2   25 o   28.380   0.5082 -1.966000 1.016000 
1 1 1   26    2   26 o   8.1590   1.7120 1.392000 3.423000 
1 1 1   26    2   27 o   14.090   1.6910 5.222000 3.382000 
1 1 1   26    2   28 o   10.830   1.8040 -1.842000 3.608000 
1 1 1   26    2   29 o   8.9320   2.4630 -0.3773000 4.925000 
1 1 1   26    2   30 o   12.050   2.5030 -0.4999000E-01 5.006000 
1 1 1   26    2   31 o   15.950   2.2180 -8.125000 4.436000 
1 1 1   26    2   32 o   8.0800   2.3960 -1.264000 4.792000 
1 1 1   26    2   33 o   13.070   2.4400 -2.973000 4.880000 
1 1 1   26    2   34 o   8.9810   2.2290 7.274000 4.459000 
1 1 1   26    3    0 o   99.830   1.4810 -0.000000 0.000000 
1 1 1   26    3    1 o   57.700   0.6286 0.9923000 1.257000 
1 1 1   26    3    2 o  101.200   1.0630 6.435000 2.125000 
1 1 1   26    3    3 o   60.850   0.6592 -5.925000 1.318000 
1 1 1   26    3    4 o  120.800   1.2630 1.379000 2.526000 
1 1 1   26    3    5 o   70.430   0.7514 2.241000 1.503000 
1 1 1   26    3    6 o   89.820   0.9456 1.459000 1.891000 
1 1 1   26    3    8 o   19.760   0.4957 0.7252000E-01 0.9914000 
1 1 1   26    3    9 o  101.500   1.0660 6.497000 2.132000 
1 1 1   26    3   10 o   48.670   0.5504 -0.4876000 1.101000 
1 1 1   26    3   11 f   29.480   0.4442 3.965000 0.8885000 
1 1 1   26    3   12 o   27.030   0.4487 6.104000 0.8974000 
1 1 1   26    3   13 o   13.550   0.6660 0.5811000 1.332000 
1 1 1   26    3   14 o   40.900   0.5043 -6.658000 1.009000 
1 1 1   26    3   15 o   14.120   0.7102 -0.7887000 1.420000 
1 1 1   26    3   16 o   33.680   0.4891 -1.167000 0.9782000 
1 1 1   26    3   17 o   14.440   0.8389 -8.195000 1.678000 
1 1 1   26    3   18 o   34.980   0.4457 -0.5665000 0.8914000 
1 1 1   26    3   19 o   29.660   0.4579 2.714000 0.9158000 
1 1 1   26    3   20 o   51.800   0.5502 -1.395000 1.100000 
1 1 1   26    3   21 o   7.4890   1.4630 -0.4822000 2.925000 
1 1 1   26    3   22 o   34.900   0.4780 0.2964000 0.9559000 
1 1 1   26    3   23 o   8.5240   1.3200 3.668000 2.639000 
1 1 1   26    3   24 o   39.450   0.5054 2.099000 1.011000 
1 1 1   26    3   25 o   6.3370   2.3680      ?      ? 
1 1 1   26    3   26 o   11.540   1.2340 -1.512000 2.468000 
1 1 1   26    3   27 o   15.140   2.9520      ?      ? 
1 1 1   26    3   28 o   35.520   0.8285      ?      ? 
1 1 1   26    3   30 o   11.020   1.7340      ?      ? 
1 1 1   26    3   31 o   17.050   1.0960      ?      ? 
1 1 1   26    3   32 o   14.030   1.6700 -5.210000 3.339000 
1 1 1   26    3   33 o   6.5390   1.9580 -4.329000 3.916000 
1 1 1   26    3   34 o   9.6780   1.9140 -5.364000 3.828000 
1 1 1   26    4    0 o   71.190   1.0770 -0.000000 0.000000 
1 1 1   26    4    1 o   68.320   0.7345 -4.600000 1.469000 
1 1 1   26    4    2 o   85.800   0.9086 7.609000 1.817000 
1 1 1   26    4    3 o   29.030   0.4646 -7.971000 0.9292000 
1 1 1   26    4    4 o   10.600   0.8818 -1.237000 1.764000 
1 1 1   26    4    5 o   75.790   0.8066 -1.695000 1.613000 
1 1 1   26    4    6 o   82.260   0.8714 -3.956000 1.743000 
1 1 1   26    4    7 o   61.670   0.6712 -3.362000 1.342000 
1 1 1   26    4    8 o   54.020   0.8480      ?      ? 
1 1 1   26    4    9 o   74.350   0.7933 -1.309000 1.587000 
1 1 1   26    4   10 o   61.630   0.6712 -0.6735000 1.342000 
1 1 1   26    4   11 o   29.990   0.4619 -3.868000 0.9238000 
1 1 1   26    4   12 o   60.410   0.6595 -3.794000 1.319000 
1 1 1   26    4   13 o   63.990   0.6361 -2.697000 1.272000 
1 1 1   26    4   14 o   68.530   0.6735 2.691000 1.347000 
1 1 1   26    4   15 o   34.470   0.5557      ?      ? 
1 1 1   26    4   16 o   28.290   0.4603 1.905000 0.9206000 
1 1 1   26    4   17 o   5.3080   1.3990 -1.727000 2.797000 
1 1 1   26    4   18 o   82.440   0.8057 -3.159000 1.611000 
1 1 1   26    4   19 o   58.460   0.6014 -2.685000 1.203000 
1 1 1   26    4   20 o   49.660   0.6778      ?      ? 
1 1 1   26    4   21 o   40.960   0.5629 3.046000 1.126000 
1 1 1   26    4   22 o   12.350   1.0970 -3.024000 2.193000 
1 1 1   26    4   23 o   21.490   0.6826 -0.8723000 1.365000 
1 1 1   26    4   24 o   16.320   0.9041 0.9188000 1.808000 
1 1 1   26    4   25 o   10.450   1.4340 6.468000 2.867000 
1 1 1   26    4   26 o   17.350   0.8317 0.6222000 1.663000 
1 1 1   26    4   27 o   39.090   0.5627 1.854000 1.125000 
1 1 1   26    4   28 o   33.200   0.5766 0.5055000 1.153000 
1 1 1   26    4   29 o   12.970   2.0070 2.455000 4.014000 
1 1 1   26    4   30 o   16.600   1.8750 3.043000 3.750000 
1 1 1   26    4   31 o   17.770   1.8230 4.484000 3.646000 
1 1 1   26    4   32 o   10.970   1.8970 5.285000 3.794000 
1 1 1   26    4   33 o   13.180   1.6780      ?      ? 
1 1 1   26    4   34 o   10.880   1.9190      ?      ? 
1 1 1   26    5    0 o   33.670   0.6789 -0.000000 0.000000 
1 1 1   26    5    1 o   55.470   0.6210 1.187000 1.242000 
1 1 1   26    5    2 o   37.470   0.4913 6.427000 0.9826000 
1 1 1   26    5    3 o   40.330   0.5094 0.5863000 1.019000 
1 1 1   26    5    4 o   94.680   0.9998 4.854000 2.000000 
1 1 1   26    5    5 o   48.510   0.5643 -5.688000 1.129000 
1 1 1   26    5    6 o   5.8250   1.4070 0.7366000 2.814000 
1 1 1   26    5    7 o   30.210   0.4805 -4.021000 0.9609000 
1 1 1   26    5    8 o   27.480   0.4869 1.166000 0.9738000 
1 1 1   26    5    9 o   51.590   0.5901 -0.1073000 1.180000 
1 1 1   26    5   10 o   54.930   0.6185 5.946000 1.237000 
1 1 1   26    5   11 o   40.400   0.4732 -3.724000 0.9464000 
1 1 1   26    5   12 o   23.040   0.7969      ?      ? 
1 1 1   26    5   13 o   48.530   0.5253 -5.503000 1.051000 
1 1 1   26    5   14 f   22.020   0.5258 -1.808000 1.052000 
1 1 1   26    5   15 f   36.620   0.4648 2.482000 0.9297000 
1 1 1   26    5   16 f   12.910   0.8464 -1.365000 1.693000 
1 1 1   26    5   17 o   17.100   0.6632 -6.178000 1.326000 
1 1 1   26    5   18 o   46.190   0.5183 0.7767000 1.037000 
1 1 1   26    5   19 o   8.3160   1.5760 0.8953000 3.152000 
1 1 1   26    5   20 o   31.380   0.5257 3.172000 1.051000 
1 1 1   26    5   21 o   28.720   0.5379 -0.6371000 1.076000 
1 1 1   26    5   22 o   34.480   0.5337 0.7122000 1.067000 
1 1 1   26    5   23 o   37.710   0.5349 0.1626000 1.070000 
1 1 1   26    5   24 o   16.340   1.0280 4.530000 2.055000 
1 1 1   26    5   25 o   9.4360   1.6940 -2.313000 3.388000 
1 1 1   26    5   26 o   26.100   0.6716 0.2443000E-01 1.343000 
1 1 1   26    5   27 o   36.000   0.5889 0.5429000 1.178000 
1 1 1   26    5   28 o   24.270   0.7849 0.2618000 1.570000 
1 1 1   26    5   29 o   24.700   0.7717 -2.264000 1.543000 
1 1 1   26    5   30 o   16.890   1.8830 3.639000 3.766000 
1 1 1   26    5   31 o   15.980   1.6360 -1.411000 3.272000 
1 1 1   26    5   32 o   9.2050   1.8900 0.8263000 3.780000 
1 1 1   26    5   33 o   14.120   1.7560 -2.223000 3.511000 
1 1 1   26    5   34 o   14.040   1.8740 0.2248000 3.747000 
1 1 1   26    6    0 o   79.060   1.1950 -0.000000 0.000000 
1 1 1   26    6    1 o   53.150   0.6064 1.527000 1.213000 
1 1 1   26    6    2 o   77.830   0.8337 -0.7564000 1.667000 
1 1 1   26    6    3 o   7.5850   1.3930 2.691000 2.785000 
1 1 1   26    6    4 o   88.820   0.9423 0.2183000 1.885000 
1 1 1   26    6    5 o   65.630   0.7189 1.914000 1.438000 
1 1 1   26    6    6 o   44.250   0.5502 -3.534000 1.100000 
1 1 1   26    6    7 o   20.060   0.6438 2.728000 1.288000 
1 1 1   26    6    8 o   5.2930   1.4190 -0.5136000 2.837000 
1 1 1   26    6    9 o   22.720   0.5339 0.1437000 1.068000 
1 1 1   26    6   10 o   54.400   0.5670 3.804000 1.134000 
1 1 1   26    6   11 o   14.530   0.7901 -4.429000 1.580000 
1 1 1   26    6   12 f   37.680   0.4757 1.928000 0.9513000 
1 1 1   26    6   13 o   11.390   1.2210 -4.275000 2.442000 
1 1 1   26    6   14 o   17.270   0.6774 -1.207000 1.355000 
1 1 1   26    6   15 o   40.670   0.4944 -2.562000 0.9888000 
1 1 1   26    6   16 o   16.920   0.7180 -0.6993000 1.436000 
1 1 1   26    6   17 o   32.460   0.5013 -0.8966000 1.003000 
1 1 1   26    6   18 o   23.460   0.6652 -2.870000 1.330000 
1 1 1   26    6   19 o   32.250   0.5864 0.1665000 1.173000 
1 1 1   26    6   20 f   14.970   0.9334 2.174000 1.867000 
1 1 1   26    6   21 o   8.1710   1.4470 4.591000 2.894000 
1 1 1   26    6   22 o   17.660   0.9463 5.594000 1.893000 
1 1 1   26    6   23 o   25.160   0.7306 -0.2322000 1.461000 
1 1 1   26    6   24 o   19.270   0.8825 2.422000 1.765000 
1 1 1   26    6   25 o   5.8360   1.6540 0.8056000 3.307000 
1 1 1   26    6   26 f   21.830   0.8390 1.146000 1.678000 
1 1 1   26    6   27 o   11.200   1.7290 1.895000 3.458000 
1 1 1   26    6   28 f   10.100   1.6930 -3.613000 3.386000 
1 1 1   26    6   29 o   28.920   0.6992 0.6315000E-01 1.398000 
1 1 1   26    6   30 o   7.7060   1.8290 0.4154000 3.658000 
1 1 1   26    6   31 o   10.460   1.6480 2.724000 3.296000 
1 1 1   26    6   32 o   7.9040   2.1190      ?      ? 
1 1 1   26    6   33 o   10.280   1.9050 1.232000 3.810000 
1 1 1   26    7    0 o   20.840   0.8823 -0.000000 0.000000 
1 1 1   26    7    1 f   58.710   0.6637 3.639000 1.327000 
1 1 1   26    7    2 o   52.230   0.6096 -4.140000 1.219000 
1 1 1   26    7    3 o   40.130   0.5408 -1.277000 1.082000 
1 1 1   26    7    4 o   54.980   0.6323 1.697000 1.265000 
1 1 1   26    7    5 o   80.620   0.7908 0.4509000 1.582000 
1 1 1   26    7    6 o   18.830   0.6328 -1.522000 1.266000 
1 1 1   26    7    7 o   23.810   0.5466 -0.5229000 1.093000 
1 1 1   26    7    8 o   32.720   0.4851 2.197000 0.9703000 
1 1 1   26    7    9 o   15.910   0.7558 -2.863000 1.512000 
1 1 1   26    7   10 o   28.640   0.5231 5.339000 1.046000 
1 1 1   26    7   11 o   46.570   0.5345 1.247000 1.069000 
1 1 1   26    7   12 o   18.950   0.6890 2.121000 1.378000 
1 1 1   26    7   13 o   24.920   0.5521 0.9427000 1.104000 
1 1 1   26    7   14 o   22.180   0.6655 1.985000 1.331000 
1 1 1   26    7   15 o   30.680   0.5238 1.133000 1.048000 
1 1 1   26    7   16 o   20.400   1.0310      ?      ? 
1 1 1   26    7   17 o   23.630   0.6116 -1.201000 1.223000 
1 1 1   26    7   18 o   39.640   0.5345 0.3025000E-01 1.069000 
1 1 1   26    7   19 o   29.200   0.5718 0.6844000 1.144000 
1 1 1   26    7   20 o   31.290   0.4970 -1.999000 0.9940000 
1 1 1   26    7   21 o   11.050   1.1790 -1.146000 2.358000 
1 1 1   26    7   22 o   43.900   0.5035 2.012000 1.007000 
1 1 1   26    7   23 o   28.580   0.6235 -2.455000 1.247000 
1 1 1   26    7   24 o   24.810   0.6872 -2.233000 1.374000 
1 1 1   26    7   25 o   6.9490   1.4840 4.708000 2.968000 
1 1 1   26    7   26 o   22.900   0.6683 -1.305000 1.337000 
1 1 1   26    7   27 o   31.280   0.6727 6.680000 1.345000 
1 1 1   26    7   28 o   34.510   0.5475 -0.1955000 1.095000 
1 1 1   26    7   29 o   16.830   1.1990 0.4648000 2.398000 
1 1 1   26    7   30 o   7.0510   1.9030 -0.7983000 3.807000 
1 1 1   26    7   31 o   15.680   1.2310 -0.1310000 2.462000 
1 1 1   26    7   32 o   17.660   1.0990 3.252000 2.199000 
1 1 1   26    7   33 o   7.4060   2.0510 -1.449000 4.102000 
1 1 1   26    8    0 o   30.950   0.6370 -0.000000 0.000000 
1 1 1   26    8    1 o   6.3510   1.5360 -2.335000 3.071000 
1 1 1   26    8    2 o   42.800   0.5204 2.022000 1.041000 
1 1 1   26    8    3 o   59.740   0.6269 -5.430000 1.254000 
1 1 1   26    8    4 o   43.860   0.5731 3.178000 1.146000 
1 1 1   26    8    5 o   46.230   0.5353 2.993000 1.071000 
1 1 1   26    8    6 o   79.050   0.7785 1.255000 1.557000 
1 1 1   26    8    7 o   22.420   0.6176 -5.181000 1.235000 
1 1 1   26    8    8 o   29.880   0.5710 4.722000 1.142000 
1 1 1   26    8    9 o   19.580   0.6894 -1.380000 1.379000 
1 1 1   26    8   10 o   35.480   0.6666      ?      ? 
1 1 1   26    8   11 o   31.630   0.5371 3.627000 1.074000 
1 1 1   26    8   12 o   37.430   0.4629 -3.058000 0.9259000 
1 1 1   26    8   13 o   26.030   0.5093 -0.9617000 1.019000 
1 1 1   26    8   14 o   39.090   0.4655 -1.636000 0.9311000 
1 1 1   26    8   15 o   62.050   0.5768 -4.647000 1.154000 
1 1 1   26    8   16 o   30.740   0.4930 -1.267000 0.9859000 
1 1 1   26    8   17 o   25.520   0.5594 -0.4663000 1.119000 
1 1 1   26    8   18 o   22.080   0.6278 2.217000 1.256000 
1 1 1   26    8   19 o   10.110   1.3610 0.8011000 2.723000 
1 1 1   26    8   20 o   19.750   0.7258 -0.1478000 1.452000 
1 1 1   26    8   21 o   29.250   0.5573 1.015000 1.115000 
1 1 1   26    8   22 o   19.310   0.7797 -0.7135000E-01 1.559000 
1 1 1   26    8   23 o   21.190   0.7332 3.185000 1.466000 
1 1 1   26    8   24 o   33.000   0.5614 -1.228000 1.123000 
1 1 1   26    8   25 o   13.960   1.1260 -1.550000 2.253000 
1 1 1   26    8   26 o   8.5130   1.8090 3.385000 3.618000 
1 1 1   26    8   27 o   30.190   0.6023 -0.9636000 1.205000 
1 1 1   26    8   28 f   10.960   1.4990 -0.4007000 2.998000 
1 1 1   26    8   29 o   8.1560   1.6310 4.095000 3.263000 
1 1 1   26    8   30 o   12.080   1.3140 1.537000 2.629000 
1 1 1   26    8   31 o   16.550   0.9212 -2.974000 1.842000 
1 1 1   26    8   32 o   5.6740   1.5260 2.932000 3.051000 
1 1 1   26    8   33 o   7.9080   1.6820 -2.146000 3.363000 
1 1 1   26    9    0 o   72.490   0.9234 -0.000000 0.000000 
1 1 1   26    9    1 o   45.730   0.4894 0.9952000 0.9788000 
1 1 1   26    9    2 f   16.060   0.7927 0.2920000E-01 1.585000 
1 1 1   26    9    3 o   32.040   0.5486 -0.3318000 1.097000 
1 1 1   26    9    4 o   8.8360   1.3550 5.188000 2.711000 
1 1 1   26    9    5 o   27.260   0.5220 -0.6165000E-01 1.044000 
1 1 1   26    9    6 o   19.400   0.7222 1.090000 1.444000 
1 1 1   26    9    7 o   16.050   0.7642 -0.7650000 1.528000 
1 1 1   26    9    8 o   18.600   0.6758 3.858000 1.352000 
1 1 1   26    9    9 o   31.860   0.4858 -1.168000 0.9716000 
1 1 1   26    9   10 o   51.450   0.5156 4.387000 1.031000 
1 1 1   26    9   11 o   60.550   0.5695 -0.6716000 1.139000 
1 1 1   26    9   12 o   11.350   1.1550 3.163000 2.309000 
1 1 1   26    9   13 o   5.7210   1.4540 4.134000 2.907000 
1 1 1   26    9   14 o   27.040   0.5519 3.987000 1.104000 
1 1 1   26    9   15 o   39.280   0.4960 0.2614000 0.9920000 
1 1 1   26    9   16 o   30.840   0.5311 0.1304000 1.062000 
1 1 1   26    9   17 o   45.720   0.5123 -1.866000 1.025000 
1 1 1   26    9   18 o   9.6560   1.6720 3.946000 3.344000 
1 1 1   26    9   19 o   29.790   0.5700 2.602000 1.140000 
1 1 1   26    9   20 o   17.230   1.0820 -4.710000 2.164000 
1 1 1   26    9   21 o   30.040   0.6329 2.485000 1.266000 
1 1 1   26    9   22 o   39.940   0.5448 -1.566000 1.090000 
1 1 1   26    9   23 o   18.840   1.0760 -3.186000 2.152000 
1 1 1   26    9   24 o   30.910   0.6375 0.1233000E-01 1.275000 
1 1 1   26    9   25 o   7.1790   1.8320 1.869000 3.664000 
1 1 1   26    9   26 o   25.380   0.7296 -1.407000 1.459000 
1 1 1   26    9   27 o   4.8580   1.5600 -1.617000 3.120000 
1 1 1   26    9   28 o   21.020   1.0320 6.899000 2.065000 
1 1 1   26    9   29 o   14.820   1.1620 0.2334000 2.324000 
1 1 1   26    9   30 o   18.360   0.8974 0.6089000 1.795000 
1 1 1   26    9   31 o   6.4390   1.6850 -2.145000 3.371000 
1 1 1   26    9   32 o   8.8540   1.6470 -0.2384000 3.295000 
1 1 1   26   10    0 o   6.3020   2.3290 -0.000000 0.000000 
1 1 1   26   10    1 o   26.370   0.5814 2.739000 1.163000 
1 1 1   26   10    2 o   21.130   0.6887 -1.356000 1.377000 
1 1 1   26   10    3 o   37.370   0.5102 3.976000 1.020000 
1 1 1   26   10    4 o   34.330   0.4844 -3.855000 0.9687000 
1 1 1   26   10    5 f   29.480   0.5032 3.923000 1.006000 
1 1 1   26   10    6 o   42.750   0.4706 -1.347000 0.9412000 
1 1 1   26   10    7 o   50.250   0.4909 0.6296000 0.9817000 
1 1 1   26   10    8 o   14.640   0.8978 5.193000 1.796000 
1 1 1   26   10    9 o   33.500   0.4865 -2.530000 0.9730000 
1 1 1   26   10   10 o   33.280   0.4911 -1.692000 0.9822000 
1 1 1   26   10   11 o   18.410   0.7254 1.064000 1.451000 
1 1 1   26   10   12 o   11.280   1.1960 2.435000 2.392000 
1 1 1   26   10   13 o   40.700   0.5089 -0.9500000 1.018000 
1 1 1   26   10   14 f   30.620   0.5467 1.192000 1.093000 
1 1 1   26   10   15 f   34.720   0.5339 2.214000 1.068000 
1 1 1   26   10   16 o   43.460   0.5265 0.4862000E-01 1.053000 
1 1 1   26   10   17 o   22.620   0.7054 1.594000 1.411000 
1 1 1   26   10   18 o   30.750   0.6503 2.222000 1.301000 
1 1 1   26   10   19 o   12.820   1.3510 2.653000 2.702000 
1 1 1   26   10   20 o   34.950   0.5894 -2.493000 1.179000 
1 1 1   26   10   21 o   26.470   0.7493 4.062000 1.499000 
1 1 1   26   10   22 o   27.820   0.7047 3.488000 1.409000 
1 1 1   26   10   23 o   23.280   0.9363 -1.221000 1.873000 
1 1 1   26   10   24 o   19.660   0.9739 -0.6420000E-01 1.948000 
1 1 1   26   10   25 o   16.130   1.2000 -2.298000 2.400000 
1 1 1   26   10   26 o   7.9390   1.6520 6.426000 3.304000 
1 1 1   26   10   27 o   15.570   1.2450 -2.325000 2.491000 
1 1 1   26   10   28 o   10.560   1.7330 -3.096000 3.467000 
1 1 1   26   10   29 o   13.760   1.3330 0.9210000 2.666000 
1 1 1   26   10   30 o   11.130   1.5870 -2.908000 3.174000 
1 1 1   26   10   31 o   4.4170   1.4560 0.5768000 2.913000 
1 1 1   26   11    0 o   10.050   2.1040 -0.000000 0.000000 
1 1 1   26   11    1 o   12.510   1.1090 0.8164000 2.218000 
1 1 1   26   11    2 o   22.290   0.6475 1.398000 1.295000 
1 1 1   26   11    3 o   24.110   0.6294 -4.610000 1.259000 
1 1 1   26   11    4 o   6.7110   1.6220 -1.043000 3.244000 
1 1 1   26   11    5 o   24.040   0.6112 -0.5206000 1.222000 
1 1 1   26   11    6 o   49.420   0.5016 0.3465000 1.003000 
1 1 1   26   11    7 o   40.000   0.4892 -1.641000 0.9784000 
1 1 1   26   11    8 f   17.080   0.8744 -2.660000 1.749000 
1 1 1   26   11    9 o   14.780   0.9795 0.3093000 1.959000 
1 1 1   26   11   10 o   22.790   0.6753 -2.637000 1.351000 
1 1 1   26   11   11 o   16.960   0.9919 1.054000 1.984000 
1 1 1   26   11   12 o   32.230   0.5391 -2.119000 1.078000 
1 1 1   26   11   13 o   53.500   0.5284 0.5602000 1.057000 
1 1 1   26   11   14 o   27.950   0.5994 0.4936000 1.199000 
1 1 1   26   11   15 o   8.5840   1.6010 5.366000 3.202000 
1 1 1   26   11   16 o   21.780   0.7523 1.072000 1.505000 
1 1 1   26   11   17 o   26.090   0.6724 -1.008000 1.345000 
1 1 1   26   11   18 o   44.960   0.5367 -0.9814000 1.073000 
1 1 1   26   11   19 f   25.120   0.7225 1.039000 1.445000 
1 1 1   26   11   20 o   31.290   0.6298 -0.3262000 1.260000 
1 1 1   26   11   21 o   15.900   1.3150 2.398000 2.629000 
1 1 1   26   11   22 o   17.740   1.0880 -2.929000 2.176000 
1 1 1   26   11   23 o   6.6640   1.8740 -0.5370000 3.747000 
1 1 1   26   11   24 o   17.220   1.1700 -0.1558000 2.340000 
1 1 1   26   11   25 f   22.600   0.9131 -3.809000 1.826000 
1 1 1   26   11   26 f   12.500   1.6170 3.467000 3.234000 
1 1 1   26   11   27 o   6.3540   1.8480 -0.6333000 3.695000 
1 1 1   26   11   28 o   6.1750   1.8230 0.8421000 3.645000 
1 1 1   26   11   29 o   11.000   1.7000 -3.592000 3.399000 
1 1 1   26   11   30 o   10.220   1.6910 4.330000 3.381000 
1 1 1   26   11   31 o   5.2320   1.6200 -0.5278000 3.240000 
1 1 1   26   12    0 o   5.1040   2.1430 -0.000000 0.000000 
1 1 1   26   12    1 o   47.520   0.4660 2.586000 0.9319000 
1 1 1   26   12    2 o   31.960   0.4920 1.018000 0.9840000 
1 1 1   26   12    3 o   30.090   0.5539 -0.9226000E-01 1.108000 
1 1 1   26   12    4 o   42.430   0.5090 -1.816000 1.018000 
1 1 1   26   12    5 o   37.920   0.5229 -2.095000 1.046000 
1 1 1   26   12    6 o   10.730   1.5020 -5.560000 3.004000 
1 1 1   26   12    7 o   44.980   0.5094 4.239000 1.019000 
1 1 1   26   12    8 o   11.630   1.3350 3.474000 2.669000 
1 1 1   26   12    9 o   32.360   0.5591 2.850000 1.118000 
1 1 1   26   12   10 o   21.230   0.8257 2.356000 1.651000 
1 1 1   26   12   11 o   46.350   0.5236 2.169000 1.047000 
1 1 1   26   12   12 o   16.840   0.9884 -1.339000 1.977000 
1 1 1   26   12   13 o   45.520   0.5334 -3.051000 1.067000 
1 1 1   26   12   14 o   7.0130   1.6120 6.046000 3.223000 
1 1 1   26   12   15 f   16.630   1.0470 1.797000 2.095000 
1 1 1   26   12   16 o   27.250   0.7926 0.5863000 1.585000 
1 1 1   26   12   17 o   37.910   0.5810 0.3677000 1.162000 
1 1 1   26   12   18 f   7.1800   1.9010 0.4866000 3.801000 
1 1 1   26   12   19 o   21.290   1.0870 -2.113000 2.174000 
1 1 1   26   12   20 o   31.990   0.6599 0.8816000 1.320000 
1 1 1   26   12   21 o   30.470   0.7052 2.899000 1.410000 
1 1 1   26   12   22 o   6.5060   1.8680 2.550000 3.735000 
1 1 1   26   12   23 o   18.430   1.1360 2.371000 2.272000 
1 1 1   26   12   24 f   19.320   1.0840 1.398000 2.168000 
1 1 1   26   12   25 o   24.430   0.8789 2.501000 1.758000 
1 1 1   26   12   26 o   15.010   1.4360 4.819000 2.872000 
1 1 1   26   12   27 o   13.700   1.6040 8.313000 3.209000 
1 1 1   26   12   28 o   6.8970   1.8960 -1.544000 3.793000 
1 1 1   26   12   29 o   5.8900   1.7790 -0.2518000 3.559000 
1 1 1   26   12   30 o   5.4400   1.6720 2.686000 3.344000 
1 1 1   26   13    0 o   5.2840   2.2300 -0.000000 0.000000 
1 1 1   26   13    1 o   40.600   0.4866 -0.2712000 0.9732000 
1 1 1   26   13    2 o   42.150   0.4894 -2.291000 0.9788000 
1 1 1   26   13    3 o   38.000   0.5052 -3.485000 1.010000 
1 1 1   26   13    4 o   35.730   0.5113 2.571000 1.023000 
1 1 1   26   13    5 o   8.9880   1.7350 1.223000 3.471000 
1 1 1   26   13    6 o   46.240   0.5326 2.220000 1.065000 
1 1 1   26   13    7 o   47.770   0.5380 -0.6401000 1.076000 
1 1 1   26   13    8 o   50.540   0.5414 -0.4712000 1.083000 
1 1 1   26   13    9 o   14.650   1.1650 0.4086000 2.329000 
1 1 1   26   13   10 o   26.240   0.8014 0.4023000 1.603000 
1 1 1   26   13   11 o   61.780   0.5889 -1.500000 1.178000 
1 1 1   26   13   12 o   77.460   0.6742 -1.004000 1.348000 
1 1 1   26   13   13 o   39.830   0.5665 1.302000 1.133000 
1 1 1   26   13   14 o   12.700   1.4600 1.738000 2.920000 
1 1 1   26   13   15 o   27.750   0.7171 2.020000 1.434000 
1 1 1   26   13   16 o   31.130   0.6652 1.080000 1.330000 
1 1 1   26   13   17 o   17.670   1.0960 2.875000 2.192000 
1 1 1   26   13   18 o   25.200   0.8172 -0.3789000 1.634000 
1 1 1   26   13   19 o   23.450   0.9457 1.153000 1.891000 
1 1 1   26   13   20 o   13.350   1.5840 3.545000 3.168000 
1 1 1   26   13   21 o   22.580   0.9745 -0.5205000 1.949000 
1 1 1   26   13   22 o   15.030   1.4900 -1.921000 2.980000 
1 1 1   26   13   23 o   13.720   2.1180      ?      ? 
1 1 1   26   13   24 o   28.240   0.7970 2.536000 1.594000 
1 1 1   26   13   25 o   13.330   1.6880 4.872000 3.376000 
1 1 1   26   13   26 o   11.340   1.8660 2.776000 3.731000 
1 1 1   26   13   27 o   5.8860   1.7890 2.283000 3.577000 
1 1 1   26   13   28 o   12.140   1.7160 1.523000 3.432000 
1 1 1   26   13   29 o   9.7260   1.8940 2.482000 3.787000 
1 1 1   26   14    0 o   9.8700   2.2910 -0.000000 0.000000 
1 1 1   26   14    1 o   35.890   0.5371 3.184000 1.074000 
1 1 1   26   14    2 o   50.290   0.5138 0.2312000 1.028000 
1 1 1   26   14    3 o   38.860   0.5260 -1.085000 1.052000 
1 1 1   26   14    4 o   30.380   0.5949 2.677000 1.190000 
1 1 1   26   14    5 o   41.420   0.5210 3.174000 1.042000 
1 1 1   26   14    6 o   55.360   0.5268 0.5107000 1.054000 
1 1 1   26   14    7 f   27.390   0.7133 0.4471000 1.427000 
1 1 1   26   14    8 o   26.370   0.7359 -1.206000 1.472000 
1 1 1   26   14    9 o   13.900   1.3870 -2.339000 2.774000 
1 1 1   26   14   10 o   23.560   0.8117 2.932000 1.623000 
1 1 1   26   14   11 o   11.520   1.6240 2.119000 3.249000 
1 1 1   26   14   12 o   26.880   0.7623 -2.462000 1.525000 
1 1 1   26   14   13 o   8.8200   1.7950 -3.892000 3.589000 
1 1 1   26   14   14 o   25.490   0.8080 2.442000 1.616000 
1 1 1   26   14   15 o   10.280   1.8850 1.863000 3.771000 
1 1 1   26   14   16 o   13.460   1.5380 0.7860000 3.076000 
1 1 1   26   14   17 o   11.500   1.7410 7.611000 3.482000 
1 1 1   26   14   18 o   28.410   0.8049 -0.7789000 1.610000 
1 1 1   26   14   19 o   23.870   0.9511 -3.485000 1.902000 
1 1 1   26   14   20 o   12.150   1.8450 4.066000 3.689000 
1 1 1   26   14   21 o   10.090   1.9510 5.302000 3.903000 
1 1 1   26   14   22 o   14.650   1.5710 2.615000 3.142000 
1 1 1   26   14   23 o   8.4670   2.0590 3.219000 4.117000 
1 1 1   26   14   24 o   12.130   1.8640 0.1265000 3.727000 
1 1 1   26   14   25 o   9.3900   2.0110 -2.768000 4.021000 
1 1 1   26   14   26 o   13.710   1.5740 -1.575000 3.148000 
1 1 1   26   14   27 o   12.630   1.6950 -6.444000 3.391000 
1 1 1   26   14   28 o   10.150   1.9280 0.7420000 3.856000 
1 1 1   26   15    0 o   8.2960   2.5690 -0.000000 0.000000 
1 1 1   26   15    1 o   17.530   1.0950 -1.710000 2.190000 
1 1 1   26   15    2 o   9.0150   1.7410 -3.409000 3.482000 
1 1 1   26   15    3 o   42.870   0.5408 1.173000 1.082000 
1 1 1   26   15    4 o   32.610   0.6033 1.361000 1.207000 
1 1 1   26   15    5 o   13.670   1.3260 -0.8833000 2.651000 
1 1 1   26   15    6 o   31.770   0.6285 0.5583000 1.257000 
1 1 1   26   15    7 o   33.470   0.6016 -0.4441000 1.203000 
1 1 1   26   15    8 o   13.900   1.4780 -3.269000 2.956000 
1 1 1   26   15    9 o   13.250   1.5340 -0.1122000 3.068000 
1 1 1   26   15   10 o   11.480   1.7640 0.7770000 3.527000 
1 1 1   26   15   11 o   27.140   0.7877 -0.6180000E-01 1.575000 
1 1 1   26   15   12 o   12.210   1.7570 -2.726000 3.513000 
1 1 1   26   15   13 o   17.750   1.2000 2.446000 2.400000 
1 1 1   26   15   14 o   25.410   0.8618 0.6928000 1.724000 
1 1 1   26   15   15 o   17.990   1.3560 5.259000 2.711000 
1 1 1   26   15   16 o   19.370   1.1350 1.533000 2.270000 
1 1 1   26   15   17 o   22.380   1.0200 2.246000 2.039000 
1 1 1   26   15   18 o   8.4650   2.0510 -2.210000 4.102000 
1 1 1   26   15   19 o   14.960   1.5710 -0.6815000 3.142000 
1 1 1   26   15   20 o   8.6240   2.1220 -1.165000 4.245000 
1 1 1   26   15   21 o   10.820   1.9520 10.09000 3.904000 
1 1 1   26   15   22 o   7.0150   2.0210 -0.2334000 4.042000 
1 1 1   26   15   23 o   24.690   0.9390 2.513000 1.878000 
1 1 1   26   15   24 f   12.950   1.7380 -0.2586000 3.476000 
1 1 1   26   15   25 o   6.4540   1.9280 1.070000 3.857000 
1 1 1   26   15   26 o   9.4350   2.0150 3.477000 4.031000 
1 1 1   26   15   27 f   7.7340   1.9910 -1.026000 3.981000 
1 1 1   26   16    0 o   11.030   2.4340 -0.000000 0.000000 
1 1 1   26   16    1 o   22.340   0.8511 2.618000 1.702000 
1 1 1   26   16    2 o   18.140   1.0340 0.7706000 2.069000 
1 1 1   26   16    3 o   24.980   0.7684 0.2482000E-01 1.537000 
1 1 1   26   16    4 o   23.100   0.8259 1.077000 1.652000 
1 1 1   26   16    5 o   17.170   1.1000 0.6423000 2.199000 
1 1 1   26   16    6 o   31.570   0.6581 1.383000 1.316000 
1 1 1   26   16    7 o   20.260   0.9820 3.014000 1.964000 
1 1 1   26   16    8 o   35.400   0.6259 0.1904000 1.252000 
1 1 1   26   16    9 o   29.140   0.7186 0.3715000 1.437000 
1 1 1   26   16   10 o   9.6190   1.9580 4.525000 3.915000 
1 1 1   26   16   11 o   10.770   1.9130 4.860000 3.825000 
1 1 1   26   16   12 f   7.2670   1.9110 4.868000 3.821000 
1 1 1   26   16   13 o   22.900   1.0070 -0.7211000 2.013000 
1 1 1   26   16   14 o   12.270   1.8350 -6.062000 3.671000 
1 1 1   26   16   15 o   12.570   1.8380 5.715000 3.675000 
1 1 1   26   16   16 o   11.400   2.0410 3.308000 4.083000 
1 1 1   26   16   17 o   20.400   1.1790 3.613000 2.358000 
1 1 1   26   16   18 o   16.150   1.5400 -3.146000 3.081000 
1 1 1   26   16   19 o   9.9920   2.0390 5.252000 4.078000 
1 1 1   26   16   20 o   7.6270   2.0650 -1.747000 4.131000 
1 1 1   26   16   21 o   14.470   1.6590 -0.1132000 3.319000 
1 1 1   26   16   22 o   17.450   1.3630 3.107000 2.726000 
1 1 1   26   16   23 o   7.7140   2.0420 -1.891000 4.084000 
1 1 1   26   16   24 o   8.8480   2.0740 -2.210000 4.148000 
1 1 1   26   16   25 o   8.3090   2.0790 -0.7894000 4.159000 
1 1 1   26   16   26 o   5.8450   1.7800 -2.314000 3.561000 
1 1 1   26   17    0 o   48.980   0.7977 -0.000000 0.000000 
1 1 1   26   17    1 o   5.7940   1.7860 -0.4863000 3.572000 
1 1 1   26   17    2 o   16.810   1.2400 4.264000 2.479000 
1 1 1   26   17    3 o   11.620   1.7650 -1.695000 3.529000 
1 1 1   26   17    4 o   10.450   1.8300 4.717000 3.659000 
1 1 1   26   17    5 o   13.260   1.5980 2.566000 3.196000 
1 1 1   26   17    6 o   17.090   1.2400 4.221000 2.480000 
1 1 1   26   17    7 o   13.900   1.5370 0.4544000 3.073000 
1 1 1   26   17    8 o   20.640   1.0390 2.035000 2.079000 
1 1 1   26   17    9 o   22.930   0.9423 -0.3267000 1.885000 
1 1 1   26   17   10 o   27.490   0.8836 -2.362000 1.767000 
1 1 1   26   17   11 o   15.370   1.4430 -2.821000 2.886000 
1 1 1   26   17   12 o   26.680   0.9254 -0.9271000E-01 1.851000 
1 1 1   26   17   13 o   24.720   1.0040 0.7352000 2.008000 
1 1 1   26   17   14 o   14.240   1.7750 -0.1513000 3.549000 
1 1 1   26   17   15 o   6.2400   1.9560 0.8576000 3.911000 
1 1 1   26   17   16 o   19.840   1.2540 -2.122000 2.508000 
1 1 1   26   17   17 o   16.380   1.5430 -2.123000 3.085000 
1 1 1   26   17   18 o   14.620   1.6510 1.593000 3.301000 
1 1 1   26   17   19 o   7.0720   2.0210 2.799000 4.043000 
1 1 1   26   17   20 o   5.6040   1.7890 -1.981000 3.579000 
1 1 1   26   17   21 o   8.4810   2.1600 1.765000 4.320000 
1 1 1   26   17   22 o   9.2230   2.1500 0.2566000 4.300000 
1 1 1   26   17   23 o   11.050   1.9690 5.477000 3.939000 
1 1 1   26   17   24 o   5.7690   1.8310 1.713000 3.663000 
1 1 1   26   17   25 o   16.020   4.0970      ?      ? 
1 1 1   26   18    0 o   6.2240   2.6770 -0.000000 0.000000 
1 1 1   26   18    1 o   20.150   1.0880 2.324000 2.175000 
1 1 1   26   18    2 o   28.580   0.8043 2.319000 1.609000 
1 1 1   26   18    3 o   15.000   1.4950 -0.3522000 2.989000 
1 1 1   26   18    4 o   14.080   1.6300 -4.603000 3.261000 
1 1 1   26   18    5 o   17.270   1.4990 0.4238000 2.997000 
1 1 1   26   18    6 o   6.7800   1.8400 -4.646000 3.681000 
1 1 1   26   18    7 o   18.880   1.2010 -1.490000 2.401000 
1 1 1   26   18    8 o   12.220   1.8630 -1.415000 3.726000 
1 1 1   26   18    9 o   20.000   1.1500 2.998000 2.301000 
1 1 1   26   18   10 o   25.120   0.9306 -1.152000 1.861000 
1 1 1   26   18   11 o   19.480   1.2260 -4.566000 2.453000 
1 1 1   26   18   12 o   24.990   0.9626 -2.926000 1.925000 
1 1 1   26   18   13 o   16.190   1.5810 0.1295000 3.162000 
1 1 1   26   18   14 o   6.5590   1.9950 2.488000 3.990000 
1 1 1   26   18   15 o   8.7690   2.1640 3.455000 4.327000 
1 1 1   26   18   16 o   9.7090   2.1790 2.896000 4.358000 
1 1 1   26   18   17 o   6.0230   1.8980 2.452000 3.797000 
1 1 1   26   18   18 o   7.6230   1.9900 -3.472000 3.979000 
1 1 1   26   18   19 o   5.1790   1.7150 -0.8861000 3.431000 
1 1 1   26   18   20 f   9.1640   2.0970 4.192000 4.193000 
1 1 1   26   18   21 o   7.5480   1.9840 -3.300000 3.969000 
1 1 1   26   18   22 o   7.5640   2.0930 0.3532000 4.186000 
1 1 1   26   18   23 o   7.8820   1.9210 -4.200000 3.842000 
1 1 1   26   19    0 o   12.530   2.6980 -0.000000 0.000000 
1 1 1   26   19    1 o   23.580   1.0180 2.072000 2.035000 
1 1 1   26   19    2 o   24.690   0.9630 0.4394000 1.926000 
1 1 1   26   19    3 o   7.0860   2.0470 0.5040000 4.094000 
1 1 1   26   19    4 o   10.750   2.0250 3.661000 4.049000 
1 1 1   26   19    5 o   6.8740   1.9250 -4.082000 3.850000 
1 1 1   26   19    6 o   10.040   2.1470 0.3441000E-02 4.295000 
1 1 1   26   19    7 o   26.920   0.9239 -1.453000 1.848000 
1 1 1   26   19    8 o   14.010   1.7880 3.429000 3.577000 
1 1 1   26   19    9 o   10.730   2.1160 -1.201000 4.231000 
1 1 1   26   19   10 o   10.960   1.9520 5.859000 3.905000 
1 1 1   26   19   11 o   8.9960   2.1030 3.109000 4.207000 
1 1 1   26   19   12 o   8.4090   2.1390 0.7498000 4.278000 
1 1 1   26   19   13 o   8.7190   2.0680 3.377000 4.137000 
1 1 1   26   19   14 o   7.6660   2.0620 2.487000 4.124000 
1 1 1   26   19   15 o   10.400   2.1320 -2.531000 4.264000 
1 1 1   26   19   16 o   8.5880   2.2010 0.9295000 4.403000 
1 1 1   26   19   17 o   5.6960   1.8480 0.4967000 3.696000 
1 1 1   26   19   18 o   6.8550   2.0340 1.796000 4.069000 
1 1 1   26   19   19 o   6.3160   1.9570 0.7971000 3.914000 
1 1 1   26   19   20 o   9.3740   2.1510 2.146000 4.301000 
1 1 1   26   19   21 o   10.020   2.0950 2.945000 4.189000 
1 1 1   26   20    0 o   21.790   1.6220 -0.000000 0.000000 
1 1 1   26   20    1 o   11.060   2.0980 2.883000 4.197000 
1 1 1   26   20    2 o   19.550   1.2630 -0.7861000 2.526000 
1 1 1   26   20    3 o   12.000   2.0280 -0.7982000 4.056000 
1 1 1   26   20    4 o   11.960   2.0220 0.1936000 4.044000 
1 1 1   26   20    5 o   8.5900   2.1770 -0.6689000 4.354000 
1 1 1   26   20    6 o   10.440   2.1560 -1.378000 4.311000 
1 1 1   26   20    7 o   12.280   1.9890 -3.539000 3.977000 
1 1 1   26   20    8 o   12.380   1.9940 -1.243000 3.988000 
1 1 1   26   20    9 o   10.810   2.1350 -0.8180000 4.270000 
1 1 1   26   20   10 o   6.1450   1.9290 -0.9166000 3.859000 
1 1 1   26   20   11 o   9.4800   2.0660 4.302000 4.133000 
1 1 1   26   20   12 o   9.5500   2.1070 -1.978000 4.214000 
1 1 1   26   20   13 o   7.9000   2.0880 -0.6041000E-01 4.176000 
1 1 1   26   20   14 o   6.8860   1.9580 -2.460000 3.916000 
1 1 1   26   20   15 o   7.2600   2.0420 -1.371000 4.085000 
1 1 1   26   20   16 o   8.6920   2.1980 1.153000 4.396000 
1 1 1   26   20   17 o   7.9130   2.1360 2.166000 4.273000 
1 1 1   26   20   18 o   6.7060   1.9150 -2.752000 3.830000 
1 1 1   26   20   19 o   8.3310   1.9680 -4.036000 3.936000 
1 1 1   26   21    0 f   13.870   2.6110 -0.000000 0.000000 
1 1 1   26   21    1 o   9.1360   2.2510 -2.409000 4.503000 
1 1 1   26   21    2 o   10.850   2.2020 -0.7564000 4.404000 
1 1 1   26   21    3 o   9.8810   2.1560 -3.426000 4.312000 
1 1 1   26   21    4 f   11.830   2.0720 1.866000 4.143000 
1 1 1   26   21    5 o   7.6100   2.1370 0.6727000 4.274000 
1 1 1   26   21    6 o   9.0110   2.2220 1.164000 4.444000 
1 1 1   26   21    7 o   6.8330   2.0260 -2.176000 4.052000 
1 1 1   26   21    8 o   6.0550   1.9090 1.163000 3.817000 
1 1 1   26   21    9 o   9.3850   1.8550 7.506000 3.709000 
1 1 1   26   21   10 f   18.160   1.3450 0.5772000 2.691000 
1 1 1   26   21   11 o   6.0210   1.8730 -2.322000 3.747000 
1 1 1   26   21   12 o   10.350   2.0910 1.492000 4.182000 
1 1 1   26   21   13 o   8.5400   2.1120 0.9665000 4.225000 
1 1 1   26   21   14 o   8.0960   2.0890 0.1109000 4.178000 
1 1 1   26   21   15 o   6.0990   1.8800 0.8550000 3.760000 
1 1 1   26   21   16 o   6.2660   1.8880 -0.7495000 3.777000 
1 1 1   26   21   17 o   5.3270   1.7500 -0.5015000 3.500000 
1 1 1   26   22    0 o   8.0390   3.0830 -0.000000 0.000000 
1 1 1   26   22    1 o   8.1900   2.1150 3.133000 4.230000 
1 1 1   26   22    2 f   7.0550   2.0950 -0.5140000E-01 4.190000 
1 1 1   26   22    3 o   13.410   1.9190 -1.899000 3.839000 
1 1 1   26   22    4 o   10.940   2.1330 1.957000 4.266000 
1 1 1   26   22    5 o   8.2930   2.1800 -0.2209000 4.361000 
1 1 1   26   22    6 o   13.900   1.8430 -5.530000 3.686000 
1 1 1   26   22    7 o   8.2290   2.1540 1.119000 4.309000 
1 1 1   26   22    8 o   8.7260   2.1590 1.448000 4.318000 
1 1 1   26   22    9 o   7.1520   2.0230 2.176000 4.047000 
1 1 1   26   22   10 o   7.2650   2.0590 0.5549000E-01 4.118000 
1 1 1   26   22   11 o   9.0640   1.9660 5.171000 3.932000 
1 1 1   26   22   12 o   5.4760   1.7650 -0.8805000 3.530000 
1 1 1   26   22   13 o   6.8880   1.8790 3.558000 3.757000 
1 1 1   26   22   14 o   10.480   1.8610 4.993000 3.722000 
1 1 1   26   23    0 o   23.250   1.5540 -0.000000 0.000000 
1 1 1   26   23    1 o   7.0590   2.0280 -2.856000 4.057000 
1 1 1   26   23    2 o   9.8440   2.0690 -4.580000 4.137000 
1 1 1   26   23    3 o   5.9050   1.8600 2.675000 3.720000 
1 1 1   26   23    4 o   9.1170   2.1880 2.242000 4.376000 
1 1 1   26   23    5 o   11.710   2.0400 1.127000 4.080000 
1 1 1   26   23    6 o   8.1000   2.0330 4.510000 4.066000 
1 1 1   26   23    7 o   6.2400   1.9340 0.7002000 3.867000 
1 1 1   26   23    8 o   7.0860   2.0270 0.8805000 4.054000 
1 1 1   26   23    9 o   7.2220   1.9770 -2.515000 3.954000 
1 1 1   26   23   10 o   6.1260   1.8570 -1.812000 3.715000 
1 1 1   26   23   11 o   5.8550   1.8810 -2.726000 3.762000 
1 1 1   26   24    0 o   7.8170   2.9990 -0.000000 0.000000 
1 1 1   26   24    1 f   5.4910   1.7860 1.290000 3.572000 
1 1 1   26   24    2 o   7.8980   2.0970 -1.212000 4.194000 
1 1 1   26   24    3 o   6.5330   1.9700 0.1747000 3.941000 
1 1 1   26   24    4 o   4.6750   1.5980 0.7487000 3.195000 
1 1 1   26   24    5 o   9.0400   2.4840 2.512000 4.968000 
1 1 1   27    0    1 o  131.000   1.3680 -0.000000 0.000000 
1 1 1   27    0    2 o   38.620   0.4563 -0.000000 0.000000 
1 1 1   27    0    3 o   55.280   0.6937 -0.000000 0.000000 
1 1 1   27    0    4 o   10.120   0.8045 -0.000000 0.000000 
1 1 1   27    0    5 o   38.950   0.5294 -0.000000 0.000000 
1 1 1   27    0    6 o   95.400   1.1560 -0.000000 0.000000 
1 1 1   27    0    7 o   44.710   0.5839 -0.000000 0.000000 
1 1 1   27    0    8 o   48.340   0.6180 -0.000000 0.000000 
1 1 1   27    0    9 o   48.520   0.6201 -0.000000 0.000000 
1 1 1   27    0   10 o   28.340   0.5862 -0.000000 0.000000 
1 1 1   27    0   11 o   60.580   0.9227 -0.000000 0.000000 
1 1 1   27    0   13 o   3.8650   1.6050 -0.000000 0.000000 
1 1 1   27    0   14 o   13.690   0.8039 -0.000000 0.000000 
1 1 1   27    0   15 o   62.800   0.9621 -0.000000 0.000000 
1 1 1   27    0   16 o   56.360   0.8799 -0.000000 0.000000 
1 1 1   27    0   17 o   10.030   1.0950 -0.000000 0.000000 
1 1 1   27    0   18 o   25.650   0.6086 -0.000000 0.000000 
1 1 1   27    0   19 o   40.860   0.7040 -0.000000 0.000000 
1 1 1   27    0   20 o   9.9310   1.1220 -0.000000 0.000000 
1 1 1   27    0   21 o   73.690   1.1440 -0.000000 0.000000 
1 1 1   27    0   22 o   7.6630   2.9340 -0.000000 0.000000 
1 1 1   27    0   23 o   32.750   1.2540 -0.000000 0.000000 
1 1 1   27    0   24 o   8.9060   3.2190 -0.000000 0.000000 
1 1 1   27    0   25 o   36.430   1.3030 -0.000000 0.000000 
1 1 1   27    0   26 o   22.310   1.8650 -0.000000 0.000000 
1 1 1   27    0   27 o   7.4010   3.1870 -0.000000 0.000000 
1 1 1   27    0   28 o   26.960   1.7850 -0.000000 0.000000 
1 1 1   27    0   29 f   5.7720   2.7550 -0.000000 0.000000 
1 1 1   27    0   30 o   10.770   3.5550 -0.000000 0.000000 
1 1 1   27    0   31 o   11.230   3.7360 -0.000000 0.000000 
1 1 1   27    0   32 o   7.2340   3.2370 -0.000000 0.000000 
1 1 1   27    0   33 o   7.9950   3.3910 -0.000000 0.000000 
1 1 1   27    0   34 o   10.180   3.5970 -0.000000 0.000000 
1 1 1   27    1    0 o   58.410   0.8926 -0.000000 0.000000 
1 1 1   27    1    1 o   38.780   0.4630 3.003000 0.9259000 
1 1 1   27    1    2 o   58.480   0.6318 2.789000 1.264000 
1 1 1   27    1    3 o   96.330   1.0120 -0.2143000 2.023000 
1 1 1   27    1    4 o   39.710   0.4682 4.684000 0.9364000 
1 1 1   27    1    5 o   59.750   0.6433 -0.9450000E-01 1.287000 
1 1 1   27    1    6 o   43.390   0.4983 1.701000 0.9967000 
1 1 1   27    1    7 o   57.310   0.6208 -1.536000 1.242000 
1 1 1   27    1    8 o   43.570   0.4984 5.347000 0.9968000 
1 1 1   27    1    9 f   23.860   0.3736 0.2230000 0.7471000 
1 1 1   27    1   10 o   58.860   0.5767 3.995000 1.153000 
1 1 1   27    1   11 o   56.600   0.5580 2.064000 1.116000 
1 1 1   27    1   12 o   56.130   0.7007      ?      ? 
1 1 1   27    1   13 o   49.790   0.5101 -5.542000 1.020000 
1 1 1   27    1   14 o   40.510   0.4676 -2.980000 0.9351000 
1 1 1   27    1   15 o   14.210   0.5055 -0.5875000 1.011000 
1 1 1   27    1   16 o   40.470   0.4432 -1.830000 0.8864000 
1 1 1   27    1   17 f   56.310   0.5653 -1.579000 1.131000 
1 1 1   27    1   18 o   15.800   0.5050 1.133000 1.010000 
1 1 1   27    1   19 f   81.040   0.7870 1.782000 1.574000 
1 1 1   27    1   20 o   78.330   0.7657 0.9714000 1.531000 
1 1 1   27    1   21 o   15.000   0.5259 0.3345000 1.052000 
1 1 1   27    1   22 o   40.300   0.5141 1.295000 1.028000 
1 1 1   27    1   23 o   11.680   1.5720 -3.087000 3.143000 
1 1 1   27    1   24 o   41.730   0.8799 0.7787000 1.760000 
1 1 1   27    1   25 o   7.4720   2.1440 -2.126000 4.289000 
1 1 1   27    1   26 o   9.0650   2.0220 8.035000 4.044000 
1 1 1   27    1   27 o   6.7860   2.1190 -1.061000 4.237000 
1 1 1   27    1   28 o   10.710   2.5400 -0.8797000 5.080000 
1 1 1   27    1   29 o   9.4780   2.5470 -0.2526000 5.094000 
1 1 1   27    1   30 o   35.190   1.1380 -2.694000 2.277000 
1 1 1   27    1   31 o   18.310   1.9590 1.258000 3.918000 
1 1 1   27    1   32 f   9.7490   2.4710 -4.195000 4.943000 
1 1 1   27    1   33 o   13.710   2.4550 0.2328000 4.910000 
1 1 1   27    1   34 o   9.4540   2.4700 -2.682000 4.939000 
1 1 1   27    2    0 o  107.500   1.5930 -0.000000 0.000000 
1 1 1   27    2    1 o   66.170   0.7070 0.8030000 1.414000 
1 1 1   27    2    2 o  139.300   1.4540 4.733000 2.909000 
1 1 1   27    2    3 f   8.0780   1.0030 -5.452000 2.006000 
1 1 1   27    2    4 f  142.000   1.4820 1.617000 2.964000 
1 1 1   27    2    5 o  107.500   1.1260 3.175000 2.252000 
1 1 1   27    2    6 o   96.400   1.0120 -2.987000 2.025000 
1 1 1   27    2    7 o   47.540   0.5350 -4.674000 1.070000 
1 1 1   27    2    8 o   38.170   0.4664 6.141000 0.9327000 
1 1 1   27    2    9 o   47.590   0.5352 3.657000 1.070000 
1 1 1   27    2   10 f   46.090   0.5238 4.309000 1.048000 
1 1 1   27    2   11 o   40.120   0.4786 -1.532000 0.9572000 
1 1 1   27    2   12 o   49.960   0.5575 -6.476000 1.115000 
1 1 1   27    2   13 o   30.740   0.4356 3.501000 0.8713000 
1 1 1   27    2   14 o   6.7560   1.2200 0.2593000 2.440000 
1 1 1   27    2   15 o   49.980   0.5665 0.5759000 1.133000 
1 1 1   27    2   16 o   23.950   0.4788 3.729000 0.9576000 
1 1 1   27    2   17 o   29.820   0.4615 -1.841000 0.9231000 
1 1 1   27    2   18 o   50.660   0.5253 -1.554000 1.051000 
1 1 1   27    2   19 o   55.360   0.6104      ?      ? 
1 1 1   27    2   20 o   27.970   0.4078 -1.875000 0.8156000 
1 1 1   27    2   21 o   40.900   0.5751      ?      ? 
1 1 1   27    2   22 o   14.460   0.6421 -0.2623000 1.284000 
1 1 1   27    2   23 o   41.960   0.6336 -1.620000 1.267000 
1 1 1   27    2   24 o   39.380   0.6171 -0.2046000 1.234000 
1 1 1   27    2   25 o   17.570   0.6295 -0.1627000E-02 1.259000 
1 1 1   27    2   26 o   32.080   0.7911 -3.124000 1.582000 
1 1 1   27    2   27 o   18.410   1.3300 2.372000 2.661000 
1 1 1   27    2   28 o   26.430   0.8967 -1.945000 1.793000 
1 1 1   27    2   29 o   13.670   2.3910 -3.954000 4.782000 
1 1 1   27    2   30 o   18.660   1.9160 -1.224000 3.832000 
1 1 1   27    2   31 o   16.930   2.0820 4.281000 4.164000 
1 1 1   27    2   32 o   17.730   1.9300 -1.067000 3.860000 
1 1 1   27    2   33 o   13.740   2.4230 0.3108000 4.845000 
1 1 1   27    2   34 o   14.530   2.2520 1.201000 4.504000 
1 1 1   27    3    0 o   55.050   0.8555 -0.000000 0.000000 
1 1 1   27    3    1 o   63.590   0.6851 -1.457000 1.370000 
1 1 1   27    3    2 o   37.180   0.4645 0.9189000 0.9291000 
1 1 1   27    3    3 o   42.270   0.4980 6.087000 0.9960000 
1 1 1   27    3    4 o   15.120   0.6085 -4.978000 1.217000 
1 1 1   27    3    5 o   17.240   0.5228 2.765000 1.046000 
1 1 1   27    3    6 o   58.030   0.6323 4.388000 1.265000 
1 1 1   27    3    7 o   77.130   0.8193 7.801000 1.639000 
1 1 1   27    3    8 o   6.4740   1.1740 3.543000 2.349000 
1 1 1   27    3    9 o   12.410   0.7324 2.232000 1.465000 
1 1 1   27    3   10 o   58.590   0.6403 -0.2134000 1.281000 
1 1 1   27    3   11 o   17.730   0.5379 -0.5868000 1.076000 
1 1 1   27    3   12 o   20.480   0.4846 1.843000 0.9692000 
1 1 1   27    3   13 o   43.800   0.5164 -1.616000 1.033000 
1 1 1   27    3   14 o   8.4390   1.1690 -1.982000 2.338000 
1 1 1   27    3   15 o   38.790   0.5003 -3.931000 1.001000 
1 1 1   27    3   16 o   68.740   0.6790 -0.4020000 1.358000 
1 1 1   27    3   17 o   16.310   0.5966 -0.3746000E-02 1.193000 
1 1 1   27    3   18 o   49.530   0.5740 1.320000 1.148000 
1 1 1   27    3   19 o   39.060   0.4699 -0.5383000 0.9398000 
1 1 1   27    3   20 o   68.780   0.6836 2.319000 1.367000 
1 1 1   27    3   21 o   54.720   0.5745 -1.032000 1.149000 
1 1 1   27    3   22 o   19.210   0.5967 -0.2404000 1.193000 
1 1 1   27    3   23 o   31.060   0.4817 -1.228000 0.9634000 
1 1 1   27    3   24 o   23.450   0.5444 -2.898000 1.089000 
1 1 1   27    3   25 o   44.060   0.5936 -1.655000 1.187000 
1 1 1   27    3   26 o   20.840   0.7163 -1.413000 1.433000 
1 1 1   27    3   27 o   54.220   0.6655 0.4495000 1.331000 
1 1 1   27    3   28 o   14.460   1.3510      ?      ? 
1 1 1   27    3   29 f   38.690   0.8276      ?      ? 
1 1 1   27    3   30 o   19.780   0.9952      ?      ? 
1 1 1   27    3   31 o   11.880   1.8880 4.914000 3.775000 
1 1 1   27    3   32 o   11.840   1.9570 -3.014000 3.915000 
1 1 1   27    3   33 o   8.6850   1.8700 1.204000 3.741000 
1 1 1   27    3   34 o   11.460   1.8390 1.144000 3.678000 
1 1 1   27    4    0 o   28.070   0.6375 -0.000000 0.000000 
1 1 1   27    4    1 o   63.790   0.6917 0.4542000 1.383000 
1 1 1   27    4    2 o   84.320   0.8924 0.5160000 1.785000 
1 1 1   27    4    3 o   24.610   0.4764 3.101000 0.9528000 
1 1 1   27    4    4 o   32.120   0.4610 -0.5505000 0.9221000 
1 1 1   27    4    5 o   71.480   0.7652 -0.6437000 1.530000 
1 1 1   27    4    6 o   51.490   0.5799 -4.346000 1.160000 
1 1 1   27    4    7 o   73.540   0.7869 -8.280000 1.574000 
1 1 1   27    4    8 o   5.9460   1.2720 3.213000 2.545000 
1 1 1   27    4    9 o   43.570   0.5222 2.874000 1.044000 
1 1 1   27    4   10 o   45.040   0.5340 -5.853000 1.068000 
1 1 1   27    4   11 o   52.730   0.5915 -5.181000 1.183000 
1 1 1   27    4   12 o   54.570   0.6095 0.1030000 1.219000 
1 1 1   27    4   13 f   26.400   0.4809 -1.240000 0.9619000 
1 1 1   27    4   14 o   18.170   0.5735 1.450000 1.147000 
1 1 1   27    4   15 o   64.190   0.6430 -3.426000 1.286000 
1 1 1   27    4   16 o   34.120   0.4562 -0.4745000E-01 0.9123000 
1 1 1   27    4   17 o   14.810   0.7089 -0.5554000 1.418000 
1 1 1   27    4   18 o   38.950   0.5242 -2.506000 1.048000 
1 1 1   27    4   19 o   43.190   0.4989 3.534000 0.9979000 
1 1 1   27    4   20 o   47.330   0.5279 -2.836000 1.056000 
1 1 1   27    4   21 o   53.930   0.5752 1.192000 1.150000 
1 1 1   27    4   22 o   38.790   0.5135 2.811000 1.027000 
1 1 1   27    4   23 o   79.790   0.7921 -2.493000 1.584000 
1 1 1   27    4   24 o   52.950   0.5845 -2.594000 1.169000 
1 1 1   27    4   25 o   37.260   0.5406 0.4260000 1.081000 
1 1 1   27    4   26 o   28.580   0.6213      ?      ? 
1 1 1   27    4   27 o   40.930   0.5527 -0.8438000 1.105000 
1 1 1   27    4   28 o   30.320   0.6141 4.004000 1.228000 
1 1 1   27    4   29 o   18.300   1.6690 2.385000 3.337000 
1 1 1   27    4   30 o   9.2650   2.2210 0.6880000E-01 4.441000 
1 1 1   27    4   31 f   18.090   1.7490 5.105000 3.497000 
1 1 1   27    4   32 o   11.410   1.9120 5.144000 3.823000 
1 1 1   27    4   33 o   11.330   1.9350      ?      ? 
1 1 1   27    4   34 o   13.360   1.6480      ?      ? 
1 1 1   27    5    0 o   87.980   1.3190 -0.000000 0.000000 
1 1 1   27    5    1 o   21.610   0.5353 2.158000 1.071000 
1 1 1   27    5    2 o   63.690   0.6935 4.153000 1.387000 
1 1 1   27    5    3 o   50.390   0.5758 -1.878000 1.152000 
1 1 1   27    5    4 o   12.760   0.8390 -2.908000 1.678000 
1 1 1   27    5    5 o   52.850   0.5998 -4.077000 1.200000 
1 1 1   27    5    6 o   52.120   0.5920 -2.219000 1.184000 
1 1 1   27    5    7 f   35.440   0.4940 4.591000 0.9879000 
1 1 1   27    5    8 o   31.710   0.4880 -4.143000 0.9760000 
1 1 1   27    5    9 o   80.850   0.8610 -0.4142000 1.722000 
1 1 1   27    5   10 o   51.640   0.5910 -0.1425000 1.182000 
1 1 1   27    5   11 o   10.180   1.0520 3.181000 2.104000 
1 1 1   27    5   12 o   59.160   0.5991 1.057000 1.198000 
1 1 1   27    5   13 o   49.200   0.5232 2.493000 1.046000 
1 1 1   27    5   14 o   14.380   0.7404 -1.870000 1.481000 
1 1 1   27    5   15 o   38.740   0.4766 -0.7557000 0.9532000 
1 1 1   27    5   16 o   7.9990   1.3290 2.946000 2.657000 
1 1 1   27    5   17 o   31.490   0.4750 -0.9822000 0.9500000 
1 1 1   27    5   18 o   34.000   0.4841 1.584000 0.9682000 
1 1 1   27    5   19 o   53.480   0.5708 -0.1064000 1.142000 
1 1 1   27    5   20 f   28.710   0.5513 3.149000 1.103000 
1 1 1   27    5   21 o   5.2770   1.4950 -3.129000 2.990000 
1 1 1   27    5   22 f   28.990   0.6212 -1.318000 1.242000 
1 1 1   27    5   23 o   9.3670   1.5920 -3.023000 3.184000 
1 1 1   27    5   24 o   33.430   0.5577 -0.6064000 1.115000 
1 1 1   27    5   25 o   48.570   0.6428 0.2275000 1.286000 
1 1 1   27    5   26 o   30.330   0.6256 1.289000 1.251000 
1 1 1   27    5   27 o   10.710   1.5060 -2.209000 3.012000 
1 1 1   27    5   28 o   31.550   0.6323 0.2929000 1.265000 
1 1 1   27    5   29 f   31.700   0.6514 2.023000 1.303000 
1 1 1   27    5   30 o   19.190   1.2450 8.949000 2.489000 
1 1 1   27    5   31 o   14.310   1.8990 5.079000 3.797000 
1 1 1   27    5   32 o   18.600   1.2910 -1.804000 2.583000 
1 1 1   27    5   33 o   8.7390   2.0060 2.290000 4.012000 
1 1 1   27    5   34 f   8.5360   2.0300 2.079000 4.060000 
1 1 1   27    6    0 o   42.640   0.7486 -0.000000 0.000000 
1 1 1   27    6    1 o   33.520   0.4965 -4.579000 0.9929000 
1 1 1   27    6    2 o   53.990   0.6157 1.416000 1.231000 
1 1 1   27    6    3 o   30.420   0.5058 4.688000 1.012000 
1 1 1   27    6    4 o   62.110   0.6861 -0.1290000 1.372000 
1 1 1   27    6    5 o   19.520   0.6316 -2.170000 1.263000 
1 1 1   27    6    6 o   90.630   0.9618 2.120000 1.924000 
1 1 1   27    6    7 o   74.000   0.8008 6.422000 1.602000 
1 1 1   27    6    8 o   19.760   0.5829 1.139000 1.166000 
1 1 1   27    6    9 o   43.720   0.5014 -0.7494000 1.003000 
1 1 1   27    6   10 o   51.580   0.5511 -2.602000 1.102000 
1 1 1   27    6   11 o   25.180   0.5217 -2.437000 1.043000 
1 1 1   27    6   12 o   38.280   0.4858 -1.594000 0.9717000 
1 1 1   27    6   13 o   28.900   0.4967 6.609000 0.9935000 
1 1 1   27    6   14 o   31.370   0.4892 -2.107000 0.9784000 
1 1 1   27    6   15 o   33.720   0.4851 -1.469000 0.9703000 
1 1 1   27    6   16 o   37.400   0.4979 -6.589000 0.9959000 
1 1 1   27    6   17 o   13.970   1.0230 0.4842000E-02 2.045000 
1 1 1   27    6   18 o   36.400   0.5110 0.6809000 1.022000 
1 1 1   27    6   19 f   66.150   0.6725 2.286000 1.345000 
1 1 1   27    6   20 o   14.150   0.9910 -5.394000 1.982000 
1 1 1   27    6   21 o   12.780   1.1670 1.750000 2.335000 
1 1 1   27    6   22 o   23.880   0.7077 2.187000 1.415000 
1 1 1   27    6   23 o   35.520   0.5813 1.837000 1.163000 
1 1 1   27    6   24 o   26.450   0.6851 3.564000 1.370000 
1 1 1   27    6   25 o   12.320   1.5190 6.996000 3.038000 
1 1 1   27    6   26 o   5.4310   1.6570 -0.3626000 3.313000 
1 1 1   27    6   27 o   32.400   0.6464 -0.2906000 1.293000 
1 1 1   27    6   28 o   10.370   2.8580      ?      ? 
1 1 1   27    6   29 o   21.310   0.8459 -4.018000 1.692000 
1 1 1   27    6   30 o   11.610   1.5790 -2.970000 3.159000 
1 1 1   27    6   31 o   6.1870   1.7650 -2.234000 3.531000 
1 1 1   27    6   32 f   8.7220   2.1370 -5.910000 4.275000 
1 1 1   27    6   33 o   15.400   1.4190 -3.815000 2.838000 
1 1 1   27    7    0 o   36.970   0.7602 -0.000000 0.000000 
1 1 1   27    7    1 o   97.190   1.0300 -0.7931000 2.059000 
1 1 1   27    7    2 o   46.280   0.5756 3.217000 1.151000 
1 1 1   27    7    3 o   97.670   1.0350 0.6701000 2.070000 
1 1 1   27    7    4 o   25.650   0.5556 -1.003000 1.111000 
1 1 1   27    7    5 o   22.790   0.5610 1.137000 1.122000 
1 1 1   27    7    6 o   57.770   0.6038 -2.992000 1.208000 
1 1 1   27    7    7 o   30.140   0.4909 -0.5435000 0.9818000 
1 1 1   27    7    8 o   50.370   0.5496 -2.911000 1.099000 
1 1 1   27    7    9 o   32.000   0.4916 -1.139000 0.9833000 
1 1 1   27    7   10 o   64.840   0.6580 1.041000 1.316000 
1 1 1   27    7   11 o   24.040   0.5757 1.391000 1.151000 
1 1 1   27    7   12 o   12.060   1.0610 -3.823000 2.122000 
1 1 1   27    7   13 o   27.230   0.5296 1.134000 1.059000 
1 1 1   27    7   14 o   54.690   0.5830 0.8975000 1.166000 
1 1 1   27    7   15 o   19.430   0.6727 -0.5639000 1.345000 
1 1 1   27    7   16 o   63.100   0.6498 -1.219000 1.300000 
1 1 1   27    7   17 o   27.430   0.6397 -2.134000 1.279000 
1 1 1   27    7   18 o   16.850   0.9765 -0.5492000 1.953000 
1 1 1   27    7   19 o   8.2160   1.3290 7.082000 2.657000 
1 1 1   27    7   20 o   17.540   0.9619 -1.329000 1.924000 
1 1 1   27    7   21 o   23.520   0.7890 2.914000 1.578000 
1 1 1   27    7   22 f   43.050   0.6312 -1.691000 1.262000 
1 1 1   27    7   23 o   44.940   0.5833 -0.7567000 1.167000 
1 1 1   27    7   24 o   33.920   0.6218 -0.5961000 1.244000 
1 1 1   27    7   25 o   18.550   1.0050 -0.4345000E-01 2.011000 
1 1 1   27    7   26 o   29.620   0.7842 1.131000 1.568000 
1 1 1   27    7   27 o   43.690   0.6313 -2.032000 1.263000 
1 1 1   27    7   28 o   24.750   0.9012 -1.736000 1.802000 
1 1 1   27    7   29 o   5.6090   1.7840 -1.904000 3.568000 
1 1 1   27    7   30 o   5.1790   1.6670 -0.8919000 3.333000 
1 1 1   27    7   31 o   15.150   1.3280 2.728000 2.656000 
1 1 1   27    7   32 o   7.5400   1.7830 -4.912000 3.566000 
1 1 1   27    7   33 o   8.4910   2.0470 0.3979000 4.094000 
1 1 1   27    8    0 o   77.520   1.1880 -0.000000 0.000000 
1 1 1   27    8    1 o   76.330   0.7522 8.264000 1.504000 
1 1 1   27    8    2 o   81.250   0.7992 0.8941000 1.598000 
1 1 1   27    8    3 o   60.880   0.6957 -8.940000 1.391000 
1 1 1   27    8    4 o   45.200   0.5303 5.723000 1.061000 
1 1 1   27    8    5 o   46.290   0.5351 2.887000 1.070000 
1 1 1   27    8    6 o   40.160   0.5113 0.2494000 1.023000 
1 1 1   27    8    7 o   35.890   0.5076 -2.099000 1.015000 
1 1 1   27    8    8 o   10.850   1.2130 -3.636000 2.427000 
1 1 1   27    8    9 o   36.440   0.5217 -9.234000 1.043000 
1 1 1   27    8   10 o   15.890   0.8448 1.076000 1.690000 
1 1 1   27    8   11 f   22.980   0.6481 -7.088000 1.296000 
1 1 1   27    8   12 o   22.260   0.6630 0.5036000 1.326000 
1 1 1   27    8   13 o   25.960   0.5869 0.8337000 1.174000 
1 1 1   27    8   14 o   20.110   0.6260 -0.3594000 1.252000 
1 1 1   27    8   15 o   29.550   0.4880 0.1046000 0.9761000 
1 1 1   27    8   16 o   30.110   0.4984 -1.631000 0.9968000 
1 1 1   27    8   17 o   22.680   0.6076 2.098000 1.215000 
1 1 1   27    8   18 o   17.500   0.7851 -2.929000 1.570000 
1 1 1   27    8   19 o   7.8630   1.6660 4.560000 3.332000 
1 1 1   27    8   20 o   11.210   1.4860 -1.959000 2.973000 
1 1 1   27    8   21 o   16.930   0.8754 3.664000 1.751000 
1 1 1   27    8   22 o   13.970   1.3960 -5.094000 2.791000 
1 1 1   27    8   23 o   37.030   0.6069 -1.792000 1.214000 
1 1 1   27    8   24 o   17.860   0.8954 2.361000 1.791000 
1 1 1   27    8   25 o   10.720   1.4880 3.588000 2.977000 
1 1 1   27    8   26 o   26.760   0.6432 -1.011000 1.286000 
1 1 1   27    8   27 o   20.790   0.8048 0.2850000 1.610000 
1 1 1   27    8   28 o   18.510   0.8861 -1.379000 1.772000 
1 1 1   27    8   29 o   10.720   1.5120 -4.712000 3.025000 
1 1 1   27    8   30 o   20.730   0.7668 -2.357000 1.534000 
1 1 1   27    8   31 o   6.5230   1.6930 0.2900000 3.387000 
1 1 1   27    8   32 o   5.8800   1.6310 -0.9149000E-01 3.262000 
1 1 1   27    9    0 o   5.0180   2.0840 -0.000000 0.000000 
1 1 1   27    9    1 o   19.710   0.6863 -5.833000 1.373000 
1 1 1   27    9    2 o   42.760   0.4874 4.435000 0.9749000 
1 1 1   27    9    3 o   30.990   0.5032 -3.389000 1.006000 
1 1 1   27    9    4 o   24.630   0.6241 -3.789000 1.248000 
1 1 1   27    9    5 o   24.640   0.6228 0.8056000 1.246000 
1 1 1   27    9    6 o   45.100   0.5439 -3.580000 1.088000 
1 1 1   27    9    7 o   20.900   0.7066 -1.051000 1.413000 
1 1 1   27    9    8 o   20.590   0.7012 -0.6048000 1.402000 
1 1 1   27    9    9 o   26.250   0.5319 -1.570000 1.064000 
1 1 1   27    9   10 o   15.920   0.8174 3.687000 1.635000 
1 1 1   27    9   11 o   12.610   1.0200 3.557000 2.040000 
1 1 1   27    9   12 o   18.700   0.7089 0.5546000 1.418000 
1 1 1   27    9   13 o   13.250   1.0500 5.389000 2.100000 
1 1 1   27    9   14 f   36.260   0.4908 -1.873000 0.9816000 
1 1 1   27    9   15 o   23.410   0.6978 1.622000 1.396000 
1 1 1   27    9   16 o   31.740   0.5815 -1.020000 1.163000 
1 1 1   27    9   17 o   36.490   0.5142 -2.826000 1.028000 
1 1 1   27    9   18 f   22.950   0.7691 -0.1237000 1.538000 
1 1 1   27    9   19 o   37.210   0.5305 -5.404000 1.061000 
1 1 1   27    9   20 o   27.160   0.7202 -1.171000 1.440000 
1 1 1   27    9   21 o   35.950   0.5517 -4.103000 1.103000 
1 1 1   27    9   22 o   23.380   0.7216 1.806000 1.443000 
1 1 1   27    9   23 o   30.220   0.6346 -1.786000 1.269000 
1 1 1   27    9   24 o   12.510   1.4390 2.745000 2.878000 
1 1 1   27    9   25 o   23.180   0.7889 -0.1084000 1.578000 
1 1 1   27    9   26 o   9.6510   1.7630 1.434000 3.527000 
1 1 1   27    9   27 o   6.9630   1.8170 1.523000 3.634000 
1 1 1   27    9   28 o   24.990   0.7320 1.332000 1.464000 
1 1 1   27    9   29 o   5.8890   1.7130 -1.376000 3.426000 
1 1 1   27    9   30 o   8.5450   1.6810 3.506000 3.363000 
1 1 1   27    9   31 o   6.2290   1.7010 0.9490000 3.401000 
1 1 1   27    9   32 o   5.2060   1.5770 0.4539000 3.154000 
1 1 1   27   10    0 o   20.570   0.9656 -0.000000 0.000000 
1 1 1   27   10    1 o   34.390   0.5041 -0.5345000 1.008000 
1 1 1   27   10    2 o   27.990   0.6441 -4.260000 1.288000 
1 1 1   27   10    3 o   46.090   0.5128 1.788000 1.026000 
1 1 1   27   10    4 o   39.390   0.5104 6.311000 1.021000 
1 1 1   27   10    5 f   80.800   0.6749 1.382000 1.350000 
1 1 1   27   10    6 o   9.6250   1.3210 0.6004000 2.643000 
1 1 1   27   10    7 o   20.660   0.6681 -4.435000 1.336000 
1 1 1   27   10    8 o   45.210   0.4728 -2.025000 0.9457000 
1 1 1   27   10    9 o   10.830   1.2090 1.493000 2.417000 
1 1 1   27   10   10 o   15.240   0.9128 -3.719000 1.826000 
1 1 1   27   10   11 o   19.190   0.7460 2.689000 1.492000 
1 1 1   27   10   12 o   8.5980   1.4050 -6.884000 2.810000 
1 1 1   27   10   13 o   30.980   0.5407 1.216000 1.081000 
1 1 1   27   10   14 f   16.380   1.0650 -1.478000 2.130000 
1 1 1   27   10   15 o   30.200   0.5692 4.059000 1.138000 
1 1 1   27   10   16 o   29.070   0.5928 -2.818000 1.186000 
1 1 1   27   10   17 o   32.910   0.5648 1.369000 1.130000 
1 1 1   27   10   18 o   36.920   0.5560 -0.9554000 1.112000 
1 1 1   27   10   19 o   22.370   0.7709 0.3435000 1.542000 
1 1 1   27   10   20 o   24.230   0.7486 -3.705000 1.497000 
1 1 1   27   10   21 o   38.820   0.5718 -0.5415000 1.144000 
1 1 1   27   10   22 o   39.220   0.5869 1.336000 1.174000 
1 1 1   27   10   23 o   38.680   0.6000 -0.6954000 1.200000 
1 1 1   27   10   24 o   11.620   1.6540 0.3973000 3.309000 
1 1 1   27   10   25 o   11.260   1.6980 3.010000 3.397000 
1 1 1   27   10   26 o   23.380   0.8461 1.434000 1.692000 
1 1 1   27   10   27 o   7.9760   1.9610 -2.358000 3.923000 
1 1 1   27   10   28 o   11.140   1.6640 0.8092000 3.328000 
1 1 1   27   10   29 o   14.940   1.2690 4.805000 2.539000 
1 1 1   27   10   30 o   12.820   1.3560 0.4931000E-01 2.712000 
1 1 1   27   10   31 o   4.7340   1.5190 -0.6357000 3.038000 
1 1 1   27   11    0 o   43.000   0.7502 -0.000000 0.000000 
1 1 1   27   11    1 o   37.460   0.5385 -5.375000 1.077000 
1 1 1   27   11    2 o   11.430   1.1930 3.075000 2.386000 
1 1 1   27   11    3 o   24.210   0.6110 -0.2600000 1.222000 
1 1 1   27   11    4 o   62.690   0.5660 2.674000 1.132000 
1 1 1   27   11    5 o   30.120   0.5310 -1.052000 1.062000 
1 1 1   27   11    6 f   35.590   0.5023 2.724000 1.005000 
1 1 1   27   11    7 o   28.590   0.5523 2.643000 1.105000 
1 1 1   27   11    8 o   26.410   0.5913 -1.183000 1.183000 
1 1 1   27   11    9 o   36.460   0.5015 2.574000 1.003000 
1 1 1   27   11   10 o   10.970   1.3630 4.452000 2.726000 
1 1 1   27   11   11 o   33.640   0.5189 0.1832000 1.038000 
1 1 1   27   11   12 o   26.360   0.6095 -0.8858000 1.219000 
1 1 1   27   11   13 o   7.5810   1.4020 7.681000 2.804000 
1 1 1   27   11   14 o   11.060   1.4230 3.866000 2.847000 
1 1 1   27   11   15 o   18.450   0.8655 0.4688000 1.731000 
1 1 1   27   11   16 o   33.160   0.5761 -6.080000 1.152000 
1 1 1   27   11   17 o   8.3720   1.7230 3.951000 3.446000 
1 1 1   27   11   18 o   36.050   0.6618 -0.5577000 1.324000 
1 1 1   27   11   19 o   27.580   0.6831 -0.3625000 1.366000 
1 1 1   27   11   20 o   10.050   1.7000 4.029000 3.401000 
1 1 1   27   11   21 o   32.550   0.6250 0.5726000 1.250000 
1 1 1   27   11   22 o   20.210   0.9393 0.2588000 1.879000 
1 1 1   27   11   23 o   13.280   1.5140 4.148000 3.028000 
1 1 1   27   11   24 o   17.200   1.1610 1.880000 2.323000 
1 1 1   27   11   25 o   9.8320   1.8960 1.977000 3.792000 
1 1 1   27   11   26 o   8.7430   1.9170 -1.942000 3.834000 
1 1 1   27   11   27 o   7.8050   1.9380 -1.048000 3.875000 
1 1 1   27   11   28 o   16.790   1.1500 -1.051000 2.300000 
1 1 1   27   11   29 o   5.3880   1.6890 -0.1150000 3.377000 
1 1 1   27   11   30 o   11.850   1.5450 -1.213000 3.091000 
1 1 1   27   11   31 o   6.4030   1.6750 -3.163000 3.350000 
1 1 1   27   12    0 o   20.880   0.9361 -0.000000 0.000000 
1 1 1   27   12    1 o   21.730   0.6517 0.5980000 1.303000 
1 1 1   27   12    2 o   31.850   0.5530 0.1145000 1.106000 
1 1 1   27   12    3 o   22.140   0.7192 -1.917000 1.438000 
1 1 1   27   12    4 o   18.420   0.8351 3.593000 1.670000 
1 1 1   27   12    5 o   44.150   0.5162 0.8574000 1.032000 
1 1 1   27   12    6 o   42.800   0.5154 3.225000 1.031000 
1 1 1   27   12    7 o   12.140   1.3320 -3.307000 2.663000 
1 1 1   27   12    8 o   33.970   0.5498 1.798000 1.100000 
1 1 1   27   12    9 o   27.820   0.6937 2.020000 1.387000 
1 1 1   27   12   10 o   10.460   1.5050 -0.2201000 3.010000 
1 1 1   27   12   11 o   15.200   1.0500 1.871000 2.099000 
1 1 1   27   12   12 o   24.660   0.8244 -2.117000 1.649000 
1 1 1   27   12   13 o   19.050   0.8761 4.903000 1.752000 
1 1 1   27   12   14 o   25.880   0.6859 2.634000 1.372000 
1 1 1   27   12   15 o   19.150   0.9198 0.3535000E-01 1.840000 
1 1 1   27   12   16 o   41.430   0.5598 -1.079000 1.120000 
1 1 1   27   12   17 o   27.630   0.7086 -2.498000 1.417000 
1 1 1   27   12   18 o   9.5250   1.8330 -0.6906000 3.665000 
1 1 1   27   12   19 o   30.550   0.6769 -0.1290000 1.354000 
1 1 1   27   12   20 o   31.130   0.6820 1.387000 1.364000 
1 1 1   27   12   21 o   20.570   0.9801 1.565000 1.960000 
1 1 1   27   12   22 o   14.820   1.5540 -7.441000 3.107000 
1 1 1   27   12   23 o   19.030   1.1030 -0.5492000 2.206000 
1 1 1   27   12   24 o   27.850   0.7836 -2.304000 1.567000 
1 1 1   27   12   25 o   8.1300   2.0250 0.6842000 4.050000 
1 1 1   27   12   26 o   12.160   1.7190 1.025000 3.437000 
1 1 1   27   12   27 o   18.660   1.1090 -2.048000 2.217000 
1 1 1   27   12   28 o   7.9570   1.9040 3.550000 3.809000 
1 1 1   27   12   29 o   9.1760   1.8540 3.662000 3.708000 
1 1 1   27   12   30 o   10.600   1.7520 -0.6657000 3.503000 
1 1 1   27   13    0 o   19.000   1.1450 -0.000000 0.000000 
1 1 1   27   13    1 o   30.960   0.5427 -1.641000 1.085000 
1 1 1   27   13    2 o   5.9580   1.5220 -3.994000 3.044000 
1 1 1   27   13    3 o   28.680   0.5734 2.950000 1.147000 
1 1 1   27   13    4 o   26.290   0.6827 4.102000 1.365000 
1 1 1   27   13    5 o   19.450   0.8526 2.787000 1.705000 
1 1 1   27   13    6 o   29.140   0.6274 -0.5413000 1.255000 
1 1 1   27   13    7 o   36.370   0.5638 -0.4094000 1.128000 
1 1 1   27   13    8 o   26.380   0.6871 -0.7224000 1.374000 
1 1 1   27   13    9 o   5.6990   1.7010 1.165000 3.402000 
1 1 1   27   13   10 o   33.830   0.5798 0.4810000 1.160000 
1 1 1   27   13   11 o   44.430   0.5495 -4.412000 1.099000 
1 1 1   27   13   12 o   19.980   0.9135 2.671000 1.827000 
1 1 1   27   13   13 o   16.890   1.0680 1.129000 2.136000 
1 1 1   27   13   14 o   22.210   0.8440 2.330000 1.688000 
1 1 1   27   13   15 o   41.590   0.6809 4.181000 1.362000 
1 1 1   27   13   16 o   37.030   0.6103 0.9555000E-01 1.221000 
1 1 1   27   13   17 o   25.070   0.8087 0.4291000 1.617000 
1 1 1   27   13   18 o   30.420   0.7063 0.9575000E-01 1.413000 
1 1 1   27   13   19 o   25.040   0.8573 -2.019000 1.715000 
1 1 1   27   13   20 o   19.580   1.1090 -3.334000 2.218000 
1 1 1   27   13   21 o   16.920   1.2980 1.640000 2.596000 
1 1 1   27   13   22 o   20.210   1.0990 -2.185000 2.198000 
1 1 1   27   13   23 o   41.740   0.6318 0.5505000E-01 1.264000 
1 1 1   27   13   24 o   15.250   1.4580 4.323000 2.917000 
1 1 1   27   13   25 o   9.6330   1.9720 3.981000 3.945000 
1 1 1   27   13   26 o   15.060   1.4850 -3.940000 2.970000 
1 1 1   27   13   27 o   6.7450   1.9260 -0.6779000 3.852000 
1 1 1   27   13   28 o   13.780   1.5160 0.8452000 3.033000 
1 1 1   27   13   29 o   9.0470   1.9160 -2.147000 3.832000 
1 1 1   27   14    0 o   15.560   1.4590 -0.000000 0.000000 
1 1 1   27   14    1 o   21.460   0.7811 4.119000 1.562000 
1 1 1   27   14    2 o   25.310   0.6884 0.9667000 1.377000 
1 1 1   27   14    3 o   7.6700   1.8040 0.2036000 3.607000 
1 1 1   27   14    4 o   18.730   0.8788 -1.178000 1.758000 
1 1 1   27   14    5 o   53.930   0.5215 0.4515000 1.043000 
1 1 1   27   14    6 o   25.960   0.7367 3.380000 1.473000 
1 1 1   27   14    7 o   38.440   0.5814 0.9900000 1.163000 
1 1 1   27   14    8 o   36.420   0.5962 -2.494000 1.192000 
1 1 1   27   14    9 o   21.800   0.8550 0.9448000 1.710000 
1 1 1   27   14   10 o   10.260   1.6220 -7.890000 3.244000 
1 1 1   27   14   11 o   18.740   1.0060 0.6693000 2.013000 
1 1 1   27   14   12 o   9.4770   1.8860 2.335000 3.772000 
1 1 1   27   14   13 o   14.600   1.4090 -3.151000 2.818000 
1 1 1   27   14   14 o   18.420   1.1150 -2.207000 2.231000 
1 1 1   27   14   15 o   23.170   0.8852 2.387000 1.770000 
1 1 1   27   14   16 o   34.720   0.6616 -3.158000 1.323000 
1 1 1   27   14   17 o   11.870   1.7770 -2.990000 3.553000 
1 1 1   27   14   18 o   22.510   1.0210 -4.381000 2.042000 
1 1 1   27   14   19 o   9.0440   2.0630 -0.9266000 4.126000 
1 1 1   27   14   20 o   15.810   1.4620 -1.344000 2.923000 
1 1 1   27   14   21 o   17.330   1.3850 -5.521000 2.770000 
1 1 1   27   14   22 o   26.450   0.8802 -0.6726000 1.760000 
1 1 1   27   14   23 o   12.140   1.8680 1.970000 3.737000 
1 1 1   27   14   24 o   9.0970   1.8950 6.120000 3.789000 
1 1 1   27   14   25 o   11.610   1.8750 2.986000 3.749000 
1 1 1   27   14   26 f   6.2110   1.8710 0.8685000 3.742000 
1 1 1   27   14   27 o   11.690   1.7830 2.173000 3.566000 
1 1 1   27   14   28 f   8.4360   2.0020 0.1862000 4.005000 
1 1 1   27   15    0 o   9.4110   2.4880 -0.000000 0.000000 
1 1 1   27   15    1 o   19.200   0.9138 -2.868000 1.828000 
1 1 1   27   15    2 o   20.360   0.8774 -2.258000 1.755000 
1 1 1   27   15    3 o   51.070   0.5347 1.966000 1.069000 
1 1 1   27   15    4 o   31.200   0.6305 4.225000 1.261000 
1 1 1   27   15    5 o   45.330   0.5401 1.229000 1.080000 
1 1 1   27   15    6 o   36.630   0.5784 -0.4505000 1.157000 
1 1 1   27   15    7 o   14.870   1.2620 -4.174000 2.524000 
1 1 1   27   15    8 o   64.560   0.6242 -0.2805000E-01 1.248000 
1 1 1   27   15    9 o   14.880   1.3880 -1.366000 2.777000 
1 1 1   27   15   10 o   24.560   0.8503 0.7663000 1.701000 
1 1 1   27   15   11 o   12.340   1.9160 6.320000 3.832000 
1 1 1   27   15   12 o   11.560   1.7700 6.093000 3.540000 
1 1 1   27   15   13 o   10.310   1.8330 6.224000 3.665000 
1 1 1   27   15   14 o   8.0280   2.0150 -1.025000 4.031000 
1 1 1   27   15   15 o   13.140   1.7180 -1.882000 3.436000 
1 1 1   27   15   16 o   21.550   1.0300 2.682000 2.061000 
1 1 1   27   15   17 o   15.240   1.5340 3.391000 3.067000 
1 1 1   27   15   18 o   13.140   1.8080 -0.4172000 3.616000 
1 1 1   27   15   19 o   15.240   1.5680 4.892000 3.136000 
1 1 1   27   15   20 o   6.7940   2.0000 -0.4634000 4.001000 
1 1 1   27   15   21 o   17.020   1.4480 -4.594000 2.896000 
1 1 1   27   15   22 o   4.3480   1.5090 0.1515000 3.018000 
1 1 1   27   15   23 o   14.430   1.6010 0.6146000 3.203000 
1 1 1   27   15   24 o   12.610   1.7850 -0.4977000 3.570000 
1 1 1   27   15   25 o   12.170   1.8030 6.236000 3.607000 
1 1 1   27   15   26 o   12.640   1.7630 5.878000 3.526000 
1 1 1   27   15   27 o   5.2870   1.7070 1.936000 3.413000 
1 1 1   27   16    0 o   8.1050   2.7310 -0.000000 0.000000 
1 1 1   27   16    1 o   15.050   1.2700 2.753000 2.540000 
1 1 1   27   16    2 o   6.8020   1.7140 4.518000 3.429000 
1 1 1   27   16    3 o   46.220   0.5514 -0.1298000 1.103000 
1 1 1   27   16    4 o   45.880   0.5541 -3.194000 1.108000 
1 1 1   27   16    5 o   20.200   0.9540 -0.3803000 1.908000 
1 1 1   27   16    6 f   29.340   0.6982 0.7941000E-01 1.396000 
1 1 1   27   16    7 o   42.070   0.5835 0.3773000 1.167000 
1 1 1   27   16    8 o   10.040   1.8960 -1.225000 3.792000 
1 1 1   27   16    9 f   13.130   1.7180 -1.131000 3.435000 
1 1 1   27   16   10 o   24.450   1.0470 3.181000 2.093000 
1 1 1   27   16   11 o   15.720   1.4100 1.250000 2.820000 
1 1 1   27   16   12 o   7.8670   1.9580 -3.269000 3.916000 
1 1 1   27   16   13 o   7.9240   2.0780 0.2019000 4.156000 
1 1 1   27   16   14 o   19.890   1.1620 -0.9492000 2.324000 
1 1 1   27   16   15 o   17.970   1.3020 2.585000 2.605000 
1 1 1   27   16   16 o   5.8660   1.8770 1.049000 3.754000 
1 1 1   27   16   17 o   16.790   1.4450 0.3283000 2.891000 
1 1 1   27   16   18 o   19.530   1.2310 -0.8988000 2.462000 
1 1 1   27   16   19 o   17.750   1.4000 -2.816000 2.800000 
1 1 1   27   16   20 o   9.3580   2.1090 3.829000 4.219000 
1 1 1   27   16   21 o   11.540   2.0130 0.3785000 4.026000 
1 1 1   27   16   22 o   21.000   1.1440 6.035000 2.288000 
1 1 1   27   16   23 o   19.630   1.1820 2.654000 2.364000 
1 1 1   27   16   24 o   13.280   1.7810 -2.255000 3.561000 
1 1 1   27   16   25 o   6.0230   1.8350 2.942000 3.670000 
1 1 1   27   16   26 o   6.5170   1.9400 0.9205000 3.880000 
1 1 1   27   17    0 o   7.3270   2.7990 -0.000000 0.000000 
1 1 1   27   17    1 o   16.980   1.2100 -1.869000 2.420000 
1 1 1   27   17    2 o   21.920   0.9395 -3.299000 1.879000 
1 1 1   27   17    3 o   30.700   0.7153 -0.4112000 1.431000 
1 1 1   27   17    4 o   15.130   1.3790 -0.9673000 2.758000 
1 1 1   27   17    5 o   24.140   0.8750 -1.147000 1.750000 
1 1 1   27   17    6 o   20.800   0.9976 1.702000 1.995000 
1 1 1   27   17    7 f   13.360   1.6530 3.170000 3.306000 
1 1 1   27   17    8 o   14.190   1.6130 -5.670000 3.225000 
1 1 1   27   17    9 o   18.450   1.1670 -1.828000 2.335000 
1 1 1   27   17   10 o   13.050   1.6750 -4.005000 3.349000 
1 1 1   27   17   11 o   23.980   1.0050 0.7780000 2.010000 
1 1 1   27   17   12 o   22.380   1.0970 -1.540000 2.194000 
1 1 1   27   17   13 o   19.660   1.2720 -1.119000 2.545000 
1 1 1   27   17   14 o   11.390   2.0960 0.6795000 4.192000 
1 1 1   27   17   15 o   13.760   1.8730 -4.301000 3.745000 
1 1 1   27   17   16 f   16.390   1.5650 -1.946000 3.129000 
1 1 1   27   17   17 o   5.5870   1.8240 0.7010000 3.649000 
1 1 1   27   17   18 o   15.400   1.5750 2.535000 3.149000 
1 1 1   27   17   19 o   13.640   1.7780 0.6143000 3.556000 
1 1 1   27   17   20 o   7.3440   1.9920 -3.239000 3.983000 
1 1 1   27   17   21 o   13.880   1.7750 1.876000 3.550000 
1 1 1   27   17   22 o   7.7040   1.9850 -3.536000 3.970000 
1 1 1   27   17   23 o   14.530   1.6810 -3.053000 3.362000 
1 1 1   27   17   24 f   8.5220   2.0200 -3.205000 4.040000 
1 1 1   27   18    0 o   7.5830   2.8800 -0.000000 0.000000 
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1 1 1   27   18    2 o   24.650   0.9140 2.540000 1.828000 
1 1 1   27   18    3 o   14.390   1.5700 2.588000 3.140000 
1 1 1   27   18    4 o   11.950   1.8440 -4.792000 3.689000 
1 1 1   27   18    5 o   9.8310   1.8650 6.498000 3.730000 
1 1 1   27   18    6 o   20.180   1.1290 2.565000 2.257000 
1 1 1   27   18    7 o   21.800   1.0470 0.7338000 2.093000 
1 1 1   27   18    8 o   5.8970   1.8410 -1.531000 3.681000 
1 1 1   27   18    9 o   19.600   1.1950 3.785000 2.390000 
1 1 1   27   18   10 o   25.090   0.9370 -2.133000 1.874000 
1 1 1   27   18   11 o   19.680   1.1940 0.6841000 2.388000 
1 1 1   27   18   12 o   10.660   2.1870 -1.255000 4.375000 
1 1 1   27   18   13 o   15.760   1.6810 -3.755000 3.362000 
1 1 1   27   18   14 o   9.9560   2.1530 -2.584000 4.306000 
1 1 1   27   18   15 o   7.8900   2.1510 -0.6395000 4.302000 
1 1 1   27   18   16 o   10.340   2.0920 4.960000 4.184000 
1 1 1   27   18   17 o   7.2810   1.9810 -3.006000 3.962000 
1 1 1   27   18   18 o   11.170   2.0630 -1.865000 4.126000 
1 1 1   27   18   19 o   7.6340   2.0070 4.709000 4.014000 
1 1 1   27   18   20 o   6.1430   1.9030 2.712000 3.806000 
1 1 1   27   18   21 o   8.0210   2.0130 -3.505000 4.026000 
1 1 1   27   18   22 o   9.0890   2.1420 0.5072000 4.285000 
1 1 1   27   18   23 o   7.3740   1.9860 -2.437000 3.973000 
1 1 1   27   19    0 o   7.7940   2.9920 -0.000000 0.000000 
1 1 1   27   19    1 o   18.300   1.3030 -0.8336000 2.605000 
1 1 1   27   19    2 o   26.880   0.9017 0.1734000 1.803000 
1 1 1   27   19    3 o   30.350   0.8040 0.5507000 1.608000 
1 1 1   27   19    4 o   21.270   1.1150 -0.8143000 2.229000 
1 1 1   27   19    5 o   9.4330   2.1520 -1.671000 4.304000 
1 1 1   27   19    6 o   13.050   1.8860 -0.9298000E-01 3.773000 
1 1 1   27   19    7 o   13.930   1.7810 -0.9815000 3.561000 
1 1 1   27   19    8 o   12.480   1.9330 -2.018000 3.867000 
1 1 1   27   19    9 o   10.290   1.8310 8.014000 3.662000 
1 1 1   27   19   10 o   17.440   1.4240 -5.420000 2.847000 
1 1 1   27   19   11 o   16.080   1.4740 1.317000 2.948000 
1 1 1   27   19   12 o   6.8480   2.0210 0.1159000 4.041000 
1 1 1   27   19   13 o   17.410   1.3590 3.839000 2.719000 
1 1 1   27   19   14 o   17.100   1.5810 -3.764000 3.163000 
1 1 1   27   19   15 o   12.620   1.9450 -5.763000 3.890000 
1 1 1   27   19   16 o   9.3120   2.0650 -3.874000 4.131000 
1 1 1   27   19   17 o   8.5790   2.0570 5.571000 4.114000 
1 1 1   27   19   18 o   7.7700   2.1160 -1.232000 4.233000 
1 1 1   27   19   19 o   9.6050   1.8560 -6.780000 3.711000 
1 1 1   27   19   20 o   9.8160   2.2070 6.443000 4.415000 
1 1 1   27   19   21 o   6.9550   2.0160 1.821000 4.031000 
1 1 1   27   20    0 o   8.2130   3.2360 -0.000000 0.000000 
1 1 1   27   20    1 o   8.9420   2.0540 4.910000 4.109000 
1 1 1   27   20    2 f   7.0540   2.0150 -2.519000 4.030000 
1 1 1   27   20    3 o   16.840   1.4830 -1.837000 2.967000 
1 1 1   27   20    4 o   12.200   1.9700 3.233000 3.941000 
1 1 1   27   20    5 o   8.6420   2.1200 -2.553000 4.241000 
1 1 1   27   20    6 o   8.0550   2.1470 -0.5693000 4.295000 
1 1 1   27   20    7 o   15.530   1.6710 -4.711000 3.343000 
1 1 1   27   20    8 o   7.3890   2.1050 0.7616000 4.211000 
1 1 1   27   20    9 f   8.0190   2.1590 0.6472000 4.318000 
1 1 1   27   20   10 o   9.2910   2.1530 -2.387000 4.306000 
1 1 1   27   20   11 o   11.910   1.9620 4.446000 3.924000 
1 1 1   27   20   12 o   10.090   2.0170 -4.189000 4.033000 
1 1 1   27   20   13 o   12.780   1.8210 -1.556000 3.642000 
1 1 1   27   20   14 o   6.1790   1.8700 -2.187000 3.740000 
1 1 1   27   20   15 o   6.3990   1.9760 -0.9597000 3.952000 
1 1 1   27   20   16 o   10.640   2.0310 6.203000 4.062000 
1 1 1   27   20   17 o   7.2530   2.0730 2.349000 4.145000 
1 1 1   27   20   18 o   6.3950   1.9590 -0.1880000 3.918000 
1 1 1   27   20   19 o   10.400   2.1140 2.060000 4.228000 
1 1 1   27   21    0 o   11.170   3.0520 -0.000000 0.000000 
1 1 1   27   21    1 o   8.8580   2.0670 -5.098000 4.135000 
1 1 1   27   21    2 o   7.7570   2.1710 -0.7205000 4.342000 
1 1 1   27   21    3 o   7.0040   2.0320 -2.441000 4.064000 
1 1 1   27   21    4 o   15.240   1.6600 1.835000 3.319000 
1 1 1   27   21    5 f   6.3750   1.9840 0.1375000 3.969000 
1 1 1   27   21    6 o   13.420   1.9130 -4.068000 3.826000 
1 1 1   27   21    7 o   8.4590   2.1120 3.517000 4.223000 
1 1 1   27   21    8 o   7.4960   2.1160 0.2334000 4.233000 
1 1 1   27   21    9 o   6.3010   1.9150 2.708000 3.830000 
1 1 1   27   21   10 o   7.7360   2.1170 -0.9387000E-01 4.234000 
1 1 1   27   21   11 o   6.0630   1.9060 -0.2636000 3.812000 
1 1 1   27   21   12 o   7.7240   2.1070 -0.3206000 4.213000 
1 1 1   27   21   13 o   7.1840   1.8820 5.040000 3.763000 
1 1 1   27   21   14 o   7.8870   2.0450 -2.242000 4.090000 
1 1 1   27   21   15 o   10.380   1.9980 -1.601000 3.997000 
1 1 1   27   21   16 o   7.2610   2.0460 -0.8377000 4.091000 
1 1 1   27   21   17 o   5.5630   1.8130 2.339000 3.627000 
1 1 1   27   22    0 o   8.2060   3.0920 -0.000000 0.000000 
1 1 1   27   22    1 o   7.8840   2.0870 -3.488000 4.173000 
1 1 1   27   22    2 o   7.2790   2.0720 2.681000 4.144000 
1 1 1   27   22    3 o   9.1330   2.1880 2.641000 4.376000 
1 1 1   27   22    4 o   7.5940   2.1420 -0.2198000 4.284000 
1 1 1   27   22    5 o   19.520   1.2920 2.997000 2.583000 
1 1 1   27   22    6 o   10.780   2.1180 -2.379000 4.235000 
1 1 1   27   22    7 o   10.170   2.1420 1.907000 4.283000 
1 1 1   27   22    8 f   10.210   2.1270 0.2617000 4.255000 
1 1 1   27   22    9 o   10.730   1.9160 6.596000 3.833000 
1 1 1   27   22   10 o   8.8030   2.1320 0.8300000 4.264000 
1 1 1   27   22   11 o   7.9970   2.0480 2.875000 4.096000 
1 1 1   27   22   12 o   7.3100   2.0270 0.5421000 4.054000 
1 1 1   27   22   13 o   7.6760   2.0000 -1.479000 4.001000 
1 1 1   27   22   14 o   7.5920   2.0140 -0.3744000 4.029000 
1 1 1   27   23    0 o   10.460   3.1000 -0.000000 0.000000 
1 1 1   27   23    1 o   7.5880   2.0570 -3.644000 4.113000 
1 1 1   27   23    2 o   9.2450   2.1860 1.721000 4.373000 
1 1 1   27   23    3 o   9.6550   2.2020 -0.6025000 4.405000 
1 1 1   27   23    4 o   11.760   1.9930 4.986000 3.985000 
1 1 1   27   23    5 o   7.9810   2.1360 -1.545000 4.272000 
1 1 1   27   23    6 o   7.9720   2.1310 -1.454000 4.261000 
1 1 1   27   23    7 o   6.8840   1.9790 3.024000 3.958000 
1 1 1   27   23    8 o   8.7780   2.0070 4.192000 4.015000 
1 1 1   27   23    9 o   6.0410   1.8470 2.117000 3.694000 
1 1 1   27   23   10 o   5.6090   1.7910 0.2598000 3.582000 
1 1 1   27   24    0 o   5.0890   2.4060 -0.000000 0.000000 
1 1 1   27   24    1 f   6.3420   1.9480 -0.2146000 3.897000 
1 1 1   27   24    2 o   7.0460   2.0090 2.365000 4.017000 
1 1 1   27   24    3 o   5.8960   1.8670 0.6584000 3.735000 
1 1 1   27   24    4 o   9.6850   2.2440 2.510000 4.487000 
1 1 1   28    0    0 o   7.9230   1.3690 -0.000000 0.000000 
1 1 1   28    0    1 o   22.410   0.4228 -0.000000 0.000000 
1 1 1   28    0    2 o   24.010   0.4102 -0.000000 0.000000 
1 1 1   28    0    3 o   69.600   0.8557 -0.000000 0.000000 
1 1 1   28    0    4 o   65.620   0.8093 -0.000000 0.000000 
1 1 1   28    0    5 o   10.610   0.8121 -0.000000 0.000000 
1 1 1   28    0    6 o   13.230   0.6711 -0.000000 0.000000 
1 1 1   28    0    7 o   60.950   0.7578 -0.000000 0.000000 
1 1 1   28    0    8 o   50.100   0.6386 -0.000000 0.000000 
1 1 1   28    0    9 o   20.180   0.4936 -0.000000 0.000000 
1 1 1   28    0   10 o   5.7300   1.7600 -0.000000 0.000000 
1 1 1   28    0   11 o   3.4940   1.5420 -0.000000 0.000000 
1 1 1   28    0   12 o   16.710   0.7007 -0.000000 0.000000 
1 1 1   28    0   13 o   43.390   0.7062 -0.000000 0.000000 
1 1 1   28    0   14 o   40.700   0.6952 -0.000000 0.000000 
1 1 1   28    0   15 f   40.580   0.6926 -0.000000 0.000000 
1 1 1   28    0   16 o   5.8990   1.7280 -0.000000 0.000000 
1 1 1   28    0   17 o   9.2780   1.2380 -0.000000 0.000000 
1 1 1   28    0   18 f   44.630   0.7423 -0.000000 0.000000 
1 1 1   28    0   19 o   3.5900   1.5780 -0.000000 0.000000 
1 1 1   28    0   20 o   74.190   1.1340 -0.000000 0.000000 
1 1 1   28    0   21 o   73.010   1.1270 -0.000000 0.000000 
1 1 1   28    0   22 o   9.4030   1.1230 -0.000000 0.000000 
1 1 1   28    0   23 f   27.520   1.4130 -0.000000 0.000000 
1 1 1   28    0   24 o   33.400   1.2970 -0.000000 0.000000 
1 1 1   28    0   25 o   22.630   1.7860 -0.000000 0.000000 
1 1 1   28    0   26 o   9.0160   3.4230 -0.000000 0.000000 
1 1 1   28    0   27 o   32.200   1.4990 -0.000000 0.000000 
1 1 1   28    0   28 o   6.6510   3.0160 -0.000000 0.000000 
1 1 1   28    0   29 o   7.7000   3.3040 -0.000000 0.000000 
1 1 1   28    0   30 o   8.5830   3.4810 -0.000000 0.000000 
1 1 1   28    0   31 o   9.5110   3.6490 -0.000000 0.000000 
1 1 1   28    0   32 o   26.570   1.9710 -0.000000 0.000000 
1 1 1   28    0   33 o   7.5430   3.2840 -0.000000 0.000000 
1 1 1   28    0   34 o   12.030   3.5690 -0.000000 0.000000 
1 1 1   28    1    0 o   39.880   0.6677 -0.000000 0.000000 
1 1 1   28    1    1 o   96.810   1.0170 -4.595000 2.034000 
1 1 1   28    1    2 f  102.200   1.0720 1.367000 2.145000 
1 1 1   28    1    3 o   52.700   0.5792 -1.806000 1.158000 
1 1 1   28    1    4 o   82.080   0.8659 -1.075000 1.732000 
1 1 1   28    1    5 o   71.930   0.7638 2.670000 1.528000 
1 1 1   28    1    6 o   47.000   0.5285 -0.3136000E-01 1.057000 
1 1 1   28    1    7 o   99.650   1.0460 6.733000 2.092000 
1 1 1   28    1    8 o   42.350   0.4456 3.464000 0.8912000 
1 1 1   28    1    9 o   66.140   0.6429 1.994000 1.286000 
1 1 1   28    1   10 o  128.700   1.2270 1.393000 2.454000 
1 1 1   28    1   11 o   28.300   0.3767 -0.2517000E-01 0.7533000 
1 1 1   28    1   12 o   11.780   0.6000 -4.106000 1.200000 
1 1 1   28    1   13 o   18.980   0.4181 -1.613000 0.8362000 
1 1 1   28    1   14 o   12.450   0.5932 1.017000 1.186000 
1 1 1   28    1   15 o   23.630   0.4399 -0.6082000 0.8799000 
1 1 1   28    1   16 o   9.7260   0.8968 4.426000 1.794000 
1 1 1   28    1   17 o   23.100   0.4166 5.232000 0.8332000 
1 1 1   28    1   18 o   41.990   0.4624 -5.433000 0.9248000 
1 1 1   28    1   19 o   33.480   0.4125 -0.2336000 0.8250000 
1 1 1   28    1   20 o   30.320   0.4142 -2.606000 0.8283000 
1 1 1   28    1   21 o   38.600   0.4594 -2.812000 0.9188000 
1 1 1   28    1   22 o   24.950   0.4679 1.415000 0.9359000 
1 1 1   28    1   23 o   26.390   0.7956 1.253000 1.591000 
1 1 1   28    1   24 o   9.4540   1.7520 0.6036000E-01 3.504000 
1 1 1   28    1   25 o   25.570   1.1560 5.535000 2.313000 
1 1 1   28    1   26 o   34.890   1.0030 -5.006000 2.006000 
1 1 1   28    1   27 o   21.610   1.4140 1.360000 2.827000 
1 1 1   28    1   28 f   28.600   1.2540 2.160000 2.508000 
1 1 1   28    1   29 o   14.430   2.4140 -1.219000 4.828000 
1 1 1   28    1   30 o   38.620   1.9750 52.49000 3.950000 
1 1 1   28    1   31 o   25.830   1.4260 -0.7153000E-01 2.853000 
1 1 1   28    1   32 o   8.0260   2.4050 1.871000 4.810000 
1 1 1   28    1   33 o   7.0380   2.2320 0.3238000 4.464000 
1 1 1   28    1   34 o   13.410   2.4650 2.073000 4.929000 
1 1 1   28    2    0 o   69.680   1.0490 -0.000000 0.000000 
1 1 1   28    2    1 o  128.800   1.3460 -2.292000 2.693000 
1 1 1   28    2    2 o   81.020   0.8562 -3.650000 1.712000 
1 1 1   28    2    3 o  108.000   1.1320 2.049000 2.263000 
1 1 1   28    2    4 o  133.600   1.3960 5.043000 2.792000 
1 1 1   28    2    5 o   37.910   0.4604 2.268000 0.9209000 
1 1 1   28    2    6 o   23.100   0.4283 -2.446000 0.8566000 
1 1 1   28    2    7 o   22.500   0.4378 1.574000 0.8755000 
1 1 1   28    2    8 o   43.360   0.5035 -0.3026000 1.007000 
1 1 1   28    2    9 o   34.220   0.4483 8.064000 0.8967000 
1 1 1   28    2   10 o   74.180   0.7882 5.212000 1.576000 
1 1 1   28    2   11 o   9.5700   0.8900 2.189000 1.780000 
1 1 1   28    2   12 o   14.120   0.5823 0.7751000E-01 1.165000 
1 1 1   28    2   13 o   34.490   0.4522 1.402000 0.9043000 
1 1 1   28    2   14 o   20.000   0.4987 -5.037000 0.9973000 
1 1 1   28    2   15 o   26.510   0.4562 -2.453000 0.9124000 
1 1 1   28    2   16 o   21.930   0.5048 -7.270000 1.010000 
1 1 1   28    2   17 o   25.640   0.4727 0.8256000 0.9454000 
1 1 1   28    2   18 o   21.000   0.4696 0.2170000 0.9391000 
1 1 1   28    2   19 o   40.760   0.4475 -7.927000 0.8951000 
1 1 1   28    2   20 o   36.030   0.4255 0.2168000 0.8510000 
1 1 1   28    2   21 o   72.180   0.6803 -1.345000 1.361000 
1 1 1   28    2   22 f   39.580   0.4879      ?      ? 
1 1 1   28    2   23 o   36.450   0.5995 -2.356000 1.199000 
1 1 1   28    2   24 o   42.950   0.6521 -2.281000 1.304000 
1 1 1   28    2   25 f   31.450   0.5208 -3.273000 1.042000 
1 1 1   28    2   26 o   22.750   0.5682 0.6200000E-01 1.136000 
1 1 1   28    2   27 o   21.490   1.1400 3.177000 2.280000 
1 1 1   28    2   28 f   9.6980   1.6590 5.014000 3.318000 
1 1 1   28    2   29 o   11.120   2.4150 5.745000 4.830000 
1 1 1   28    2   30 o   6.8520   2.2020 -0.7206000 4.404000 
1 1 1   28    2   31 o   18.290   2.0330 -2.075000 4.066000 
1 1 1   28    2   32 o   15.040   2.2870 0.5417000 4.573000 
1 1 1   28    2   33 o   12.350   2.4180 -4.356000 4.835000 
1 1 1   28    2   34 o   10.950   2.4660 4.180000 4.932000 
1 1 1   28    3    0 o  146.800   2.1670 -0.000000 0.000000 
1 1 1   28    3    1 o   52.670   0.5894 11.60000 1.179000 
1 1 1   28    3    2 o   39.260   0.4783 -0.9775000 0.9566000 
1 1 1   28    3    3 o   83.850   0.8860 1.492000 1.772000 
1 1 1   28    3    4 o   13.970   0.7354 -8.721000 1.471000 
1 1 1   28    3    5 o   77.050   0.8178 2.697000 1.636000 
1 1 1   28    3    6 o   49.460   0.5565 6.799000 1.113000 
1 1 1   28    3    7 o   30.070   0.4445 2.637000 0.8890000 
1 1 1   28    3    8 o   77.290   0.8213 -2.680000 1.643000 
1 1 1   28    3    9 o   84.940   0.8977 -3.488000 1.795000 
1 1 1   28    3   10 f   72.720   0.7756 -5.949000 1.551000 
1 1 1   28    3   11 o   53.760   0.5944 -0.4816000E-01 1.189000 
1 1 1   28    3   12 f   8.7210   1.0610 2.346000 2.121000 
1 1 1   28    3   13 o   45.890   0.5331 0.6353000 1.066000 
1 1 1   28    3   14 o   62.980   0.6864 -1.060000 1.373000 
1 1 1   28    3   15 o   44.270   0.5304 1.805000 1.061000 
1 1 1   28    3   16 o   16.750   0.6457 -1.396000 1.291000 
1 1 1   28    3   17 o   31.680   0.4398 -5.136000 0.8796000 
1 1 1   28    3   18 o   19.630   0.5361 -0.1282000 1.072000 
1 1 1   28    3   19 o   24.160   0.4926 0.3101000E-01 0.9852000 
1 1 1   28    3   20 o   26.470   0.4853 -0.7864000 0.9705000 
1 1 1   28    3   21 o   38.720   0.4886 5.782000 0.9771000 
1 1 1   28    3   22 o   9.9630   1.2740 -5.761000 2.548000 
1 1 1   28    3   23 o   40.700   0.5046 0.5903000 1.009000 
1 1 1   28    3   24 o   27.910   0.5743 -0.2015000 1.149000 
1 1 1   28    3   25 o   18.560   0.6502 -0.3821000 1.300000 
1 1 1   28    3   26 o   21.230   0.7319 -2.589000 1.464000 
1 1 1   28    3   27 o   15.670   1.0890 7.043000 2.178000 
1 1 1   28    3   28 o   18.660   1.0910      ?      ? 
1 1 1   28    3   30 o   14.400   1.2910      ?      ? 
1 1 1   28    3   31 o   9.8400   3.5560      ?      ? 
1 1 1   28    3   32 o   18.690   1.4190 1.625000 2.838000 
1 1 1   28    3   33 o   22.000   1.1330 1.533000 2.266000 
1 1 1   28    3   34 o   8.6440   2.3900 -1.839000 4.779000 
1 1 1   28    4    0 o   74.500   1.1240 -0.000000 0.000000 
1 1 1   28    4    1 o   72.680   0.7783 1.654000 1.557000 
1 1 1   28    4    2 o   85.990   0.9093 0.8726000 1.819000 
1 1 1   28    4    3 o   97.940   1.0310 -2.283000 2.062000 
1 1 1   28    4    4 o   48.950   0.5601 -3.020000 1.120000 
1 1 1   28    4    5 o   62.590   0.6793 -0.9193000 1.359000 
1 1 1   28    4    6 o   37.380   0.4781 2.980000 0.9562000 
1 1 1   28    4    7 o   34.770   0.4662 -2.571000 0.9324000 
1 1 1   28    4    8 o   54.790   0.6097 0.1087000 1.219000 
1 1 1   28    4    9 o   40.380   0.5025 -2.611000 1.005000 
1 1 1   28    4   10 o   17.920   0.5812 -1.087000 1.162000 
1 1 1   28    4   11 o   13.780   0.7447 -3.662000 1.489000 
1 1 1   28    4   12 o   27.920   0.4835 3.540000 0.9670000 
1 1 1   28    4   13 f   30.550   0.4832 1.926000 0.9663000 
1 1 1   28    4   14 o   25.030   0.5243 -0.2540000 1.049000 
1 1 1   28    4   15 o   52.110   0.5453 -2.627000 1.091000 
1 1 1   28    4   16 o   33.770   0.4590 -5.051000 0.9181000 
1 1 1   28    4   17 o   16.030   0.6571 -1.121000 1.314000 
1 1 1   28    4   18 o   62.120   0.6275 0.5535000 1.255000 
1 1 1   28    4   19 o   47.080   0.5231 -0.7663000 1.046000 
1 1 1   28    4   20 o   27.190   0.5226 4.260000 1.045000 
1 1 1   28    4   21 o   53.220   0.5712 -0.8570000 1.142000 
1 1 1   28    4   22 o   44.110   0.5302 3.514000 1.060000 
1 1 1   28    4   23 o   11.980   1.2360 2.213000 2.471000 
1 1 1   28    4   24 o   30.370   0.6059 1.106000 1.212000 
1 1 1   28    4   25 o   32.660   0.5538 -0.5376000 1.108000 
1 1 1   28    4   26 o   31.240   0.5753 1.418000 1.151000 
1 1 1   28    4   27 o   12.950   1.2270 0.7571000 2.454000 
1 1 1   28    4   28 f   31.920   0.5932 -0.2050000 1.186000 
1 1 1   28    4   29 o   9.3060   1.7460 4.086000 3.491000 
1 1 1   28    4   30 o   6.7310   2.1020 -3.353000 4.203000 
1 1 1   28    4   31 o   22.310   1.3080 0.1704000 2.617000 
1 1 1   28    4   32 o   8.6940   1.9900 1.987000 3.981000 
1 1 1   28    4   33 o   19.960   1.1140      ?      ? 
1 1 1   28    5    0 o   79.730   1.2010 -0.000000 0.000000 
1 1 1   28    5    1 o   51.020   0.5836 4.326000 1.167000 
1 1 1   28    5    2 o   20.150   0.5471 1.074000 1.094000 
1 1 1   28    5    3 o   28.740   0.4759 -3.839000 0.9519000 
1 1 1   28    5    4 o   27.160   0.4862 -3.429000 0.9725000 
1 1 1   28    5    5 o   35.170   0.4884 1.364000 0.9768000 
1 1 1   28    5    6 o  132.500   1.3870 0.1186000 2.774000 
1 1 1   28    5    7 o   65.560   0.7126 -1.222000 1.425000 
1 1 1   28    5    8 o   14.990   0.7521 2.828000 1.504000 
1 1 1   28    5    9 o   39.770   0.5126 -3.516000 1.025000 
1 1 1   28    5   10 o   28.910   0.4948 -6.011000 0.9896000 
1 1 1   28    5   11 o   30.590   0.4998 2.313000 0.9996000 
1 1 1   28    5   12 o   35.850   0.4598 -0.5982000 0.9195000 
1 1 1   28    5   13 o   15.790   0.6796 0.7627000 1.359000 
1 1 1   28    5   14 o   34.560   0.4640 -3.092000 0.9279000 
1 1 1   28    5   15 o   48.370   0.5270 -0.5125000 1.054000 
1 1 1   28    5   16 o   16.320   0.7088 -0.8309000 1.418000 
1 1 1   28    5   17 o   29.470   0.4797 -3.731000 0.9594000 
1 1 1   28    5   18 o   17.140   0.7610 2.935000 1.522000 
1 1 1   28    5   19 o   10.270   1.3170 6.920000 2.634000 
1 1 1   28    5   20 o   23.460   0.6840 1.688000 1.368000 
1 1 1   28    5   21 o   9.0030   1.4490 -1.612000 2.899000 
1 1 1   28    5   22 o   56.930   0.6138 -1.814000 1.228000 
1 1 1   28    5   23 o   31.410   0.5688 1.618000 1.138000 
1 1 1   28    5   24 o   17.950   0.9393 6.274000 1.879000 
1 1 1   28    5   25 o   21.910   0.8283 1.588000 1.657000 
1 1 1   28    5   26 o   29.070   0.6295 -2.313000 1.259000 
1 1 1   28    5   27 o   23.770   0.7231 -2.793000 1.446000 
1 1 1   28    5   28 o   10.640   1.5990 4.195000 3.198000 
1 1 1   28    5   29 o   28.890   0.7304 1.281000 1.461000 
1 1 1   28    5   30 o   26.550   0.7300 0.5626000 1.460000 
1 1 1   28    5   31 o   21.070   1.2890 -1.141000 2.578000 
1 1 1   28    5   32 o   10.790   1.8670 1.316000 3.735000 
1 1 1   28    5   33 o   9.0640   2.0870 1.171000 4.174000 
1 1 1   28    5   34 o   11.930   1.9910      ?      ? 
1 1 1   28    6    0 o   62.180   0.9720 -0.000000 0.000000 
1 1 1   28    6    1 o   37.880   0.5105 1.604000 1.021000 
1 1 1   28    6    2 o   9.1630   1.2410 1.056000 2.482000 
1 1 1   28    6    3 o   61.400   0.6802 0.3404000 1.360000 
1 1 1   28    6    4 o   90.870   0.9637 -4.770000 1.927000 
1 1 1   28    6    5 o   14.110   0.8295 1.207000 1.659000 
1 1 1   28    6    6 o   25.110   0.5621 -2.186000 1.124000 
1 1 1   28    6    7 o   23.490   0.5934 7.921000 1.187000 
1 1 1   28    6    8 o   25.020   0.5590 -3.247000 1.118000 
1 1 1   28    6    9 o   72.360   0.7134 2.231000 1.427000 
1 1 1   28    6   10 o   40.020   0.4904 -0.7523000 0.9809000 
1 1 1   28    6   11 o   45.350   0.5154 1.594000 1.031000 
1 1 1   28    6   12 o   12.990   1.1020 7.668000 2.205000 
1 1 1   28    6   13 o   20.350   0.6599 3.913000 1.320000 
1 1 1   28    6   14 o   21.480   0.6108 1.595000 1.222000 
1 1 1   28    6   15 o   32.540   0.4950 -3.095000 0.9901000 
1 1 1   28    6   16 o   14.420   1.0460 7.598000 2.092000 
1 1 1   28    6   17 o   39.790   0.5042 0.2571000 1.008000 
1 1 1   28    6   18 o   6.7540   1.6960 1.067000 3.392000 
1 1 1   28    6   19 o   49.280   0.5611 -0.4273000 1.122000 
1 1 1   28    6   20 o   21.860   0.6640 0.6995000 1.328000 
1 1 1   28    6   21 o   23.450   0.6636 -0.7019000 1.327000 
1 1 1   28    6   22 o   30.980   0.5771 0.3057000 1.154000 
1 1 1   28    6   23 o   30.530   0.6850 -2.721000 1.370000 
1 1 1   28    6   24 o   8.4450   1.6600 2.709000 3.321000 
1 1 1   28    6   25 o   32.890   0.6193 -0.8893000E-01 1.239000 
1 1 1   28    6   26 f   17.680   1.0840 0.9305000 2.169000 
1 1 1   28    6   27 o   30.330   0.7268 -3.641000 1.454000 
1 1 1   28    6   28 o   43.780   0.6144 -2.063000 1.229000 
1 1 1   28    6   29 o   11.500   1.6190 0.4331000 3.238000 
1 1 1   28    6   30 o   9.0070   2.0800      ?      ? 
1 1 1   28    6   31 o   4.9830   1.5480 0.5542000 3.096000 
1 1 1   28    6   32 o   16.920   1.0690 -0.1427000 2.138000 
1 1 1   28    6   33 o   9.6440   1.8280 3.044000 3.656000 
1 1 1   28    7    0 o   63.650   1.0000 -0.000000 0.000000 
1 1 1   28    7    1 o   36.470   0.5335 -8.474000 1.067000 
1 1 1   28    7    2 o   22.330   0.6320 -3.186000 1.264000 
1 1 1   28    7    3 o   23.770   0.6110 8.924000 1.222000 
1 1 1   28    7    4 o   61.270   0.6849 1.840000 1.370000 
1 1 1   28    7    5 o   86.770   0.9268 -2.474000 1.854000 
1 1 1   28    7    6 o   35.360   0.4871 -3.037000 0.9742000 
1 1 1   28    7    7 o   14.640   0.8108 2.482000 1.622000 
1 1 1   28    7    8 o   37.770   0.4936 -0.4337000 0.9873000 
1 1 1   28    7    9 o   41.280   0.5083 -2.687000 1.017000 
1 1 1   28    7   10 o   23.770   0.5885 1.715000 1.177000 
1 1 1   28    7   11 o   34.850   0.6385      ?      ? 
1 1 1   28    7   12 o   48.450   0.5444 -0.4572000E-01 1.089000 
1 1 1   28    7   13 o   8.3110   1.3780 4.546000 2.755000 
1 1 1   28    7   14 o   46.900   0.5388 0.4370000 1.078000 
1 1 1   28    7   15 o   16.880   0.7743 1.600000 1.549000 
1 1 1   28    7   16 o   20.500   0.6710 -2.304000 1.342000 
1 1 1   28    7   17 o   61.700   0.6404 0.6419000 1.281000 
1 1 1   28    7   18 o   56.930   0.6139 -0.1150000 1.228000 
1 1 1   28    7   19 o   23.900   0.6546 -2.011000 1.309000 
1 1 1   28    7   20 o   26.450   0.6352 0.7695000 1.270000 
1 1 1   28    7   21 o   50.690   0.5942 -0.2852000 1.188000 
1 1 1   28    7   22 o   44.030   0.5778 -0.6294000 1.156000 
1 1 1   28    7   23 f   24.170   0.7429 2.238000 1.486000 
1 1 1   28    7   24 o   17.700   1.0580 3.193000 2.117000 
1 1 1   28    7   25 o   7.0670   1.8880 1.427000 3.776000 
1 1 1   28    7   26 o   38.620   0.6329 -3.383000 1.266000 
1 1 1   28    7   27 o   33.720   0.6825 0.6977000 1.365000 
1 1 1   28    7   28 o   37.220   0.6639 0.7453000 1.328000 
1 1 1   28    7   29 o   26.860   0.7848 -1.303000 1.570000 
1 1 1   28    7   30 o   7.4020   1.8250 2.087000 3.649000 
1 1 1   28    7   31 o   12.460   1.6180      ?      ? 
1 1 1   28    7   32 o   13.160   1.4720 2.720000 2.944000 
1 1 1   28    7   33 o   4.9770   1.5720 0.5280000E-01 3.145000 
1 1 1   28    8    0 o   33.120   0.7908 -0.000000 0.000000 
1 1 1   28    8    1 o   44.070   0.5756 -0.5480000 1.151000 
1 1 1   28    8    2 o   37.530   0.5065 1.580000 1.013000 
1 1 1   28    8    3 o   66.520   0.6787 -2.498000 1.357000 
1 1 1   28    8    4 o   48.510   0.5552 -4.184000 1.110000 
1 1 1   28    8    5 o   7.9230   1.4180 -4.575000 2.836000 
1 1 1   28    8    6 o   13.810   0.9206 -1.100000 1.841000 
1 1 1   28    8    7 o   55.930   0.5991 -3.792000 1.198000 
1 1 1   28    8    8 o   14.960   0.8962 3.482000 1.792000 
1 1 1   28    8    9 o   25.320   0.5804 3.733000 1.161000 
1 1 1   28    8   10 o   14.860   0.8877 -1.859000 1.775000 
1 1 1   28    8   11 o   21.920   0.6652 -3.089000 1.330000 
1 1 1   28    8   12 o   30.610   0.6927      ?      ? 
1 1 1   28    8   13 o   7.9860   1.6110 -1.389000 3.222000 
1 1 1   28    8   14 o   20.000   0.8080 0.9513000 1.616000 
1 1 1   28    8   15 o   14.380   1.1210 2.016000 2.243000 
1 1 1   28    8   16 o   26.520   0.5976 1.639000 1.195000 
1 1 1   28    8   17 o   19.950   0.8294 5.569000 1.659000 
1 1 1   28    8   18 o   19.970   0.8695 2.096000 1.739000 
1 1 1   28    8   19 o   40.710   0.5053 -0.6323000 1.011000 
1 1 1   28    8   20 o   35.090   0.5204 -0.3336000 1.041000 
1 1 1   28    8   21 o   32.960   0.5392 -1.028000 1.078000 
1 1 1   28    8   22 o   30.050   0.5755 -2.802000 1.151000 
1 1 1   28    8   23 o   39.600   0.5322 0.3898000 1.064000 
1 1 1   28    8   24 o   19.920   0.9232 -0.3898000E-01 1.846000 
1 1 1   28    8   25 o   29.880   0.6014 -2.897000 1.203000 
1 1 1   28    8   26 o   13.390   1.1940 1.739000 2.388000 
1 1 1   28    8   27 o   19.550   0.8438 -0.8592000 1.688000 
1 1 1   28    8   28 o   8.2120   1.6130 4.648000 3.226000 
1 1 1   28    8   29 o   13.210   1.2260 1.228000 2.453000 
1 1 1   28    8   30 o   9.6730   1.8070 3.191000 3.613000 
1 1 1   28    8   31 o   11.850   1.6620 2.426000 3.325000 
1 1 1   28    8   32 o   9.6810   1.7020 3.841000 3.404000 
1 1 1   28    9    0 o   18.550   0.9501 -0.000000 0.000000 
1 1 1   28    9    1 o   44.260   0.4877 0.9490000 0.9754000 
1 1 1   28    9    2 o   13.120   0.9699 -0.5290000 1.940000 
1 1 1   28    9    3 o   25.590   0.6110 -0.3781000 1.222000 
1 1 1   28    9    4 o   52.690   0.5853 -1.050000 1.171000 
1 1 1   28    9    5 o   34.040   0.5359 0.7467000 1.072000 
1 1 1   28    9    6 o   26.090   0.5947 -3.766000 1.189000 
1 1 1   28    9    7 o   26.450   0.5919 -2.135000 1.184000 
1 1 1   28    9    8 o   16.930   0.8711 -5.551000 1.742000 
1 1 1   28    9    9 o   26.850   0.5923 -0.6777000 1.185000 
1 1 1   28    9   10 o   38.700   0.5404 2.897000 1.081000 
1 1 1   28    9   11 o   30.670   0.5063 1.667000 1.013000 
1 1 1   28    9   12 o   20.660   0.6627 -2.293000 1.325000 
1 1 1   28    9   13 o   30.890   0.5159 4.170000 1.032000 
1 1 1   28    9   14 o   14.870   0.9136 1.933000 1.827000 
1 1 1   28    9   15 o   52.490   0.5334 -1.877000 1.067000 
1 1 1   28    9   16 o   19.130   0.7382 3.226000 1.476000 
1 1 1   28    9   17 o   9.8850   1.6450 3.507000 3.291000 
1 1 1   28    9   18 o   36.120   0.5240 2.087000 1.048000 
1 1 1   28    9   19 o   6.1540   1.6720 -0.8267000 3.344000 
1 1 1   28    9   20 o   39.620   0.5393 0.6208000 1.079000 
1 1 1   28    9   21 o   13.310   1.2640 -2.939000 2.527000 
1 1 1   28    9   22 o   31.710   0.5942 -1.088000 1.188000 
1 1 1   28    9   23 o   19.420   0.9016 -0.2717000 1.803000 
1 1 1   28    9   24 o   13.460   1.3440 1.465000 2.688000 
1 1 1   28    9   25 o   27.780   0.6892 -0.2773000 1.378000 
1 1 1   28    9   26 o   19.260   0.9310 -4.082000 1.862000 
1 1 1   28    9   27 o   9.9730   1.8710 -2.543000 3.743000 
1 1 1   28    9   28 o   5.8690   1.7270 -1.097000 3.453000 
1 1 1   28    9   29 o   7.0400   1.8090 0.8038000 3.618000 
1 1 1   28    9   30 o   22.130   0.7666 1.085000 1.533000 
1 1 1   28    9   31 f   8.7790   1.6900 -0.5313000 3.380000 
1 1 1   28    9   32 o   6.4840   1.6910 -1.023000 3.383000 
1 1 1   28   10    0 o   5.3180   2.1980 -0.000000 0.000000 
1 1 1   28   10    1 f   20.310   0.7141 0.8454000 1.428000 
1 1 1   28   10    2 o   24.990   0.5970 -0.4108000 1.194000 
1 1 1   28   10    3 o   30.900   0.5382 3.316000 1.076000 
1 1 1   28   10    4 o   18.750   0.7801 6.421000 1.560000 
1 1 1   28   10    5 o   26.460   0.5842 1.206000 1.168000 
1 1 1   28   10    6 o   28.310   0.5579 -0.8507000 1.116000 
1 1 1   28   10    7 o   9.8840   1.3370 -3.207000 2.674000 
1 1 1   28   10    8 o   45.550   0.4763 -3.439000 0.9527000 
1 1 1   28   10    9 o   18.160   0.7474 0.1610000 1.495000 
1 1 1   28   10   10 o   15.500   0.8964 0.3626000 1.793000 
1 1 1   28   10   11 o   22.850   0.6645 -4.585000 1.329000 
1 1 1   28   10   12 o   33.710   0.5165 -1.865000 1.033000 
1 1 1   28   10   13 o   33.250   0.5283 1.410000 1.057000 
1 1 1   28   10   14 o   59.960   0.5817 -1.264000 1.163000 
1 1 1   28   10   15 o   24.260   0.7703 -1.757000 1.541000 
1 1 1   28   10   16 o   13.830   1.1320 1.524000 2.263000 
1 1 1   28   10   17 o   26.360   0.7453 -2.096000 1.491000 
1 1 1   28   10   18 o   24.160   0.7720 2.347000 1.544000 
1 1 1   28   10   19 o   19.680   0.8717 2.641000 1.743000 
1 1 1   28   10   20 o   8.4170   1.8090 -1.562000 3.617000 
1 1 1   28   10   21 o   39.430   0.5808 -2.773000 1.162000 
1 1 1   28   10   22 o   27.400   0.7101 1.262000 1.420000 
1 1 1   28   10   23 o   8.3190   1.6290 6.879000 3.258000 
1 1 1   28   10   24 o   6.9970   1.8890 -0.2268000E-01 3.779000 
1 1 1   28   10   25 o   12.360   1.5980 -3.637000 3.195000 
1 1 1   28   10   26 o   14.640   1.3220 2.614000 2.644000 
1 1 1   28   10   27 o   26.340   0.7634 -1.189000 1.527000 
1 1 1   28   10   28 o   9.8270   1.7920 -0.6786000 3.585000 
1 1 1   28   10   29 o   12.930   1.4360 3.908000 2.872000 
1 1 1   28   10   30 f   7.4110   1.6640 4.427000 3.328000 
1 1 1   28   10   31 o   4.9950   1.5590 1.391000 3.119000 
1 1 1   28   11    0 o   31.210   0.8007 -0.000000 0.000000 
1 1 1   28   11    1 o   20.200   0.7716 -2.300000 1.543000 
1 1 1   28   11    2 o   14.260   1.0900 -3.388000 2.181000 
1 1 1   28   11    3 o   10.960   1.4390 4.076000 2.878000 
1 1 1   28   11    4 o   13.000   1.1120 1.865000 2.223000 
1 1 1   28   11    5 o   30.940   0.5256 3.375000 1.051000 
1 1 1   28   11    6 o   30.770   0.5277 1.986000 1.055000 
1 1 1   28   11    7 o   39.910   0.4885 3.441000 0.9770000 
1 1 1   28   11    8 o   16.430   0.8818 1.520000 1.764000 
1 1 1   28   11    9 o   11.110   1.3390 -1.204000 2.679000 
1 1 1   28   11   10 o   24.850   0.6210 2.146000 1.242000 
1 1 1   28   11   11 o   22.820   0.6824 -2.440000 1.365000 
1 1 1   28   11   12 o   25.630   0.7348 2.116000 1.470000 
1 1 1   28   11   13 o   34.120   0.6356 -1.673000 1.271000 
1 1 1   28   11   14 o   36.800   0.5302 2.483000 1.060000 
1 1 1   28   11   15 f   19.570   0.8341 2.159000 1.668000 
1 1 1   28   11   16 o   18.280   0.9549 -4.884000 1.910000 
1 1 1   28   11   17 o   12.860   1.2750 1.589000 2.551000 
1 1 1   28   11   18 f   40.980   0.6425 -1.719000 1.285000 
1 1 1   28   11   19 o   31.970   0.6526 -0.9200000 1.305000 
1 1 1   28   11   20 o   18.740   1.0310 -3.025000 2.061000 
1 1 1   28   11   21 o   12.420   1.6070 5.970000 3.215000 
1 1 1   28   11   22 o   24.070   0.8496 0.8025000E-01 1.699000 
1 1 1   28   11   23 o   23.440   0.9026 -0.7359000 1.805000 
1 1 1   28   11   24 o   33.290   0.6995 0.4921000 1.399000 
1 1 1   28   11   25 o   18.760   1.1130 4.037000 2.225000 
1 1 1   28   11   26 o   9.0720   1.9720 2.395000 3.944000 
1 1 1   28   11   27 o   8.3850   1.9790 1.643000 3.958000 
1 1 1   28   11   28 f   9.1180   1.8970 3.412000 3.794000 
1 1 1   28   11   29 o   7.0810   1.8080 -3.560000 3.616000 
1 1 1   28   11   30 o   10.760   1.7190 0.6896000 3.437000 
1 1 1   28   11   31 o   12.400   2.3510      ?      ? 
1 1 1   28   12    0 o   9.5160   2.3890 -0.000000 0.000000 
1 1 1   28   12    1 o   22.320   0.6994 1.677000 1.399000 
1 1 1   28   12    2 o   18.460   0.8499 -2.008000 1.700000 
1 1 1   28   12    3 o   13.140   1.2070 -2.477000 2.414000 
1 1 1   28   12    4 o   42.070   0.5136 3.512000 1.027000 
1 1 1   28   12    5 f   9.3510   1.5870 3.756000 3.173000 
1 1 1   28   12    6 o   25.900   0.6350 3.774000 1.270000 
1 1 1   28   12    7 f   13.400   1.1780 5.089000 2.356000 
1 1 1   28   12    8 o   39.770   0.5186 1.742000 1.037000 
1 1 1   28   12    9 o   58.210   0.5546 0.2721000 1.109000 
1 1 1   28   12   10 o   16.180   0.9891 -1.171000 1.978000 
1 1 1   28   12   11 o   18.170   1.0760 -1.708000 2.151000 
1 1 1   28   12   12 o   44.570   0.5303 -5.833000 1.061000 
1 1 1   28   12   13 f   28.130   0.7577 0.7532000 1.515000 
1 1 1   28   12   14 o   24.160   0.7339 0.5336000 1.468000 
1 1 1   28   12   15 o   13.260   1.6750 -5.274000 3.349000 
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1 1 1   28   12   20 o   19.830   1.0600 -5.169000 2.120000 
1 1 1   28   12   21 o   20.970   0.9718 3.792000 1.944000 
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1 1 1   28   12   24 o   17.610   1.3780 0.8563000 2.755000 
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1 1 1   28   12   28 o   14.030   1.4290 2.599000 2.858000 
1 1 1   28   12   29 o   7.4910   1.5860 7.345000 3.173000 
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1 1 1   28   13    1 o   17.380   0.8813 5.349000 1.763000 
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1 1 1   28   13    3 o   18.090   0.9191 -1.604000 1.838000 
1 1 1   28   13    4 o   19.950   0.8353 0.7015000E-01 1.671000 
1 1 1   28   13    5 o   30.080   0.6180 2.545000 1.236000 
1 1 1   28   13    6 o   39.170   0.5500 2.063000 1.100000 
1 1 1   28   13    7 o   30.990   0.6151 -1.140000 1.230000 
1 1 1   28   13    8 o   26.970   0.6832 1.366000 1.366000 
1 1 1   28   13    9 o   8.9620   1.7620 -0.8046000 3.523000 
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1 1 1   28   13   12 o   35.770   0.5850 2.404000 1.170000 
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1 1 1   28   13   15 o   10.760   1.7300 -1.969000 3.460000 
1 1 1   28   13   16 o   22.170   0.8862 3.218000 1.772000 
1 1 1   28   13   17 o   20.490   0.9681 3.334000 1.936000 
1 1 1   28   13   18 o   29.830   0.7215 1.486000 1.443000 
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1 1 1   28   13   20 o   14.090   1.5330 -0.2490000 3.065000 
1 1 1   28   13   21 o   22.310   0.9980 4.192000 1.996000 
1 1 1   28   13   22 o   7.7920   2.0090 2.722000 4.018000 
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1 1 1   28   13   24 o   22.380   0.9875 -1.747000 1.975000 
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1 1 1   28   13   26 o   9.5300   2.0080 1.786000 4.016000 
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1 1 1   28   14    0 o   5.8120   2.3990 -0.000000 0.000000 
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1 1 1   28   14    2 o   27.860   0.6398 0.3414000 1.280000 
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1 1 1   28   14    4 o   15.060   1.1310 4.212000 2.262000 
1 1 1   28   14    5 o   37.600   0.5892 0.6136000 1.178000 
1 1 1   28   14    6 o   15.870   1.1500 0.8145000 2.299000 
1 1 1   28   14    7 o   29.160   0.6969 -1.785000 1.394000 
1 1 1   28   14    8 o   31.200   0.6497 -1.717000 1.299000 
1 1 1   28   14    9 o   37.160   0.5958 -0.5444000 1.192000 
1 1 1   28   14   10 o   24.480   0.7839 1.171000 1.568000 
1 1 1   28   14   11 o   12.200   1.5880 3.481000 3.176000 
1 1 1   28   14   12 o   25.800   0.7840 -0.4492000 1.568000 
1 1 1   28   14   13 o   28.420   0.7339 0.9524000 1.468000 
1 1 1   28   14   14 o   10.890   1.8500 1.721000 3.699000 
1 1 1   28   14   15 o   36.510   0.6414 -0.6982000 1.283000 
1 1 1   28   14   16 o   20.470   1.0390 -3.540000 2.077000 
1 1 1   28   14   17 o   8.0370   2.0260 1.615000 4.053000 
1 1 1   28   14   18 o   22.300   1.0040 6.027000 2.008000 
1 1 1   28   14   19 o   21.300   1.0550 0.9902000 2.110000 
1 1 1   28   14   20 o   23.940   0.9696 4.327000 1.939000 
1 1 1   28   14   21 o   16.080   1.5200 -5.770000 3.041000 
1 1 1   28   14   22 o   25.810   0.8960 1.947000 1.792000 
1 1 1   28   14   23 o   9.1370   2.0630 -1.507000 4.126000 
1 1 1   28   14   24 o   8.8080   2.0790 1.619000 4.159000 
1 1 1   28   14   25 o   7.6950   1.9020 -4.165000 3.805000 
1 1 1   28   14   26 o   10.090   2.1630 3.822000 4.326000 
1 1 1   28   14   27 o   10.440   1.9230 0.3544000 3.846000 
1 1 1   28   14   28 o   10.350   1.9040 0.9691000 3.808000 
1 1 1   28   15    0 o   4.9070   2.2290 -0.000000 0.000000 
1 1 1   28   15    1 o   7.6780   1.8420 -1.320000 3.685000 
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1 1 1   28   15    4 o   23.490   0.7774 -1.784000 1.555000 
1 1 1   28   15    5 o   23.640   0.7944 0.8398000 1.589000 
1 1 1   28   15    6 o   27.650   0.6755 -0.3109000 1.351000 
1 1 1   28   15    7 o   14.740   1.5050 -5.693000 3.010000 
1 1 1   28   15    8 o   27.520   0.7666 -0.1217000 1.533000 
1 1 1   28   15    9 o   13.340   1.5650 5.240000 3.130000 
1 1 1   28   15   10 o   37.130   0.6405 0.5866000 1.281000 
1 1 1   28   15   11 o   46.390   0.6006 -0.4100000 1.201000 
1 1 1   28   15   12 o   36.240   0.6601 -1.304000 1.320000 
1 1 1   28   15   13 o   15.680   1.3860 0.4461000E-01 2.771000 
1 1 1   28   15   14 o   23.760   0.9389 -1.311000 1.878000 
1 1 1   28   15   15 o   21.320   1.2150 4.768000 2.430000 
1 1 1   28   15   16 o   10.370   2.0310 1.663000 4.063000 
1 1 1   28   15   17 o   32.420   0.7634 1.151000 1.527000 
1 1 1   28   15   18 o   11.240   2.0220 1.768000 4.044000 
1 1 1   28   15   19 o   15.670   1.5230 1.233000 3.046000 
1 1 1   28   15   20 o   12.650   1.8770 -5.219000 3.754000 
1 1 1   28   15   21 o   12.350   2.0030 1.791000 4.006000 
1 1 1   28   15   22 o   5.8800   1.8530 1.813000 3.706000 
1 1 1   28   15   23 f   10.370   2.0180 3.900000 4.035000 
1 1 1   28   15   24 o   14.130   1.6570 -3.767000 3.314000 
1 1 1   28   15   25 o   7.2980   2.0100 -1.046000 4.019000 
1 1 1   28   15   26 o   10.410   1.9900 1.715000 3.979000 
1 1 1   28   15   27 o   5.5360   1.7660 1.000000 3.533000 
1 1 1   28   16    0 o   14.100   1.8560 -0.000000 0.000000 
1 1 1   28   16    1 o   18.820   1.0000 0.3372000 2.000000 
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1 1 1   28   16    5 o   21.050   0.9208 0.7064000 1.842000 
1 1 1   28   16    6 o   11.610   1.7030 0.1360000 3.405000 
1 1 1   28   16    7 o   26.580   0.7843 0.5023000 1.569000 
1 1 1   28   16    8 o   17.310   1.3690 -5.129000 2.737000 
1 1 1   28   16    9 o   42.710   0.6361 0.3888000 1.272000 
1 1 1   28   16   10 o   39.280   0.6596 -1.562000 1.319000 
1 1 1   28   16   11 o   8.1460   2.0480 -0.9178000 4.097000 
1 1 1   28   16   12 o   7.8910   2.0030 3.829000 4.006000 
1 1 1   28   16   13 o   10.230   1.8350 -6.258000 3.671000 
1 1 1   28   16   14 o   16.210   1.4370 -0.1919000 2.875000 
1 1 1   28   16   15 o   28.250   0.8670 1.625000 1.734000 
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1 1 1   28   16   19 o   15.820   1.5640 6.145000 3.129000 
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1 1 1   28   16   23 o   13.550   1.7460 0.1217000 3.492000 
1 1 1   28   16   24 o   8.9030   2.1200 0.3025000 4.241000 
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1 1 1   28   17    4 o   20.490   1.0120 1.413000 2.025000 
1 1 1   28   17    5 o   21.350   0.9840 -1.141000 1.968000 
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1 1 1   28   17    7 o   17.020   1.2840 1.805000 2.567000 
1 1 1   28   17    8 o   44.230   0.6076 0.1996000 1.215000 
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1 1 1   28   17   13 f   7.4980   2.1080 1.486000 4.216000 
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1 1 1   28   17   19 o   11.450   2.0070 3.255000 4.015000 
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1 1 1   28   17   21 o   7.5320   2.0990 1.702000 4.198000 
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1 1 1   28   18    8 o   11.720   1.9370 2.482000 3.874000 
1 1 1   28   18    9 o   20.270   1.1500 2.518000 2.301000 
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1 1 1   28   24    0 o   7.2680   2.9240 -0.000000 0.000000 
1 1 1   28   24    1 o   9.9600   2.1230 -2.175000 4.245000 
1 1 1   28   24    2 o   6.2530   1.9290 -0.7600000 3.859000 
1 1 1   28   24    3 o   6.7610   2.0180 0.6848000 4.036000 
1 1 1   29    0    1 o  116.700   1.2210 -0.000000 0.000000 
1 1 1   29    0    2 o   47.340   0.5311 -0.000000 0.000000 
1 1 1   29    0    3 o  102.700   1.2430 -0.000000 0.000000 
1 1 1   29    0    4 o   17.760   0.5527 -0.000000 0.000000 
1 1 1   29    0    5 o   51.080   0.6527 -0.000000 0.000000 
1 1 1   29    0    6 o   20.760   0.6595 -0.000000 0.000000 
1 1 1   29    0    7 o  158.700   1.9110 -0.000000 0.000000 
1 1 1   29    0    8 o   48.640   0.6254 -0.000000 0.000000 
1 1 1   29    0    9 o   16.030   0.7648 -0.000000 0.000000 
1 1 1   29    0   10 o  103.800   1.5400 -0.000000 0.000000 
1 1 1   29    0   11 o   28.220   0.5936 -0.000000 0.000000 
1 1 1   29    0   12 o   5.5930   1.7440 -0.000000 0.000000 
1 1 1   29    0   13 o   10.590   1.1090 -0.000000 0.000000 
1 1 1   29    0   14 o   7.7570   1.5380 -0.000000 0.000000 
1 1 1   29    0   15 o   57.800   0.8962 -0.000000 0.000000 
1 1 1   29    0   16 o   28.490   0.6278 -0.000000 0.000000 
1 1 1   29    0   17 o   32.130   0.6441 -0.000000 0.000000 
1 1 1   29    0   18 o   53.120   0.8455 -0.000000 0.000000 
1 1 1   29    0   19 o   9.7870   1.2330 -0.000000 0.000000 
1 1 1   29    0   20 o   11.850   1.0380 -0.000000 0.000000 
1 1 1   29    0   21 o   55.210   0.8899 -0.000000 0.000000 
1 1 1   29    0   22 f   33.470   0.7001 -0.000000 0.000000 
1 1 1   29    0   23 f   42.670   1.2480 -0.000000 0.000000 
1 1 1   29    0   24 o   10.940   3.1260 -0.000000 0.000000 
1 1 1   29    0   25 o   33.140   1.4260 -0.000000 0.000000 
1 1 1   29    0   26 o   19.750   2.1710 -0.000000 0.000000 
1 1 1   29    0   27 o   18.930   2.3800 -0.000000 0.000000 
1 1 1   29    0   28 o   9.9930   3.6110 -0.000000 0.000000 
1 1 1   29    0   29 o   8.8160   3.5570 -0.000000 0.000000 
1 1 1   29    0   30 o   20.850   2.2690 -0.000000 0.000000 
1 1 1   29    0   31 o   5.9540   2.8440 -0.000000 0.000000 
1 1 1   29    0   32 o   10.640   3.6860 -0.000000 0.000000 
1 1 1   29    0   33 o   6.8510   3.1270 -0.000000 0.000000 
1 1 1   29    0   34 o   7.6170   3.3320 -0.000000 0.000000 
1 1 1   29    1    0 o  116.700   1.7260 -0.000000 0.000000 
1 1 1   29    1    1 o  117.600   1.2300 -3.085000 2.461000 
1 1 1   29    1    2 o   43.910   0.5067 -3.669000 1.013000 
1 1 1   29    1    3 o   32.830   0.4358 -2.454000 0.8715000 
1 1 1   29    1    4 o  105.800   1.1100 2.805000 2.219000 
1 1 1   29    1    5 o   76.080   0.8064 -0.3468000 1.613000 
1 1 1   29    1    6 o   15.590   0.5314 2.251000 1.063000 
1 1 1   29    1    7 o  104.900   1.0990 -3.966000 2.198000 
1 1 1   29    1    8 o   81.820   0.7885 -0.2223000E-01 1.577000 
1 1 1   29    1    9 o   46.030   0.4758 -0.5984000 0.9516000 
1 1 1   29    1   10 o   80.560   0.7713 7.662000 1.543000 
1 1 1   29    1   11 o   49.130   0.4979 4.601000 0.9958000 
1 1 1   29    1   12 o   41.110   0.4397 3.891000 0.8793000 
1 1 1   29    1   13 o   10.840   0.6737 -0.4322000 1.347000 
1 1 1   29    1   14 o   36.550   0.4213 1.512000 0.8426000 
1 1 1   29    1   15 o   48.430   0.4487 -2.574000 0.8974000 
1 1 1   29    1   16 o   19.590   0.4488 0.2020000 0.8975000 
1 1 1   29    1   17 o   24.760   0.4134 3.993000 0.8268000 
1 1 1   29    1   18 o   31.090   0.4074 0.9871000 0.8148000 
1 1 1   29    1   19 f   55.050   0.5622 -2.801000 1.124000 
1 1 1   29    1   20 o   40.200   0.4558 -0.8221000 0.9116000 
1 1 1   29    1   21 o   35.570   0.4410 -2.288000 0.8819000 
1 1 1   29    1   22 o   30.660   0.4310 -0.8847000 0.8620000 
1 1 1   29    1   23 o   37.590   0.7293 -0.7241000E-01 1.459000 
1 1 1   29    1   24 o   31.200   0.7927 -1.313000 1.585000 
1 1 1   29    1   25 o   24.100   1.2860 -7.962000 2.573000 
1 1 1   29    1   26 o   70.250   1.4480 -84.12000 2.896000 
1 1 1   29    1   27 o   17.630   1.8910 3.887000 3.783000 
1 1 1   29    1   28 o   30.840   1.1970 3.778000 2.393000 
1 1 1   29    1   29 o   14.060   2.3890 4.137000 4.778000 
1 1 1   29    1   30 o   33.130   1.1940 -2.708000 2.389000 
1 1 1   29    1   31 o   20.380   1.7550 -1.136000 3.510000 
1 1 1   29    1   32 o   12.700   2.5840 3.423000 5.167000 
1 1 1   29    1   33 o   11.240   2.4740 -4.138000 4.949000 
1 1 1   29    1   34 o   17.180   2.1030 -2.182000 4.205000 
1 1 1   29    2    0 o   29.080   0.5947 -0.000000 0.000000 
1 1 1   29    2    1 o   67.060   0.7178 3.066000 1.436000 
1 1 1   29    2    2 o   67.150   0.7185 3.825000 1.437000 
1 1 1   29    2    3 o  101.900   1.0700 0.9252000 2.139000 
1 1 1   29    2    4 o   50.650   0.5645 0.7015000 1.129000 
1 1 1   29    2    5 o   61.620   0.6649 2.490000 1.330000 
1 1 1   29    2    6 o   35.020   0.4503 5.941000 0.9006000 
1 1 1   29    2    7 o   74.060   0.7868 0.3054000 1.574000 
1 1 1   29    2    8 o   39.580   0.4759 1.810000 0.9519000 
1 1 1   29    2    9 o   26.010   0.4376 -0.2044000 0.8753000 
1 1 1   29    2   10 f   71.030   0.7574 -1.430000 1.515000 
1 1 1   29    2   11 o   47.830   0.5424 4.026000 1.085000 
1 1 1   29    2   12 o   18.360   0.4935 0.4814000 0.9870000 
1 1 1   29    2   13 o   41.880   0.4998 1.232000 0.9996000 
1 1 1   29    2   14 o   27.490   0.4530 -1.078000 0.9061000 
1 1 1   29    2   15 o   22.670   0.4824 0.4191000 0.9648000 
1 1 1   29    2   16 o   37.010   0.4810 -1.863000 0.9621000 
1 1 1   29    2   17 o   21.090   0.5059 -2.010000 1.012000 
1 1 1   29    2   18 o   29.400   0.4376 6.320000 0.8753000 
1 1 1   29    2   19 o   42.250   0.4764 0.4554000 0.9528000 
1 1 1   29    2   20 o   23.220   0.4553 -0.6574000 0.9106000 
1 1 1   29    2   21 o   7.7770   1.2120 1.608000 2.423000 
1 1 1   29    2   22 o   9.6900   0.9874 0.1448000 1.975000 
1 1 1   29    2   23 o   24.780   0.5491 -2.003000 1.098000 
1 1 1   29    2   24 o   40.940   0.6364 -1.320000 1.273000 
1 1 1   29    2   25 o   35.100   0.5358 -0.5401000 1.072000 
1 1 1   29    2   26 o   9.8530   1.1890 1.603000 2.379000 
1 1 1   29    2   27 o   15.500   1.4650 -1.098000 2.930000 
1 1 1   29    2   28 o   30.910   0.8462 -4.408000 1.692000 
1 1 1   29    2   29 o   16.630   2.2050 6.073000 4.409000 
1 1 1   29    2   30 o   9.9680   2.5190 3.543000 5.038000 
1 1 1   29    2   31 o   24.620   1.4920 -1.854000 2.983000 
1 1 1   29    2   32 o   12.840   2.4460 -6.282000 4.891000 
1 1 1   29    2   33 o   8.2150   2.4060 0.8282000 4.812000 
1 1 1   29    2   34 o   12.440   2.2360 8.474000 4.472000 
1 1 1   29    3    0 o   65.080   0.9908 -0.000000 0.000000 
1 1 1   29    3    1 o   88.580   0.9349 1.936000 1.870000 
1 1 1   29    3    2 o   29.820   0.4425 7.489000 0.8850000 
1 1 1   29    3    3 o   35.040   0.4594 5.927000 0.9189000 
1 1 1   29    3    4 o   84.590   0.8941 1.446000 1.788000 
1 1 1   29    3    5 o   29.760   0.4580 12.32000 0.9160000 
1 1 1   29    3    6 o   98.840   1.0390 4.087000 2.078000 
1 1 1   29    3    7 o   52.560   0.5853 -0.8216000 1.171000 
1 1 1   29    3    8 o   38.220   0.4771 2.187000 0.9541000 
1 1 1   29    3    9 f   40.480   0.4939 3.757000 0.9877000 
1 1 1   29    3   10 o   67.940   0.7292 3.199000 1.458000 
1 1 1   29    3   11 o   53.970   0.5966 3.331000 1.193000 
1 1 1   29    3   12 o   26.330   0.4575 5.881000 0.9150000 
1 1 1   29    3   13 o   41.580   0.5058 -2.561000 1.012000 
1 1 1   29    3   14 o   44.660   0.5346 2.910000 1.069000 
1 1 1   29    3   15 o   27.700   0.4748 -0.1464000 0.9495000 
1 1 1   29    3   16 o   23.020   0.5270 1.255000 1.054000 
1 1 1   29    3   17 o   7.6920   1.3580 -0.4529000 2.716000 
1 1 1   29    3   18 o   50.940   0.5356 -0.7578000 1.071000 
1 1 1   29    3   19 o   31.170   0.4674 -0.9431000E-01 0.9348000 
1 1 1   29    3   20 o   25.370   0.5619 -0.9590000E-01 1.124000 
1 1 1   29    3   21 o   68.260   0.6837 -0.8956000 1.367000 
1 1 1   29    3   22 o   49.240   0.5452 2.431000 1.090000 
1 1 1   29    3   23 o   26.940   0.5409 1.671000 1.082000 
1 1 1   29    3   24 o   50.260   0.5333 -1.082000 1.067000 
1 1 1   29    3   25 o   19.810   0.6407 -3.479000 1.281000 
1 1 1   29    3   26 f   6.0590   1.6280 1.255000 3.257000 
1 1 1   29    3   27 o   33.240   0.6015 -0.4180000 1.203000 
1 1 1   29    3   28 f   16.470   0.9869 -1.832000 1.974000 
1 1 1   29    3   29 f   36.050   0.8258      ?      ? 
1 1 1   29    3   30 o   18.650   1.0340      ?      ? 
1 1 1   29    3   31 o   25.250   1.0330 -3.448000 2.066000 
1 1 1   29    3   32 o   8.7420   2.1180 -2.931000 4.235000 
1 1 1   29    3   33 o   5.0730   1.6450 -1.168000 3.290000 
1 1 1   29    3   34 o   8.1670   2.3490 3.477000 4.699000 
1 1 1   29    4    0 o   57.470   0.8982 -0.000000 0.000000 
1 1 1   29    4    1 o   73.040   0.7818 6.966000 1.564000 
1 1 1   29    4    2 o   75.750   0.8081 -3.704000 1.616000 
1 1 1   29    4    3 o   23.390   0.4839 -4.707000 0.9677000 
1 1 1   29    4    4 o   18.890   0.5463 -1.170000 1.093000 
1 1 1   29    4    5 o   37.280   0.4791 2.029000 0.9582000 
1 1 1   29    4    6 o   30.710   0.6459      ?      ? 
1 1 1   29    4    7 o   81.430   0.8645 0.5182000 1.729000 
1 1 1   29    4    8 o   42.680   0.5157 2.700000 1.031000 
1 1 1   29    4    9 o   76.470   0.8166 5.385000 1.633000 
1 1 1   29    4   10 o   5.8280   1.1750 -4.805000 2.350000 
1 1 1   29    4   11 o   43.250   0.5247 0.6167000 1.049000 
1 1 1   29    4   12 o   10.510   1.4480      ?      ? 
1 1 1   29    4   13 o   71.580   0.7695 1.299000 1.539000 
1 1 1   29    4   14 o   39.020   0.5105 -1.579000 1.021000 
1 1 1   29    4   15 o   37.370   0.4592 0.9822000 0.9185000 
1 1 1   29    4   16 o   14.850   0.7049 -4.380000 1.410000 
1 1 1   29    4   17 o   11.730   1.0000 4.073000 2.000000 
1 1 1   29    4   18 f   49.100   0.5358 -2.194000 1.072000 
1 1 1   29    4   19 o   29.550   0.4930 1.521000 0.9860000 
1 1 1   29    4   20 o   30.020   0.4991 0.6581000 0.9981000 
1 1 1   29    4   21 o   14.550   0.9754 -2.832000 1.951000 
1 1 1   29    4   22 o   26.510   0.5634 0.6193000 1.127000 
1 1 1   29    4   23 o   40.810   0.6327      ?      ? 
1 1 1   29    4   24 o   44.550   0.5504 -1.141000 1.101000 
1 1 1   29    4   25 o   24.570   0.6272 -1.054000 1.254000 
1 1 1   29    4   26 o   12.490   1.1920 -0.3130000 2.384000 
1 1 1   29    4   27 o   46.210   0.5775 -1.623000 1.155000 
1 1 1   29    4   28 o   11.790   1.2750 -2.247000 2.551000 
1 1 1   29    4   29 o   14.640   1.4230 5.047000 2.845000 
1 1 1   29    4   30 o   11.130   1.9680 6.023000 3.936000 
1 1 1   29    4   31 o   8.4690   2.0760 1.636000 4.152000 
1 1 1   29    4   32 o   12.230   1.9950 2.345000 3.990000 
1 1 1   29    4   34 o   6.7150   2.3730      ?      ? 
1 1 1   29    5    0 o  111.900   1.6600 -0.000000 0.000000 
1 1 1   29    5    1 o   74.540   0.8004 9.767000 1.601000 
1 1 1   29    5    2 o   35.130   0.4927 -4.067000 0.9853000 
1 1 1   29    5    3 o   82.210   0.8745 -1.523000 1.749000 
1 1 1   29    5    4 o   55.140   0.6192 3.061000 1.238000 
1 1 1   29    5    5 o   45.480   0.5493 -4.776000 1.099000 
1 1 1   29    5    6 o   11.270   1.0040 3.318000 2.008000 
1 1 1   29    5    7 o   18.110   0.6423 2.084000 1.285000 
1 1 1   29    5    8 o   11.100   1.1700 -9.163000 2.341000 
1 1 1   29    5    9 o   42.050   0.5275 -2.364000 1.055000 
1 1 1   29    5   10 o   22.240   0.5714 -7.041000 1.143000 
1 1 1   29    5   11 o   36.030   0.5123 -7.873000 1.025000 
1 1 1   29    5   12 o   24.740   0.7685      ?      ? 
1 1 1   29    5   13 o   48.940   0.5275 -1.432000 1.055000 
1 1 1   29    5   14 o   19.440   0.5827 0.2659000 1.165000 
1 1 1   29    5   15 o   46.910   0.5179 -2.404000 1.036000 
1 1 1   29    5   16 o   10.440   1.1030 -0.4636000 2.207000 
1 1 1   29    5   17 o   22.690   0.5830 5.810000 1.166000 
1 1 1   29    5   18 o   34.480   0.4911 -0.8129000 0.9822000 
1 1 1   29    5   19 o   31.890   0.5117 4.308000 1.023000 
1 1 1   29    5   20 o   44.410   0.5311 1.606000 1.062000 
1 1 1   29    5   21 o   25.060   0.5915 -2.089000 1.183000 
1 1 1   29    5   22 o   21.940   0.7560 -1.394000 1.512000 
1 1 1   29    5   23 o   29.880   0.6386 -1.928000 1.277000 
1 1 1   29    5   24 o   32.920   0.5771 0.4681000 1.154000 
1 1 1   29    5   25 o   49.860   0.6577 0.7452000 1.315000 
1 1 1   29    5   26 f   26.120   0.6707 -3.201000 1.341000 
1 1 1   29    5   27 o   17.330   1.0160 2.041000 2.032000 
1 1 1   29    5   28 o   19.620   0.9487 3.168000 1.897000 
1 1 1   29    5   29 o   35.920   0.6227 1.979000 1.245000 
1 1 1   29    5   30 o   19.960   0.9136 0.2880000 1.827000 
1 1 1   29    5   31 o   13.010   1.3320 1.604000 2.663000 
1 1 1   29    5   32 o   8.4760   2.0350 -7.954000 4.070000 
1 1 1   29    5   33 o   6.8630   1.9130 1.462000 3.827000 
1 1 1   29    6    0 o   54.130   0.8735 -0.000000 0.000000 
1 1 1   29    6    1 o   81.760   0.8743 1.272000 1.749000 
1 1 1   29    6    2 o   40.350   0.5239 -1.129000 1.048000 
1 1 1   29    6    3 o   28.970   0.5220 1.267000 1.044000 
1 1 1   29    6    4 o   65.680   0.7198 0.7610000 1.440000 
1 1 1   29    6    5 o   9.9430   1.2380 8.109000 2.476000 
1 1 1   29    6    6 o   30.330   0.5178 -1.720000 1.036000 
1 1 1   29    6    7 o   39.190   0.5278 -1.136000 1.056000 
1 1 1   29    6    8 o   17.500   0.7129 -1.203000 1.426000 
1 1 1   29    6    9 o   21.780   0.6202 1.679000 1.240000 
1 1 1   29    6   10 o   78.280   0.7682 0.4752000 1.536000 
1 1 1   29    6   11 o   26.740   0.5163 -4.835000 1.033000 
1 1 1   29    6   12 o   51.500   0.5514 1.910000 1.103000 
1 1 1   29    6   13 o   31.650   0.4862 -1.847000 0.9725000 
1 1 1   29    6   14 o   40.080   0.4993 -2.804000 0.9986000 
1 1 1   29    6   15 o   6.4800   1.5170 -1.116000 3.033000 
1 1 1   29    6   16 o   37.010   0.5071 7.158000 1.014000 
1 1 1   29    6   17 o   31.740   0.5768 -1.507000 1.154000 
1 1 1   29    6   18 o   44.910   0.6756      ?      ? 
1 1 1   29    6   19 o   43.620   0.5336 1.155000 1.067000 
1 1 1   29    6   20 o   22.410   0.6621 -4.236000 1.324000 
1 1 1   29    6   21 o   12.810   1.2520 3.800000 2.504000 
1 1 1   29    6   22 o   26.630   0.6537 4.856000 1.307000 
1 1 1   29    6   23 o   50.300   0.5974 -1.999000 1.195000 
1 1 1   29    6   24 o   13.170   1.3540 1.499000 2.708000 
1 1 1   29    6   25 o   37.650   0.5864 -1.898000 1.173000 
1 1 1   29    6   26 o   27.450   0.7116 -0.9202000E-01 1.423000 
1 1 1   29    6   27 o   43.360   0.6729 1.896000 1.346000 
1 1 1   29    6   28 o   16.190   1.2520 -0.6585000 2.503000 
1 1 1   29    6   29 o   9.4170   1.8050 3.945000 3.611000 
1 1 1   29    6   30 o   5.2960   1.6260 0.4034000 3.252000 
1 1 1   29    6   31 o   12.380   1.4740 1.026000 2.949000 
1 1 1   29    6   32 o   8.3250   1.6990 1.865000 3.398000 
1 1 1   29    6   33 o   8.7370   1.7740 3.205000 3.548000 
1 1 1   29    7    0 f   18.990   0.9682 -0.000000 0.000000 
1 1 1   29    7    1 o   36.680   0.5342 -3.954000 1.068000 
1 1 1   29    7    2 o   37.470   0.5386 1.326000 1.077000 
1 1 1   29    7    3 o   27.940   0.5557 0.1509000 1.111000 
1 1 1   29    7    4 o   34.960   0.5413 1.699000 1.083000 
1 1 1   29    7    5 o   30.150   0.5575 0.4397000 1.115000 
1 1 1   29    7    6 o   33.250   0.5292 -0.1937000 1.058000 
1 1 1   29    7    7 o   17.760   0.6905 2.028000 1.381000 
1 1 1   29    7    8 o   30.130   0.4950 3.696000 0.9900000 
1 1 1   29    7    9 o   42.200   0.5114 2.426000 1.023000 
1 1 1   29    7   10 o   36.620   0.6480      ?      ? 
1 1 1   29    7   11 o   19.190   0.6867 -1.548000 1.373000 
1 1 1   29    7   12 o   29.970   0.5254 1.349000 1.051000 
1 1 1   29    7   13 o   38.760   0.5054 0.1473000 1.011000 
1 1 1   29    7   14 o   12.230   1.1800 5.756000 2.359000 
1 1 1   29    7   15 o   26.590   0.7148      ?      ? 
1 1 1   29    7   16 o   18.400   0.7486 -2.773000 1.497000 
1 1 1   29    7   17 o   27.060   0.6656 -4.247000 1.331000 
1 1 1   29    7   18 o   16.120   1.0470 0.3457000 2.095000 
1 1 1   29    7   19 o   16.670   0.9003 -3.022000 1.801000 
1 1 1   29    7   20 o   13.630   1.3400 9.204000 2.680000 
1 1 1   29    7   21 o   20.190   0.8147 2.621000 1.629000 
1 1 1   29    7   22 o   10.210   1.7870 0.3825000 3.574000 
1 1 1   29    7   23 o   36.440   0.5951 1.838000 1.190000 
1 1 1   29    7   24 o   17.550   1.1480 -1.334000 2.296000 
1 1 1   29    7   25 o   32.470   0.6496 -0.1776000 1.299000 
1 1 1   29    7   26 o   20.060   1.0650 0.1161000 2.130000 
1 1 1   29    7   27 o   18.220   1.2230 3.358000 2.446000 
1 1 1   29    7   28 o   18.060   1.2600 2.998000 2.519000 
1 1 1   29    7   29 o   8.7250   1.8950 0.8203000 3.789000 
1 1 1   29    7   30 o   7.6920   1.7910 2.762000 3.583000 
1 1 1   29    7   31 o   8.7530   1.7450 3.049000 3.490000 
1 1 1   29    7   32 o   7.7930   1.6140 4.336000 3.228000 
1 1 1   29    7   33 f   7.5750   1.6690 2.845000 3.339000 
1 1 1   29    8    0 o   21.460   0.9335 -0.000000 0.000000 
1 1 1   29    8    1 o   28.760   0.5875 3.746000 1.175000 
1 1 1   29    8    2 o   10.530   1.3460 2.855000 2.691000 
1 1 1   29    8    3 o   29.240   0.5220 -5.706000 1.044000 
1 1 1   29    8    4 o   56.620   0.6031 1.386000 1.206000 
1 1 1   29    8    5 o   24.970   0.5780 -0.3699000 1.156000 
1 1 1   29    8    6 o   30.690   0.5227 -0.8185000 1.045000 
1 1 1   29    8    7 f   29.070   0.5349 -0.6927000 1.070000 
1 1 1   29    8    8 f   16.410   0.7973 -1.873000 1.595000 
1 1 1   29    8    9 o   8.8730   1.3770 5.289000 2.755000 
1 1 1   29    8   10 o   13.480   1.0210 0.4441000 2.041000 
1 1 1   29    8   11 o   23.080   0.6406 -0.4312000 1.281000 
1 1 1   29    8   12 o   23.450   0.6329 -1.095000 1.266000 
1 1 1   29    8   13 o   12.170   1.1510 -1.402000 2.302000 
1 1 1   29    8   14 o   44.710   0.5481 0.6172000 1.096000 
1 1 1   29    8   15 o   30.430   0.5511 1.787000 1.102000 
1 1 1   29    8   16 o   37.160   0.5441 2.125000 1.088000 
1 1 1   29    8   17 o   25.150   0.6562 0.2139000 1.312000 
1 1 1   29    8   18 o   34.880   0.5719 -0.1204000 1.144000 
1 1 1   29    8   19 o   15.270   1.2440 -2.451000 2.487000 
1 1 1   29    8   20 o   16.750   1.0180 -3.403000 2.037000 
1 1 1   29    8   21 o   9.5240   1.2790 10.29000 2.559000 
1 1 1   29    8   22 f   27.310   0.7123 -3.462000 1.425000 
1 1 1   29    8   23 o   23.570   0.8626 4.702000 1.725000 
1 1 1   29    8   24 f   37.040   0.6478 0.8863000E-01 1.296000 
1 1 1   29    8   25 o   12.300   1.6590 0.9305000 3.317000 
1 1 1   29    8   26 o   27.590   0.7743 1.039000 1.549000 
1 1 1   29    8   27 o   27.580   0.7893 -2.195000 1.579000 
1 1 1   29    8   28 o   18.030   1.1270 0.6418000 2.255000 
1 1 1   29    8   29 o   14.450   1.4860 0.6775000 2.971000 
1 1 1   29    8   30 o   15.150   1.3520 -1.673000 2.705000 
1 1 1   29    8   31 o   13.780   1.4600 0.4739000 2.921000 
1 1 1   29    8   32 o   6.9810   1.7690 1.839000 3.539000 
1 1 1   29    9    0 o   13.390   1.3470 -0.000000 0.000000 
1 1 1   29    9    1 o   20.340   0.6705 -6.685000 1.341000 
1 1 1   29    9    2 o   35.890   0.5384 -2.392000 1.077000 
1 1 1   29    9    3 o   66.840   0.6899 -3.678000 1.380000 
1 1 1   29    9    4 o   33.900   0.5470 -3.481000 1.094000 
1 1 1   29    9    5 o   31.370   0.5445 -0.2273000E-01 1.089000 
1 1 1   29    9    6 o   30.240   0.5495 3.273000 1.099000 
1 1 1   29    9    7 o   35.650   0.5328 -2.825000 1.066000 
1 1 1   29    9    8 o   26.640   0.6053 3.944000 1.211000 
1 1 1   29    9    9 o   21.830   0.6796 -3.377000 1.359000 
1 1 1   29    9   10 o   34.740   0.5371 -2.452000 1.074000 
1 1 1   29    9   11 o   30.520   0.5854 -4.044000 1.171000 
1 1 1   29    9   12 o   14.140   1.0850 2.263000 2.171000 
1 1 1   29    9   13 o   36.040   0.7241      ?      ? 
1 1 1   29    9   14 o   22.470   0.6227 2.389000 1.245000 
1 1 1   29    9   15 o   38.990   0.5791 -0.1501000 1.158000 
1 1 1   29    9   16 o   36.240   0.5510 -0.3196000 1.102000 
1 1 1   29    9   17 o   42.840   0.5157 -0.5302000 1.031000 
1 1 1   29    9   18 o   23.290   0.6642 0.4137000 1.328000 
1 1 1   29    9   19 o   21.370   0.7452 -1.563000 1.490000 
1 1 1   29    9   20 o   29.350   0.6070 -2.425000 1.214000 
1 1 1   29    9   21 o   19.540   0.8430 -0.6704000 1.686000 
1 1 1   29    9   22 o   26.070   0.6772 -0.8376000E-01 1.354000 
1 1 1   29    9   23 o   21.900   0.9381 -0.6693000 1.876000 
1 1 1   29    9   24 o   11.420   1.5910 -2.407000 3.183000 
1 1 1   29    9   25 o   29.220   0.6699 -0.5291000 1.340000 
1 1 1   29    9   26 o   7.3150   1.8500 -1.007000 3.701000 
1 1 1   29    9   27 o   40.600   0.5877 -2.052000 1.175000 
1 1 1   29    9   28 o   14.140   1.2730 2.138000 2.547000 
1 1 1   29    9   29 o   10.020   1.6630 3.038000 3.326000 
1 1 1   29    9   30 o   22.850   0.7502 -3.206000 1.500000 
1 1 1   29    9   31 o   6.8590   1.7410 0.7715000 3.483000 
1 1 1   29    9   32 o   6.2920   1.5620 -3.847000 3.124000 
1 1 1   29   10    0 o   55.710   0.7805 -0.000000 0.000000 
1 1 1   29   10    1 o   26.250   0.5843 3.964000 1.169000 
1 1 1   29   10    2 f   66.100   0.6168 0.4673000 1.234000 
1 1 1   29   10    3 o   12.820   1.1210 -3.174000 2.242000 
1 1 1   29   10    4 o   28.540   0.5591 1.265000 1.118000 
1 1 1   29   10    5 o   45.420   0.5125 -1.745000 1.025000 
1 1 1   29   10    6 o   27.680   0.6295 -0.2987000 1.259000 
1 1 1   29   10    7 o   25.880   0.6416 2.473000 1.283000 
1 1 1   29   10    8 o   13.920   1.1110 1.481000 2.223000 
1 1 1   29   10    9 o   11.300   1.2490 4.979000 2.497000 
1 1 1   29   10   10 o   46.020   0.5123 -1.241000 1.025000 
1 1 1   29   10   11 o   7.9280   1.6440 0.3267000 3.288000 
1 1 1   29   10   12 o   29.510   0.6357 -0.5841000 1.271000 
1 1 1   29   10   13 o   27.790   0.5831 0.1668000 1.166000 
1 1 1   29   10   14 o   29.470   0.6405 2.267000 1.281000 
1 1 1   29   10   15 o   58.830   0.5801 -0.8071000 1.160000 
1 1 1   29   10   16 o   26.590   0.6471 -1.963000 1.294000 
1 1 1   29   10   17 o   34.970   0.5582 0.5201000 1.116000 
1 1 1   29   10   18 o   24.900   0.6894 -0.1374000 1.379000 
1 1 1   29   10   19 o   32.730   0.6024 1.814000 1.205000 
1 1 1   29   10   20 f   10.650   1.6500 2.576000 3.300000 
1 1 1   29   10   21 o   12.100   1.5340 4.801000 3.067000 
1 1 1   29   10   22 o   15.920   1.4180 -4.029000 2.836000 
1 1 1   29   10   23 o   19.830   0.9626 -0.1840000 1.925000 
1 1 1   29   10   24 o   11.410   1.7040 -0.3254000 3.409000 
1 1 1   29   10   25 o   10.670   1.7710 1.139000 3.543000 
1 1 1   29   10   26 o   24.430   0.8122 -1.459000 1.624000 
1 1 1   29   10   27 o   17.200   1.1150 -1.132000 2.231000 
1 1 1   29   10   28 o   7.9380   1.8920 -0.9383000 3.784000 
1 1 1   29   10   29 o   16.440   1.0810 -2.301000 2.163000 
1 1 1   29   10   30 o   4.6230   1.4820 2.208000 2.965000 
1 1 1   29   10   31 f   6.4700   1.7380 -0.7583000 3.475000 
1 1 1   29   11    0 o   23.800   0.9620 -0.000000 0.000000 
1 1 1   29   11    1 o   31.780   0.5633 0.2450000 1.127000 
1 1 1   29   11    2 o   29.130   0.5890 -0.8732000 1.178000 
1 1 1   29   11    3 f   19.160   0.8112 1.467000 1.622000 
1 1 1   29   11    4 o   52.670   0.5489 -0.4748000 1.098000 
1 1 1   29   11    5 o   58.320   0.5411 -0.9307000 1.082000 
1 1 1   29   11    6 o   11.440   1.2750 -2.352000 2.550000 
1 1 1   29   11    7 o   7.7550   1.6260 1.405000 3.253000 
1 1 1   29   11    8 o   30.860   0.5371 2.689000 1.074000 
1 1 1   29   11    9 o   27.950   0.5708 3.950000 1.142000 
1 1 1   29   11   10 o   37.930   0.5083 -0.7028000 1.017000 
1 1 1   29   11   11 f   38.630   0.5052 -0.9899000 1.010000 
1 1 1   29   11   12 o   79.650   0.6773 1.769000 1.355000 
1 1 1   29   11   13 o   44.310   0.5135 1.261000 1.027000 
1 1 1   29   11   14 o   40.720   0.5239 2.085000 1.048000 
1 1 1   29   11   15 o   25.430   0.6913 -1.423000 1.383000 
1 1 1   29   11   16 o   15.620   1.1310 -1.798000 2.263000 
1 1 1   29   11   17 o   17.190   1.0270 2.648000 2.055000 
1 1 1   29   11   18 o   46.750   0.5776 2.740000 1.155000 
1 1 1   29   11   19 o   8.7360   1.8560 3.255000 3.711000 
1 1 1   29   11   20 o   8.4510   1.8470 3.567000 3.693000 
1 1 1   29   11   21 o   39.890   0.6119 -2.368000 1.224000 
1 1 1   29   11   22 o   19.540   1.0410 -2.070000 2.082000 
1 1 1   29   11   23 o   18.540   1.1220 -0.8205000 2.243000 
1 1 1   29   11   24 o   23.790   0.8991 -1.720000 1.798000 
1 1 1   29   11   25 f   21.030   0.9916 -2.472000 1.983000 
1 1 1   29   11   26 o   19.430   1.0580 0.5014000 2.117000 
1 1 1   29   11   27 o   9.1220   1.9430 -2.903000 3.886000 
1 1 1   29   11   28 o   9.5500   1.8600 3.661000 3.720000 
1 1 1   29   11   29 o   9.1650   1.7060 -6.151000 3.411000 
1 1 1   29   11   30 o   8.9730   1.8540 0.9939000 3.709000 
1 1 1   29   12    0 o   21.470   1.1430 -0.000000 0.000000 
1 1 1   29   12    1 o   45.790   0.5497 1.567000 1.099000 
1 1 1   29   12    2 o   9.1650   1.5280 -4.329000 3.056000 
1 1 1   29   12    3 o   39.000   0.5237 2.686000 1.047000 
1 1 1   29   12    4 o   21.450   0.7302 -0.5856000 1.460000 
1 1 1   29   12    5 o   33.320   0.5513 1.250000 1.103000 
1 1 1   29   12    6 o   60.000   0.5649 2.782000 1.130000 
1 1 1   29   12    7 o   23.720   0.6829 0.9895000 1.366000 
1 1 1   29   12    8 o   45.990   0.5250 2.409000 1.050000 
1 1 1   29   12    9 o   30.280   0.5791 1.628000 1.158000 
1 1 1   29   12   10 o   27.930   0.6251 1.410000 1.250000 
1 1 1   29   12   11 o   54.550   0.5473 0.1305000 1.095000 
1 1 1   29   12   12 f   16.180   1.0480 5.137000 2.096000 
1 1 1   29   12   13 o   47.910   0.5391 0.3351000 1.078000 
1 1 1   29   12   14 o   22.370   0.9173 5.410000 1.835000 
1 1 1   29   12   15 o   37.150   0.5834 -0.9604000 1.167000 
1 1 1   29   12   16 o   6.6790   1.8100 -0.8600000 3.621000 
1 1 1   29   12   17 o   44.150   0.5640 0.8524000 1.128000 
1 1 1   29   12   18 o   22.570   0.8480 2.344000 1.696000 
1 1 1   29   12   19 o   14.210   1.4210 -1.846000 2.842000 
1 1 1   29   12   20 o   15.970   1.2610 1.229000 2.522000 
1 1 1   29   12   21 o   19.670   1.0470 1.032000 2.094000 
1 1 1   29   12   22 f   10.370   1.9310 0.3259000 3.861000 
1 1 1   29   12   23 o   20.680   1.0160 0.6650000 2.032000 
1 1 1   29   12   24 o   33.320   0.6940 2.135000 1.388000 
1 1 1   29   12   25 o   15.680   1.3350 0.6032000 2.671000 
1 1 1   29   12   26 o   7.7280   1.8840 4.118000 3.768000 
1 1 1   29   12   27 o   11.110   1.5970 9.802000 3.194000 
1 1 1   29   12   28 o   14.510   1.4650 -4.879000 2.930000 
1 1 1   29   12   29 o   10.760   1.7660 0.2331000 3.532000 
1 1 1   29   12   30 o   9.8330   1.8030 3.776000 3.606000 
1 1 1   29   13    0 o   31.040   0.7642 -0.000000 0.000000 
1 1 1   29   13    1 o   8.3270   1.7740 2.025000 3.547000 
1 1 1   29   13    2 o   13.580   1.2410 3.588000 2.481000 
1 1 1   29   13    3 o   19.780   0.8542 -0.6277000 1.708000 
1 1 1   29   13    4 o   24.940   0.7031 -0.5467000 1.406000 
1 1 1   29   13    5 o   39.760   0.5486 0.4921000 1.097000 
1 1 1   29   13    6 o   35.830   0.5615 1.263000 1.123000 
1 1 1   29   13    7 o   10.770   1.5930 -1.312000 3.185000 
1 1 1   29   13    8 o   32.870   0.5924 -0.5612000 1.185000 
1 1 1   29   13    9 o   5.0930   1.6080 0.6611000 3.216000 
1 1 1   29   13   10 o   13.730   1.3150 -2.412000 2.630000 
1 1 1   29   13   11 o   17.930   0.9822 3.036000 1.964000 
1 1 1   29   13   12 o   35.920   0.5915 2.256000 1.183000 
1 1 1   29   13   13 o   14.420   1.2730 2.806000 2.546000 
1 1 1   29   13   14 o   12.070   1.5490 -1.087000 3.099000 
1 1 1   29   13   15 o   18.190   1.0500 -1.729000 2.100000 
1 1 1   29   13   16 o   32.990   0.6574 -3.204000 1.315000 
1 1 1   29   13   17 o   38.210   0.6180 -1.423000 1.236000 
1 1 1   29   13   18 o   38.930   0.6272 -1.615000 1.254000 
1 1 1   29   13   19 o   24.320   0.8842 -0.8407000 1.768000 
1 1 1   29   13   20 o   23.410   1.0920 0.5046000 2.184000 
1 1 1   29   13   21 o   21.930   1.0120 0.9780000 2.023000 
1 1 1   29   13   22 o   11.060   1.9070 2.110000 3.814000 
1 1 1   29   13   23 o   24.280   0.9865 3.082000 1.973000 
1 1 1   29   13   24 o   7.0750   1.9620 2.575000 3.925000 
1 1 1   29   13   25 o   8.1880   1.9300 -4.081000 3.860000 
1 1 1   29   13   26 o   9.3860   1.6770 8.100000 3.355000 
1 1 1   29   13   27 o   13.200   1.6280 -2.733000 3.255000 
1 1 1   29   13   28 o   8.6540   2.0020 1.434000 4.003000 
1 1 1   29   13   29 o   6.8330   1.9080 0.2217000 3.817000 
1 1 1   29   14    0 o   38.870   0.7421 -0.000000 0.000000 
1 1 1   29   14    1 o   11.120   1.5040 -0.5318000 3.009000 
1 1 1   29   14    2 o   14.440   1.1800 3.003000 2.360000 
1 1 1   29   14    3 o   8.4850   1.7560 -2.294000 3.512000 
1 1 1   29   14    4 o   7.3820   1.8720 0.4130000 3.743000 
1 1 1   29   14    5 o   24.680   0.7584 1.654000 1.517000 
1 1 1   29   14    6 o   32.990   0.6267 0.7489000 1.253000 
1 1 1   29   14    7 o   27.680   0.7139 -0.5326000 1.428000 
1 1 1   29   14    8 o   19.360   0.9607 1.440000 1.921000 
1 1 1   29   14    9 o   39.270   0.5917 -2.338000 1.183000 
1 1 1   29   14   10 o   10.090   1.7970 -0.5880000E-01 3.594000 
1 1 1   29   14   11 o   41.080   0.5852 0.2160000 1.170000 
1 1 1   29   14   12 o   7.1760   1.9200 1.425000 3.840000 
1 1 1   29   14   13 o   13.940   1.5020 -2.744000 3.004000 
1 1 1   29   14   14 o   31.880   0.6979 1.153000 1.396000 
1 1 1   29   14   15 o   20.380   0.9933 0.4209000 1.987000 
1 1 1   29   14   16 o   8.7910   1.9750 2.905000 3.949000 
1 1 1   29   14   17 o   19.380   1.1110 4.445000 2.221000 
1 1 1   29   14   18 o   19.990   1.1120 0.3937000 2.224000 
1 1 1   29   14   19 o   19.500   1.1900 -3.106000 2.381000 
1 1 1   29   14   20 o   22.240   1.0380 2.145000 2.075000 
1 1 1   29   14   21 o   12.110   1.7460 11.22000 3.492000 
1 1 1   29   14   22 o   12.700   1.7940 2.877000 3.588000 
1 1 1   29   14   23 o   16.740   1.3610 1.325000 2.722000 
1 1 1   29   14   24 o   10.680   1.7310 9.004000 3.462000 
1 1 1   29   14   25 o   7.8170   2.0090 2.147000 4.018000 
1 1 1   29   14   26 o   7.4060   2.0900 3.607000 4.180000 
1 1 1   29   14   27 o   14.960   1.3950 0.3681000 2.790000 
1 1 1   29   14   28 o   9.6780   1.9690 1.896000 3.939000 
1 1 1   29   15    0 o   22.080   1.1460 -0.000000 0.000000 
1 1 1   29   15    1 o   18.630   0.9504 0.7994000 1.901000 
1 1 1   29   15    2 o   26.930   0.6739 -0.8064000 1.348000 
1 1 1   29   15    3 o   41.110   0.5859 -2.346000 1.172000 
1 1 1   29   15    4 o   20.730   0.8696 -3.286000 1.739000 
1 1 1   29   15    5 o   49.690   0.5379 -1.040000 1.076000 
1 1 1   29   15    6 o   33.350   0.6613 -0.5841000 1.323000 
1 1 1   29   15    7 o   7.5010   1.9510 2.301000 3.902000 
1 1 1   29   15    8 o   34.400   0.6587 0.1851000 1.317000 
1 1 1   29   15    9 o   25.990   0.8068 2.434000 1.614000 
1 1 1   29   15   10 o   15.510   1.3170 3.375000 2.634000 
1 1 1   29   15   11 o   13.290   1.6530 -1.678000 3.306000 
1 1 1   29   15   12 o   15.260   1.4400 -2.294000 2.880000 
1 1 1   29   15   13 o   24.310   0.9043 0.6293000 1.809000 
1 1 1   29   15   14 o   10.620   1.9400 3.147000 3.879000 
1 1 1   29   15   15 o   7.7750   2.0050 -1.698000 4.010000 
1 1 1   29   15   16 o   20.040   1.1360 -0.6023000 2.272000 
1 1 1   29   15   17 o   20.810   1.0940 2.111000 2.189000 
1 1 1   29   15   18 o   9.4100   2.1540 1.066000 4.309000 
1 1 1   29   15   19 o   11.390   1.9870 4.269000 3.973000 
1 1 1   29   15   20 o   11.090   2.0120 -2.994000 4.024000 
1 1 1   29   15   21 o   7.1270   2.0440 1.067000 4.088000 
1 1 1   29   15   22 o   8.7510   2.1380 -0.1811000 4.275000 
1 1 1   29   15   23 o   8.3290   2.1000 0.6889000 4.200000 
1 1 1   29   15   24 o   10.670   1.9980 0.6260000 3.996000 
1 1 1   29   15   25 o   8.3410   1.9080 -4.287000 3.816000 
1 1 1   29   15   26 o   5.7220   1.8070 1.195000 3.613000 
1 1 1   29   15   27 o   7.6100   1.9400 4.288000 3.880000 
1 1 1   29   16    0 o   23.810   1.1420 -0.000000 0.000000 
1 1 1   29   16    1 o   7.9430   1.9000 1.594000 3.800000 
1 1 1   29   16    2 o   21.630   0.8939 2.839000 1.788000 
1 1 1   29   16    3 o   26.070   0.7584 -0.2180000 1.517000 
1 1 1   29   16    4 o   32.920   0.6373 1.786000 1.275000 
1 1 1   29   16    5 o   35.370   0.6206 3.850000 1.241000 
1 1 1   29   16    6 o   33.230   0.6507 -3.459000 1.301000 
1 1 1   29   16    7 o   40.090   0.6497 -0.8795000 1.299000 
1 1 1   29   16    8 o   15.080   1.4640 3.105000 2.929000 
1 1 1   29   16    9 o   21.430   1.0330 -0.2539000 2.067000 
1 1 1   29   16   10 o   15.300   1.4600 0.6798000 2.919000 
1 1 1   29   16   11 o   13.910   1.7140 -7.473000 3.429000 
1 1 1   29   16   12 o   7.1360   2.1080 1.560000 4.216000 
1 1 1   29   16   13 o   17.200   1.3320 0.1807000 2.665000 
1 1 1   29   16   14 f   16.400   1.4620 -0.1440000 2.925000 
1 1 1   29   16   15 o   28.310   0.8780 -0.5120000 1.756000 
1 1 1   29   16   16 o   7.1560   2.0710 0.5130000 4.142000 
1 1 1   29   16   17 o   12.440   1.9450 0.1996000 3.890000 
1 1 1   29   16   18 o   8.6060   2.0790 4.732000 4.159000 
1 1 1   29   16   19 f   12.690   1.9190 -1.173000 3.837000 
1 1 1   29   16   20 o   9.9800   2.0770 4.661000 4.154000 
1 1 1   29   16   21 o   14.370   1.6820 -1.209000 3.364000 
1 1 1   29   16   22 o   12.270   1.9340 -1.808000 3.869000 
1 1 1   29   16   23 o   12.710   1.8300 1.590000 3.660000 
1 1 1   29   16   24 o   9.5330   2.0400 4.469000 4.079000 
1 1 1   29   16   25 o   11.060   1.9110 4.018000 3.822000 
1 1 1   29   17    0 o   38.310   0.8886 -0.000000 0.000000 
1 1 1   29   17    1 o   31.260   0.7112 -1.109000 1.422000 
1 1 1   29   17    2 o   26.920   0.8050 -1.058000 1.610000 
1 1 1   29   17    3 o   38.950   0.6205 1.840000 1.241000 
1 1 1   29   17    4 o   12.290   1.7240 -2.947000 3.447000 
1 1 1   29   17    5 o   31.990   0.7071 2.051000 1.414000 
1 1 1   29   17    6 o   13.790   1.5510 2.241000 3.102000 
1 1 1   29   17    7 o   28.350   0.7888 -2.359000 1.578000 
1 1 1   29   17    8 o   25.060   0.8905 -1.229000 1.781000 
1 1 1   29   17    9 o   25.330   0.9846 -4.964000 1.969000 
1 1 1   29   17   10 o   12.550   1.8700 -0.9754000 3.741000 
1 1 1   29   17   11 o   26.270   0.9393 0.3405000 1.879000 
1 1 1   29   17   12 o   36.340   0.7490 -0.9618000 1.498000 
1 1 1   29   17   13 o   17.160   1.4440 2.502000 2.887000 
1 1 1   29   17   14 f   7.6410   2.1120 3.134000 4.223000 
1 1 1   29   17   15 o   18.650   1.3260 3.914000 2.652000 
1 1 1   29   17   16 o   8.7490   2.1870 0.6200000 4.374000 
1 1 1   29   17   17 o   10.590   2.1260 -1.227000 4.252000 
1 1 1   29   17   18 o   10.340   1.8810 -6.502000 3.762000 
1 1 1   29   17   19 o   6.0960   1.9090 0.1416000 3.818000 
1 1 1   29   17   20 o   15.670   1.5800 -2.288000 3.160000 
1 1 1   29   17   21 o   10.420   2.1080 -1.708000 4.216000 
1 1 1   29   17   22 o   8.8570   2.1030 -1.658000 4.207000 
1 1 1   29   17   23 o   15.320   1.6230 -4.598000 3.246000 
1 1 1   29   17   24 o   9.4890   2.1010 1.589000 4.202000 
1 1 1   29   18    0 f   17.040   1.8210 -0.000000 0.000000 
1 1 1   29   18    1 o   12.230   1.8050 5.771000 3.611000 
1 1 1   29   18    2 o   18.830   1.1790 -0.5515000 2.358000 
1 1 1   29   18    3 o   20.490   1.0900 -0.2803000 2.180000 
1 1 1   29   18    4 o   20.070   1.1260 0.8757000 2.253000 
1 1 1   29   18    5 o   14.140   1.6230 -0.6431000 3.245000 
1 1 1   29   18    6 o   16.450   1.4300 -1.575000 2.859000 
1 1 1   29   18    7 o   7.8430   2.0810 1.041000 4.162000 
1 1 1   29   18    8 o   15.310   1.5690 -3.655000 3.139000 
1 1 1   29   18    9 o   10.590   2.0810 -0.2339000 4.163000 
1 1 1   29   18   10 o   10.440   2.1410 4.020000 4.283000 
1 1 1   29   18   11 o   12.870   1.9790 3.183000 3.957000 
1 1 1   29   18   12 o   7.9810   2.1520 3.136000 4.305000 
1 1 1   29   18   13 o   8.8360   2.1350 -2.602000 4.270000 
1 1 1   29   18   14 o   13.290   1.9280 -3.369000 3.856000 
1 1 1   29   18   15 o   8.0440   2.1780 2.011000 4.356000 
1 1 1   29   18   16 o   11.500   2.1160 1.135000 4.231000 
1 1 1   29   18   17 o   20.210   1.2560 -2.848000 2.511000 
1 1 1   29   18   18 o   9.1090   2.0770 -3.528000 4.154000 
1 1 1   29   18   19 o   7.0550   1.9900 4.305000 3.980000 
1 1 1   29   18   20 o   7.6620   2.1200 1.281000 4.239000 
1 1 1   29   18   21 o   6.7500   1.9700 -1.791000 3.940000 
1 1 1   29   18   22 o   8.3760   2.1300 0.6134000 4.259000 
1 1 1   29   18   23 o   9.9740   2.3920 3.025000 4.785000 
1 1 1   29   19    0 o   10.940   2.9180 -0.000000 0.000000 
1 1 1   29   19    1 o   13.520   1.8180 3.529000 3.636000 
1 1 1   29   19    2 o   13.060   1.8270 8.205000 3.654000 
1 1 1   29   19    3 o   10.940   2.0580 0.4557000 4.115000 
1 1 1   29   19    4 f   26.920   0.9219 -0.7372000 1.844000 
1 1 1   29   19    5 o   12.670   1.9070 4.776000 3.813000 
1 1 1   29   19    6 o   10.140   2.0220 4.967000 4.043000 
1 1 1   29   19    7 o   17.910   1.3630 0.3652000 2.726000 
1 1 1   29   19    8 o   15.050   1.6470 2.626000 3.293000 
1 1 1   29   19    9 o   8.2700   2.1530 -0.9604000 4.307000 
1 1 1   29   19   10 o   18.610   1.3830 6.700000 2.765000 
1 1 1   29   19   11 o   8.8960   2.1310 -1.706000 4.262000 
1 1 1   29   19   12 o   13.230   1.9560 -4.576000 3.911000 
1 1 1   29   19   13 o   7.2110   2.0710 -1.090000 4.142000 
1 1 1   29   19   14 o   6.7740   2.0260 -0.8777000 4.052000 
1 1 1   29   19   15 o   7.9100   2.1340 3.279000 4.268000 
1 1 1   29   19   16 o   16.090   1.5710 3.142000 3.143000 
1 1 1   29   19   17 o   7.3150   2.1070 1.419000 4.215000 
1 1 1   29   19   18 o   10.290   2.1470 -1.541000 4.294000 
1 1 1   29   19   19 o   7.1000   2.0660 0.5986000 4.132000 
1 1 1   29   19   20 o   8.5510   2.0790 -2.280000 4.158000 
1 1 1   29   19   21 o   9.3100   2.1360 -0.3681000E-01 4.272000 
1 1 1   29   20    0 o   10.400   3.0470 -0.000000 0.000000 
1 1 1   29   20    1 o   10.840   2.1270 0.3539000 4.253000 
1 1 1   29   20    2 o   8.1890   2.1660 -0.3135000 4.331000 
1 1 1   29   20    3 o   15.040   1.6750 2.735000 3.351000 
1 1 1   29   20    4 o   13.280   1.8660 1.467000 3.732000 
1 1 1   29   20    5 o   13.460   1.8330 3.571000 3.666000 
1 1 1   29   20    6 o   6.5000   1.9880 -0.8079000 3.977000 
1 1 1   29   20    7 o   7.3720   2.0840 2.090000 4.168000 
1 1 1   29   20    8 o   8.3850   2.1030 3.471000 4.207000 
1 1 1   29   20    9 o   7.9620   2.1320 -1.923000 4.264000 
1 1 1   29   20   10 f   8.2800   2.0980 3.293000 4.195000 
1 1 1   29   20   11 f   6.4420   1.9630 -1.073000 3.926000 
1 1 1   29   20   12 o   11.500   1.9150 -5.930000 3.830000 
1 1 1   29   20   13 o   8.4000   2.1570 -0.9732000 4.315000 
1 1 1   29   20   14 o   8.6410   2.1490 -1.992000 4.299000 
1 1 1   29   20   15 o   9.2110   2.2100 2.942000 4.420000 
1 1 1   29   20   16 o   12.160   2.0170 1.839000 4.034000 
1 1 1   29   20   17 o   8.8150   2.1640 2.211000 4.328000 
1 1 1   29   20   18 o   6.4100   1.9610 1.180000 3.922000 
1 1 1   29   20   19 o   7.6960   2.0580 4.004000 4.116000 
1 1 1   29   21    0 o   10.210   3.0880 -0.000000 0.000000 
1 1 1   29   21    1 f   10.450   2.1480 3.955000 4.296000 
1 1 1   29   21    2 o   7.7700   2.1610 -0.9484000 4.321000 
1 1 1   29   21    3 o   6.2880   1.9720 0.1244000 3.945000 
1 1 1   29   21    4 o   6.5300   2.0040 -0.6923000 4.009000 
1 1 1   29   21    5 o   11.370   2.1290 -1.544000 4.259000 
1 1 1   29   21    6 o   8.1790   2.1640 -1.399000 4.328000 
1 1 1   29   21    7 o   10.700   1.8250 8.667000 3.649000 
1 1 1   29   21    8 o   7.6280   2.0750 -2.871000 4.149000 
1 1 1   29   21    9 o   8.0920   2.1530 -0.6989000 4.305000 
1 1 1   29   21   10 o   9.5290   2.1640 -0.7509000 4.328000 
1 1 1   29   21   11 f   6.0660   1.8910 1.493000 3.782000 
1 1 1   29   21   12 o   8.1780   2.0010 -4.087000 4.003000 
1 1 1   29   21   13 o   11.450   1.9780 -0.9360000 3.957000 
1 1 1   29   21   14 o   8.2800   2.0270 -3.861000 4.054000 
1 1 1   29   21   15 o   6.0290   1.8990 0.1856000 3.798000 
1 1 1   29   21   16 o   5.8490   1.8750 1.697000 3.750000 
1 1 1   29   21   17 o   8.5050   3.7620      ?      ? 
1 1 1   29   22    0 o   10.200   3.1050 -0.000000 0.000000 
1 1 1   29   22    1 o   6.9390   2.0580 -0.9113000 4.115000 
1 1 1   29   22    2 o   9.2960   2.1660 -2.966000 4.333000 
1 1 1   29   22    3 o   7.0700   2.0860 0.7238000E-01 4.172000 
1 1 1   29   22    4 o   15.800   1.6820 -6.864000 3.363000 
1 1 1   29   22    5 o   11.240   2.0750 -1.754000 4.149000 
1 1 1   29   22    6 o   6.6450   1.9860 1.907000 3.972000 
1 1 1   29   22    7 o   9.0430   1.8890 6.702000 3.777000 
1 1 1   29   22    8 o   8.4880   2.1390 -0.5655000 4.278000 
1 1 1   29   22    9 o   8.0180   2.1070 1.753000 4.213000 
1 1 1   29   22   10 o   6.1290   1.8980 -0.8337000 3.797000 
1 1 1   29   22   11 o   6.7130   1.8760 -3.928000 3.752000 
1 1 1   29   22   12 o   7.3170   1.9970 -1.404000 3.994000 
1 1 1   29   22   13 o   8.9850   1.9860 3.017000 3.971000 
1 1 1   29   22   14 o   4.5530   1.5850 -0.7279000 3.169000 
1 1 1   29   23    0 o   10.670   3.0820 -0.000000 0.000000 
1 1 1   29   23    1 o   8.3080   2.1500 2.204000 4.300000 
1 1 1   29   23    2 o   9.6300   2.1840 -0.4477000 4.368000 
1 1 1   29   23    3 o   7.3510   2.0580 -2.348000 4.116000 
1 1 1   29   23    4 o   8.6430   2.1640 1.701000 4.327000 
1 1 1   29   23    5 o   5.8870   1.8660 1.764000 3.732000 
1 1 1   29   23    6 o   8.8290   2.1470 -1.723000 4.293000 
1 1 1   29   23    7 o   7.3030   2.0040 2.842000 4.008000 
1 1 1   29   23    8 o   6.4430   1.9300 1.160000 3.860000 
1 1 1   29   23    9 o   6.2230   1.8940 0.9165000 3.788000 
1 1 1   29   23   10 o   7.1770   1.9890 -2.461000 3.979000 
1 1 1   29   24    0 o   5.3400   2.4920 -0.000000 0.000000 
1 1 1   29   24    1 o   8.4100   2.1640 -0.2214000 4.328000 
1 1 1   29   24    2 o   8.3560   2.2400 0.1410000 4.479000 
1 1 1   30    0    0 o   43.400   0.7083 -0.000000 0.000000 
1 1 1   30    0    1 o   18.170   0.4854 -0.000000 0.000000 
1 1 1   30    0    2 o   98.350   1.0330 -0.000000 0.000000 
1 1 1   30    0    3 o   91.440   1.1110 -0.000000 0.000000 
1 1 1   30    0    4 o  158.500   1.9080 -0.000000 0.000000 
1 1 1   30    0    5 o  105.600   1.2780 -0.000000 0.000000 
1 1 1   30    0    6 o  138.800   1.6720 -0.000000 0.000000 
1 1 1   30    0    7 o   20.970   0.5178 -0.000000 0.000000 
1 1 1   30    0    8 o   44.040   0.5849 -0.000000 0.000000 
1 1 1   30    0    9 o   10.380   1.1720 -0.000000 0.000000 
1 1 1   30    0   10 o   46.390   0.7533 -0.000000 0.000000 
1 1 1   30    0   11 o   34.010   0.6286 -0.000000 0.000000 
1 1 1   30    0   12 o   58.250   0.8973 -0.000000 0.000000 
1 1 1   30    0   13 f   17.830   0.7227 -0.000000 0.000000 
1 1 1   30    0   14 o   33.210   0.6420 -0.000000 0.000000 
1 1 1   30    0   15 o   22.710   0.6662 -0.000000 0.000000 
1 1 1   30    0   16 o   7.0250   1.7460 -0.000000 0.000000 
1 1 1   30    0   17 o   3.7530   1.6550 -0.000000 0.000000 
1 1 1   30    0   18 o   9.1770   1.3510 -0.000000 0.000000 
1 1 1   30    0   19 o   8.2260   1.5360 -0.000000 0.000000 
1 1 1   30    0   20 o  105.900   1.5860 -0.000000 0.000000 
1 1 1   30    0   21 o   83.970   1.2760 -0.000000 0.000000 
1 1 1   30    0   22 o   38.560   0.7314 -0.000000 0.000000 
1 1 1   30    0   23 o   41.640   0.7875 -0.000000 0.000000 
1 1 1   30    0   24 o   8.4350   3.2210 -0.000000 0.000000 
1 1 1   30    0   25 o   31.080   1.4360 -0.000000 0.000000 
1 1 1   30    0   26 o   9.1230   3.4120 -0.000000 0.000000 
1 1 1   30    0   27 o   46.750   1.4110 -0.000000 0.000000 
1 1 1   30    0   28 f   9.5400   3.5570 -0.000000 0.000000 
1 1 1   30    0   29 o   6.1300   2.8980 -0.000000 0.000000 
1 1 1   30    0   30 o   16.150   3.0670 -0.000000 0.000000 
1 1 1   30    0   31 o   7.7260   3.3980 -0.000000 0.000000 
1 1 1   30    0   32 o   19.190   2.7610 -0.000000 0.000000 
1 1 1   30    0   33 o   7.7240   3.3470 -0.000000 0.000000 
1 1 1   30    0   34 o   11.340   3.6870 -0.000000 0.000000 
1 1 1   30    1    0 o   42.020   0.6987 -0.000000 0.000000 
1 1 1   30    1    1 o   66.860   0.7181 -9.248000 1.436000 
1 1 1   30    1    2 o   94.150   0.9909 8.299000 1.982000 
1 1 1   30    1    3 o   42.630   0.4995 9.072000 0.9989000 
1 1 1   30    1    4 o   98.860   1.0380 -0.9449000 2.075000 
1 1 1   30    1    5 o  132.600   1.3850 2.904000 2.771000 
1 1 1   30    1    6 o  112.200   1.1750 7.521000 2.351000 
1 1 1   30    1    7 o   36.290   0.4116 2.789000 0.8232000 
1 1 1   30    1    8 o   48.770   0.4953 5.154000 0.9906000 
1 1 1   30    1    9 o   42.660   0.4554 -0.9982000 0.9109000 
1 1 1   30    1   10 o   9.9500   0.7607 -2.829000 1.521000 
1 1 1   30    1   11 o   50.870   0.5129 5.366000 1.026000 
1 1 1   30    1   12 o   12.480   0.5953 0.8151000 1.191000 
1 1 1   30    1   13 o   53.940   0.5412 2.849000 1.082000 
1 1 1   30    1   14 o   9.2790   0.7511 -0.3183000 1.502000 
1 1 1   30    1   15 o   34.670   0.3794 3.801000 0.7588000 
1 1 1   30    1   16 o   28.400   0.4074 4.598000 0.8148000 
1 1 1   30    1   17 o   8.7170   0.9270 -3.454000 1.854000 
1 1 1   30    1   18 o   42.050   0.4621 -1.303000 0.9242000 
1 1 1   30    1   19 o   25.990   0.4233 2.055000 0.8466000 
1 1 1   30    1   20 o   29.300   0.4256 -1.666000 0.8511000 
1 1 1   30    1   21 o   6.0280   1.1670 1.876000 2.334000 
1 1 1   30    1   22 o   28.710   0.4749 -2.360000 0.9499000 
1 1 1   30    1   23 o   23.130   0.4511 -1.309000 0.9022000 
1 1 1   30    1   24 o   55.510   0.8338 1.037000 1.668000 
1 1 1   30    1   25 o   13.380   1.6890 -3.333000 3.378000 
1 1 1   30    1   26 o   35.880   1.0170 -4.057000 2.035000 
1 1 1   30    1   27 o   32.710   1.1050 0.9034000 2.210000 
1 1 1   30    1   28 o   25.590   1.3880 0.2966000 2.775000 
1 1 1   30    1   29 o   9.1860   2.5140 -1.899000 5.027000 
1 1 1   30    1   30 o   18.810   1.9360 -1.894000 3.873000 
1 1 1   30    1   31 o   9.6810   2.6330 1.137000 5.267000 
1 1 1   30    1   32 o   18.900   1.9770 3.431000 3.955000 
1 1 1   30    1   33 o   8.7500   2.4310 -3.568000 4.863000 
1 1 1   30    1   34 o   10.490   2.5720 1.834000 5.145000 
1 1 1   30    2    0 o   30.980   0.6062 -0.000000 0.000000 
1 1 1   30    2    1 o   72.080   0.7680 -3.767000 1.536000 
1 1 1   30    2    2 o   69.620   0.7437 -4.380000 1.487000 
1 1 1   30    2    3 o   86.360   0.9116 6.315000 1.823000 
1 1 1   30    2    4 o   22.640   0.4526 -0.7022000 0.9051000 
1 1 1   30    2    5 o   38.660   0.4726 -1.160000 0.9452000 
1 1 1   30    2    6 o   45.170   0.5178 2.529000 1.036000 
1 1 1   30    2    7 o  110.800   1.1610 -3.827000 2.323000 
1 1 1   30    2    8 o   51.330   0.5716 3.595000 1.143000 
1 1 1   30    2    9 f   18.320   0.5002 -2.748000 1.000000 
1 1 1   30    2   10 o   21.980   0.4639 1.466000 0.9278000 
1 1 1   30    2   11 o   11.870   0.7441 -5.131000 1.488000 
1 1 1   30    2   12 o   54.600   0.6033 -2.423000 1.207000 
1 1 1   30    2   13 o   36.430   0.4676 -5.377000 0.9352000 
1 1 1   30    2   14 o   29.510   0.4544 -1.512000 0.9087000 
1 1 1   30    2   15 o   8.0270   1.0830 6.689000 2.166000 
1 1 1   30    2   16 o   25.410   0.4703 -3.473000 0.9406000 
1 1 1   30    2   17 o   26.830   0.4750 -0.1098000 0.9500000 
1 1 1   30    2   18 o   33.940   0.4390 2.360000 0.8779000 
1 1 1   30    2   19 o   52.430   0.6848      ?      ? 
1 1 1   30    2   20 o   50.150   0.5333 -0.8397000 1.067000 
1 1 1   30    2   21 o   46.580   0.4915 -4.350000 0.9830000 
1 1 1   30    2   22 o   40.810   0.4637 -1.932000 0.9273000 
1 1 1   30    2   23 o   55.460   0.7024 -2.305000 1.405000 
1 1 1   30    2   24 o   33.990   0.5426 2.136000 1.085000 
1 1 1   30    2   25 o   24.580   0.5741 -2.867000 1.148000 
1 1 1   30    2   26 o   27.400   0.5532 -1.101000 1.106000 
1 1 1   30    2   27 o   14.150   0.8380 1.290000 1.676000 
1 1 1   30    2   28 o   12.090   1.7860 -3.658000 3.571000 
1 1 1   30    2   29 o   28.710   1.3140 3.999000 2.629000 
1 1 1   30    2   30 o   29.770   1.3030 0.9373000 2.606000 
1 1 1   30    2   31 o   15.810   2.2760 -9.076000 4.552000 
1 1 1   30    2   32 o   6.9390   2.2280 -0.7718000 4.456000 
1 1 1   30    2   33 o   9.0830   2.4690 -1.431000 4.937000 
1 1 1   30    2   34 o   8.1930   2.3250 3.347000 4.651000 
1 1 1   30    3    0 o   34.080   0.6390 -0.000000 0.000000 
1 1 1   30    3    1 o   44.210   0.5181 3.392000 1.036000 
1 1 1   30    3    2 o   81.560   0.8662 -12.02000 1.732000 
1 1 1   30    3    3 o   47.870   0.5451 -1.355000 1.090000 
1 1 1   30    3    4 o   54.320   0.6023 5.940000 1.205000 
1 1 1   30    3    5 o   22.460   0.4778 -3.032000 0.9556000 
1 1 1   30    3    6 o   23.080   0.4632 2.355000 0.9263000 
1 1 1   30    3    7 o   66.680   0.7177 1.074000 1.435000 
1 1 1   30    3    8 o   42.010   0.5069 5.292000 1.014000 
1 1 1   30    3    9 o   78.840   0.8377 -3.550000 1.675000 
1 1 1   30    3   10 o   16.750   0.5698 4.357000 1.140000 
1 1 1   30    3   11 o   74.640   0.7960 -6.332000 1.592000 
1 1 1   30    3   12 o   34.730   0.4659 -0.8662000 0.9318000 
1 1 1   30    3   13 o   67.320   0.7266 -3.761000 1.453000 
1 1 1   30    3   14 o   47.930   0.5547 -0.4830000 1.109000 
1 1 1   30    3   15 o   28.940   0.4758 1.550000 0.9517000 
1 1 1   30    3   16 o   17.010   0.6789 4.631000 1.358000 
1 1 1   30    3   17 o   25.560   0.5217 -8.100000 1.043000 
1 1 1   30    3   18 o   34.020   0.4600 3.569000 0.9200000 
1 1 1   30    3   19 o   40.620   0.4831 -1.818000 0.9662000 
1 1 1   30    3   20 o   62.890   0.6345 3.211000 1.269000 
1 1 1   30    3   21 o   30.910   0.4858 1.539000 0.9717000 
1 1 1   30    3   22 o   42.440   0.5137 2.482000 1.027000 
1 1 1   30    3   23 o   27.350   0.5315 1.529000 1.063000 
1 1 1   30    3   24 o   53.150   0.5593 -3.315000 1.119000 
1 1 1   30    3   25 o   15.560   0.7903 -0.4931000E-01 1.581000 
1 1 1   30    3   26 o   19.460   0.9854      ?      ? 
1 1 1   30    3   27 o   16.580   0.9396 0.8628000 1.879000 
1 1 1   30    3   28 o   17.270   0.9620 -1.911000 1.924000 
1 1 1   30    3   29 o   18.510   1.0750      ?      ? 
1 1 1   30    3   31 o   7.6090   1.6330 3.954000 3.266000 
1 1 1   30    3   32 o   9.1190   1.9000 1.025000 3.800000 
1 1 1   30    3   33 o   8.7290   1.7090 2.809000 3.418000 
1 1 1   30    3   34 o   9.0370   2.4440 1.012000 4.888000 
1 1 1   30    4    0 o   42.030   0.7152 -0.000000 0.000000 
1 1 1   30    4    1 o  103.500   1.0890 5.647000 2.178000 
1 1 1   30    4    2 o   43.950   0.5260 -6.581000 1.052000 
1 1 1   30    4    3 o   86.070   0.9111 -1.801000 1.822000 
1 1 1   30    4    4 o   27.840   0.4612 1.177000 0.9223000 
1 1 1   30    4    5 o   38.960   0.4920 -1.897000 0.9840000 
1 1 1   30    4    6 o   29.680   0.4640 -2.163000 0.9279000 
1 1 1   30    4    7 f   78.690   0.8392 6.595000 1.678000 
1 1 1   30    4    8 o   17.750   0.6102 2.807000 1.220000 
1 1 1   30    4    9 o   23.180   0.5131 -6.153000 1.026000 
1 1 1   30    4   10 o   17.750   0.6102 0.2577000 1.220000 
1 1 1   30    4   11 o   54.350   0.6106 2.103000 1.221000 
1 1 1   30    4   12 o   35.280   0.4951 5.847000 0.9902000 
1 1 1   30    4   13 o   25.780   0.5203 -3.715000 1.041000 
1 1 1   30    4   14 f   18.710   0.6255 -0.8165000 1.251000 
1 1 1   30    4   15 o   19.610   0.6057 1.809000 1.211000 
1 1 1   30    4   16 o   20.960   0.5419 -2.636000 1.084000 
1 1 1   30    4   17 o   30.980   0.4732 3.891000 0.9464000 
1 1 1   30    4   18 o   47.510   0.5275 -3.131000 1.055000 
1 1 1   30    4   19 f   27.320   0.5043 -5.325000 1.009000 
1 1 1   30    4   20 o   39.030   0.4986 -0.9518000 0.9973000 
1 1 1   30    4   21 o   64.680   0.6597 1.498000 1.319000 
1 1 1   30    4   22 o   27.060   0.5744 1.025000 1.149000 
1 1 1   30    4   23 o   19.630   0.7287 0.6840000 1.457000 
1 1 1   30    4   24 o   34.750   0.6270      ?      ? 
1 1 1   30    4   25 o   17.840   0.8057 -1.306000 1.611000 
1 1 1   30    4   26 o   17.900   0.9040 2.529000 1.808000 
1 1 1   30    4   27 o   20.020   0.8194 -2.155000 1.639000 
1 1 1   30    4   28 o   14.720   1.1450 0.7375000 2.289000 
1 1 1   30    4   29 o   29.850   0.7140 0.5198000E-01 1.428000 
1 1 1   30    4   30 o   13.470   1.5050 4.094000 3.010000 
1 1 1   30    4   31 o   7.4980   1.9720 1.733000 3.945000 
1 1 1   30    4   32 o   10.270   1.7720 6.310000 3.543000 
1 1 1   30    4   33 o   21.130   1.0370      ?      ? 
1 1 1   30    4   34 o   11.760   1.7940      ?      ? 
1 1 1   30    5    0 o   16.090   0.9144 -0.000000 0.000000 
1 1 1   30    5    1 o   76.440   0.8188 -5.684000 1.638000 
1 1 1   30    5    2 o   47.740   0.5594 2.730000 1.119000 
1 1 1   30    5    3 o   79.440   0.8473 2.502000 1.695000 
1 1 1   30    5    4 o   48.380   0.5679 4.956000 1.136000 
1 1 1   30    5    5 o   30.290   0.5035 0.6453000 1.007000 
1 1 1   30    5    6 o   68.100   0.7407 3.868000 1.481000 
1 1 1   30    5    7 o   11.780   1.0200 4.712000 2.040000 
1 1 1   30    5    8 o   47.840   0.5680 -1.226000 1.136000 
1 1 1   30    5    9 f   42.880   0.5346 -2.515000 1.069000 
1 1 1   30    5   10 o   32.310   0.7033      ?      ? 
1 1 1   30    5   11 o   62.630   0.6910 -4.607000 1.382000 
1 1 1   30    5   12 o   16.950   0.6964 1.117000 1.393000 
1 1 1   30    5   13 o   12.060   1.4580      ?      ? 
1 1 1   30    5   14 o   47.580   0.5224 5.575000 1.045000 
1 1 1   30    5   15 o   7.8370   1.3860 0.7992000 2.772000 
1 1 1   30    5   16 o   37.240   0.4906 -0.1796000 0.9812000 
1 1 1   30    5   17 f   36.540   0.4878 -3.611000 0.9756000 
1 1 1   30    5   18 o   20.670   0.7577      ?      ? 
1 1 1   30    5   19 o   16.740   0.8601 5.556000 1.720000 
1 1 1   30    5   20 o   23.520   0.6108 0.5993000 1.222000 
1 1 1   30    5   21 o   10.810   1.3020 -0.4210000 2.604000 
1 1 1   30    5   22 o   37.310   0.5483 0.8572000 1.097000 
1 1 1   30    5   23 o   48.800   0.5786 2.153000 1.157000 
1 1 1   30    5   24 o   29.170   0.6085 -0.7961000E-02 1.217000 
1 1 1   30    5   25 o   18.930   0.8648 -0.2762000 1.730000 
1 1 1   30    5   26 o   18.980   0.9464 -2.069000 1.893000 
1 1 1   30    5   27 o   6.8170   1.7400 0.2609000 3.481000 
1 1 1   30    5   28 o   18.970   0.9808 1.475000 1.962000 
1 1 1   30    5   29 o   40.530   0.6131 -2.138000 1.226000 
1 1 1   30    5   30 o   22.220   0.8556 2.537000 1.711000 
1 1 1   30    5   31 o   15.680   0.9714 -5.674000 1.943000 
1 1 1   30    5   32 o   6.7870   1.7260 0.9601000 3.451000 
1 1 1   30    5   33 o   9.3080   2.1160 -7.025000 4.232000 
1 1 1   30    6    0 o   30.300   0.7164 -0.000000 0.000000 
1 1 1   30    6    1 o   54.840   0.6279 -2.876000 1.256000 
1 1 1   30    6    2 o   59.450   0.6661 -4.903000 1.332000 
1 1 1   30    6    3 o   53.850   0.6172 1.261000 1.234000 
1 1 1   30    6    4 o   12.100   1.1070 7.524000 2.214000 
1 1 1   30    6    5 o   54.750   0.6290 -2.887000 1.258000 
1 1 1   30    6    6 o   24.380   0.5672 -2.340000 1.134000 
1 1 1   30    6    7 o   35.890   0.5141 3.057000 1.028000 
1 1 1   30    6    8 o   42.670   0.5413 -0.8299000 1.083000 
1 1 1   30    6    9 o   36.400   0.5278 -3.011000 1.056000 
1 1 1   30    6   10 o   25.860   0.5670 -0.2355000 1.134000 
1 1 1   30    6   11 o   32.070   0.4909 -2.054000 0.9819000 
1 1 1   30    6   12 o   30.100   0.5014 2.790000 1.003000 
1 1 1   30    6   13 o   9.4190   1.3020 3.756000 2.605000 
1 1 1   30    6   14 o   18.800   0.7610 0.6099000 1.522000 
1 1 1   30    6   15 o   15.140   0.8161 1.546000 1.632000 
1 1 1   30    6   16 o   56.980   0.5979 1.259000 1.196000 
1 1 1   30    6   17 o   62.810   0.6461 -1.998000 1.292000 
1 1 1   30    6   18 o   19.190   0.7246 1.206000 1.449000 
1 1 1   30    6   19 o   32.170   0.5396 2.459000 1.079000 
1 1 1   30    6   20 o   21.930   0.6872 0.8250000E-01 1.374000 
1 1 1   30    6   21 o   17.650   0.8435 -1.788000 1.687000 
1 1 1   30    6   22 o   37.520   0.6189 0.6369000E-01 1.238000 
1 1 1   30    6   23 o   14.910   1.2530 4.714000 2.507000 
1 1 1   30    6   24 o   18.050   0.9619 -0.4217000 1.924000 
1 1 1   30    6   25 o   23.550   0.8434 -1.058000 1.687000 
1 1 1   30    6   26 o   13.050   1.4520 2.886000 2.904000 
1 1 1   30    6   27 o   9.7710   1.6240 5.294000 3.247000 
1 1 1   30    6   28 o   24.570   0.7930 -1.584000 1.586000 
1 1 1   30    6   29 o   32.890   0.6751 1.893000 1.350000 
1 1 1   30    6   30 o   18.630   1.0900 2.651000 2.179000 
1 1 1   30    6   31 o   13.450   1.4190 3.338000 2.838000 
1 1 1   30    6   32 o   10.710   1.6280 1.141000 3.256000 
1 1 1   30    6   33 o   16.170   1.7700 1.723000 3.541000 
1 1 1   30    7    0 o   37.000   0.7712 -0.000000 0.000000 
1 1 1   30    7    1 o   13.040   1.1210 -6.110000 2.243000 
1 1 1   30    7    2 o   21.320   0.6564 5.286000 1.313000 
1 1 1   30    7    3 o   52.000   0.6186 2.332000 1.237000 
1 1 1   30    7    4 o   86.890   0.9284 1.574000 1.857000 
1 1 1   30    7    5 o   51.500   0.6119 -4.358000 1.224000 
1 1 1   30    7    6 o   44.860   0.5685 4.410000 1.137000 
1 1 1   30    7    7 o   8.6670   1.4510 0.7007000 2.901000 
1 1 1   30    7    8 o   34.120   0.4833 -0.7452000 0.9667000 
1 1 1   30    7    9 o   6.1170   1.5140 0.3814000 3.029000 
1 1 1   30    7   10 o   6.7060   1.5700 -1.466000 3.140000 
1 1 1   30    7   11 f   33.710   0.5691 1.959000 1.138000 
1 1 1   30    7   12 o   9.9540   1.1620 -10.98000 2.324000 
1 1 1   30    7   13 f   23.910   0.5809 -3.404000 1.162000 
1 1 1   30    7   14 o   13.190   0.9890 -0.7974000 1.978000 
1 1 1   30    7   15 o   25.500   0.5779 -2.764000 1.156000 
1 1 1   30    7   16 o   15.800   0.8748 0.9478000 1.750000 
1 1 1   30    7   17 o   50.470   0.5680 1.769000 1.136000 
1 1 1   30    7   18 o   67.520   0.6898 1.193000 1.380000 
1 1 1   30    7   19 o   28.020   0.6047 -3.730000 1.209000 
1 1 1   30    7   20 o   31.460   0.5844 1.791000 1.169000 
1 1 1   30    7   21 o   20.560   0.7925 -2.680000 1.585000 
1 1 1   30    7   22 o   40.310   0.5770 -0.9382000 1.154000 
1 1 1   30    7   23 o   38.420   0.5893 -3.845000 1.179000 
1 1 1   30    7   24 o   23.960   0.8178 3.403000 1.636000 
1 1 1   30    7   25 o   19.450   1.0620 -1.847000 2.123000 
1 1 1   30    7   26 o   28.920   0.7481 1.648000 1.496000 
1 1 1   30    7   27 o   35.170   0.6770 1.039000 1.354000 
1 1 1   30    7   28 f   33.210   0.6893 -1.128000 1.379000 
1 1 1   30    7   29 o   16.590   1.1840 -7.355000 2.369000 
1 1 1   30    7   30 o   11.200   1.7240 4.673000 3.449000 
1 1 1   30    7   31 o   7.7140   1.8390 1.013000 3.677000 
1 1 1   30    7   32 o   8.3370   1.5870 4.623000 3.173000 
1 1 1   30    7   33 f   8.0560   1.8040 -1.351000 3.608000 
1 1 1   30    8    0 o   71.110   1.1060 -0.000000 0.000000 
1 1 1   30    8    1 o   40.470   0.5663 0.4502000 1.133000 
1 1 1   30    8    2 o   38.130   0.5594 -3.378000 1.119000 
1 1 1   30    8    3 o   28.870   0.5933 8.474000 1.187000 
1 1 1   30    8    4 o   36.620   0.5126 -0.3677000 1.025000 
1 1 1   30    8    5 f   21.560   0.6414 3.402000 1.283000 
1 1 1   30    8    6 o   11.930   1.1050 2.816000 2.210000 
1 1 1   30    8    7 o   16.980   0.7846 0.4683000 1.569000 
1 1 1   30    8    8 o   9.9120   1.3710 2.581000 2.742000 
1 1 1   30    8    9 o   60.460   0.6280 5.329000 1.256000 
1 1 1   30    8   10 f   16.870   0.8070 -1.848000 1.614000 
1 1 1   30    8   11 o   64.330   0.6666 -1.715000 1.333000 
1 1 1   30    8   12 o   40.750   0.5365 0.7167000 1.073000 
1 1 1   30    8   13 o   11.620   1.2560 -4.619000 2.512000 
1 1 1   30    8   14 o   53.250   0.5887 0.4271000 1.177000 
1 1 1   30    8   15 o   20.280   0.7344 3.333000 1.469000 
1 1 1   30    8   16 o   44.800   0.5534 -0.4444000E-01 1.107000 
1 1 1   30    8   17 o   13.570   1.1350 -0.4817000E-01 2.269000 
1 1 1   30    8   18 o   26.970   0.6564 -0.9414000 1.313000 
1 1 1   30    8   19 o   48.470   0.5894 1.454000 1.179000 
1 1 1   30    8   20 f   24.300   0.7420 0.7160000 1.484000 
1 1 1   30    8   21 o   20.630   0.8758 2.191000 1.752000 
1 1 1   30    8   22 o   16.020   1.2890 6.026000 2.578000 
1 1 1   30    8   23 o   11.670   1.7880 -1.885000 3.576000 
1 1 1   30    8   24 o   21.280   1.0020 5.197000 2.003000 
1 1 1   30    8   25 o   22.340   0.9461 1.760000 1.892000 
1 1 1   30    8   26 o   15.860   1.4040 4.479000 2.808000 
1 1 1   30    8   27 o   11.610   1.7690 8.267000 3.539000 
1 1 1   30    8   28 o   15.760   1.4340 -3.798000 2.868000 
1 1 1   30    8   29 o   21.190   0.9989 -1.265000 1.998000 
1 1 1   30    8   30 o   11.170   1.7910 -0.4803000 3.582000 
1 1 1   30    8   31 o   8.4920   2.0200 -3.693000 4.040000 
1 1 1   30    8   32 o   11.080   1.6690 0.3871000 3.337000 
1 1 1   30    9    0 o   50.690   0.7254 -0.000000 0.000000 
1 1 1   30    9    1 o   51.560   0.5818 -2.077000 1.164000 
1 1 1   30    9    2 o   33.640   0.5444 2.144000 1.089000 
1 1 1   30    9    3 o   37.030   0.5365 -0.4420000 1.073000 
1 1 1   30    9    4 o   18.280   0.7825 1.876000 1.565000 
1 1 1   30    9    5 o   16.480   0.8711 1.105000 1.742000 
1 1 1   30    9    6 o   13.830   1.0140 0.5963000 2.027000 
1 1 1   30    9    7 o   42.100   0.5370 -0.8465000 1.074000 
1 1 1   30    9    8 o   33.710   0.5443 -1.474000 1.089000 
1 1 1   30    9    9 o   22.840   0.6593 -1.640000 1.319000 
1 1 1   30    9   10 o   18.980   0.7768 -1.344000 1.554000 
1 1 1   30    9   11 o   26.050   0.6323 -0.4346000 1.265000 
1 1 1   30    9   12 o   47.270   0.5715 -1.394000 1.143000 
1 1 1   30    9   13 o   23.040   0.7022 -4.858000 1.404000 
1 1 1   30    9   14 o   38.140   0.5603 1.799000 1.121000 
1 1 1   30    9   15 o   39.360   0.5628 0.3975000 1.126000 
1 1 1   30    9   16 o   41.160   0.6246 4.277000 1.249000 
1 1 1   30    9   17 o   31.090   0.6877 1.539000 1.375000 
1 1 1   30    9   18 o   33.700   0.6126 -0.5456000 1.225000 
1 1 1   30    9   19 o   14.310   1.2490 3.709000 2.497000 
1 1 1   30    9   20 o   19.290   0.8366 0.5481000 1.673000 
1 1 1   30    9   21 o   14.930   1.1010 1.842000 2.202000 
1 1 1   30    9   22 o   18.190   0.9205 1.085000 1.841000 
1 1 1   30    9   23 f   43.150   0.5678 -2.966000 1.136000 
1 1 1   30    9   24 o   15.470   1.1550 0.1836000E-01 2.309000 
1 1 1   30    9   25 o   24.300   0.8811 0.5414000 1.762000 
1 1 1   30    9   26 o   15.640   1.1410 -1.446000 2.281000 
1 1 1   30    9   27 o   20.800   1.0610 6.344000 2.123000 
1 1 1   30    9   28 o   17.440   1.0240 4.585000 2.049000 
1 1 1   30    9   29 o   12.690   1.3310 -0.4107000 2.661000 
1 1 1   30    9   30 o   13.020   1.6420 4.402000 3.284000 
1 1 1   30    9   31 o   6.3760   1.8000 0.8905000 3.600000 
1 1 1   30    9   32 o   9.8940   1.6300 6.607000 3.259000 
1 1 1   30   10    0 o   78.550   0.9973 -0.000000 0.000000 
1 1 1   30   10    1 o   38.970   0.5074 -2.335000 1.015000 
1 1 1   30   10    2 o   21.690   0.6756 -4.489000 1.351000 
1 1 1   30   10    3 o   37.490   0.5104 0.6287000 1.021000 
1 1 1   30   10    4 o   18.680   0.7761 2.434000 1.552000 
1 1 1   30   10    5 o   20.990   0.7067 -1.439000 1.413000 
1 1 1   30   10    6 o   6.2140   1.6970 0.4929000 3.394000 
1 1 1   30   10    7 o   41.990   0.5676 1.988000 1.135000 
1 1 1   30   10    8 o   23.920   0.6863 0.2387000 1.373000 
1 1 1   30   10    9 o   34.490   0.5835 1.744000 1.167000 
1 1 1   30   10   10 o   19.360   0.8254 -3.312000 1.651000 
1 1 1   30   10   11 o   22.630   0.6683 0.1321000 1.337000 
1 1 1   30   10   12 o   60.910   0.5857 -0.3326000 1.171000 
1 1 1   30   10   13 o   37.060   0.6008 -0.6909000 1.202000 
1 1 1   30   10   14 o   15.030   1.0140 3.842000 2.027000 
1 1 1   30   10   15 o   19.880   0.9462 0.4475000 1.892000 
1 1 1   30   10   16 o   15.270   1.0250 2.453000 2.049000 
1 1 1   30   10   17 o   21.450   0.7754 -2.200000 1.551000 
1 1 1   30   10   18 o   18.710   1.0390 1.500000 2.077000 
1 1 1   30   10   19 o   31.230   0.6134 -2.038000 1.227000 
1 1 1   30   10   20 o   17.020   1.0430 2.582000 2.086000 
1 1 1   30   10   21 f   17.010   1.0820 3.920000 2.164000 
1 1 1   30   10   22 o   32.440   0.6537 -3.712000 1.307000 
1 1 1   30   10   23 o   13.890   1.3820 -0.5455000 2.765000 
1 1 1   30   10   24 o   6.8970   1.7300 4.902000 3.461000 
1 1 1   30   10   25 o   13.860   1.4170 0.2051000 2.834000 
1 1 1   30   10   26 o   15.160   1.2970 -1.676000 2.594000 
1 1 1   30   10   27 f   22.340   0.8702 1.770000 1.740000 
1 1 1   30   10   28 o   6.4000   1.8130 -1.189000 3.625000 
1 1 1   30   10   29 o   7.5290   1.8480 -1.192000 3.695000 
1 1 1   30   10   30 o   5.7140   1.6880 -1.435000 3.376000 
1 1 1   30   10   31 o   6.1440   1.7080 1.539000 3.417000 
1 1 1   30   11    0 o   47.530   0.7548 -0.000000 0.000000 
1 1 1   30   11    1 o   24.340   0.6777 4.750000 1.355000 
1 1 1   30   11    2 o   10.700   1.4240 1.668000 2.847000 
1 1 1   30   11    3 o   73.690   0.6782 1.738000 1.356000 
1 1 1   30   11    4 o   14.050   1.0860 1.226000 2.171000 
1 1 1   30   11    5 o   27.650   0.6304 2.685000 1.261000 
1 1 1   30   11    6 o   18.860   0.8363 -2.991000 1.673000 
1 1 1   30   11    7 o   25.060   0.6122 -0.2160000 1.224000 
1 1 1   30   11    8 o   14.980   0.9500 2.424000 1.900000 
1 1 1   30   11    9 o   27.190   0.5810 -0.8880000 1.162000 
1 1 1   30   11   10 o   18.550   0.7805 2.680000 1.561000 
1 1 1   30   11   11 o   9.8070   1.4330 -8.218000 2.867000 
1 1 1   30   11   12 f   33.540   0.5429 -0.7250000 1.086000 
1 1 1   30   11   13 o   27.270   0.6438 3.469000 1.288000 
1 1 1   30   11   14 o   17.350   0.9764 2.023000 1.953000 
1 1 1   30   11   15 o   17.980   0.9527 0.6107000 1.905000 
1 1 1   30   11   16 o   17.570   0.9747 -0.3789000 1.949000 
1 1 1   30   11   17 o   7.5410   1.9850 2.080000 3.969000 
1 1 1   30   11   18 o   16.300   1.3050 3.578000 2.610000 
1 1 1   30   11   19 o   26.370   0.7555 -1.042000 1.511000 
1 1 1   30   11   20 o   12.350   1.5800 2.310000 3.161000 
1 1 1   30   11   21 f   18.970   1.0680 -3.241000 2.136000 
1 1 1   30   11   22 o   20.080   1.0320 0.9017000 2.063000 
1 1 1   30   11   23 o   14.340   1.7530 5.110000 3.505000 
1 1 1   30   11   24 o   16.270   1.2970 1.280000 2.594000 
1 1 1   30   11   25 o   17.800   1.1800 3.294000 2.359000 
1 1 1   30   11   26 o   13.030   1.6300 4.433000 3.259000 
1 1 1   30   11   27 o   13.050   1.5820 0.9864000E-01 3.163000 
1 1 1   30   11   28 o   6.0790   1.7890 2.420000 3.578000 
1 1 1   30   11   29 o   14.000   1.3980 -0.9835000 2.796000 
1 1 1   30   11   30 o   6.7750   1.8340 -0.8478000 3.667000 
1 1 1   30   12    0 o   51.590   0.7959 -0.000000 0.000000 
1 1 1   30   12    1 o   16.260   1.0370 0.3891000 2.074000 
1 1 1   30   12    2 o   26.950   0.6871 5.500000 1.374000 
1 1 1   30   12    3 o   34.630   0.5766 -2.925000 1.153000 
1 1 1   30   12    4 o   32.550   0.5543 7.647000 1.109000 
1 1 1   30   12    5 o   37.480   0.5292 0.4698000 1.058000 
1 1 1   30   12    6 o   30.120   0.5802 0.9315000 1.160000 
1 1 1   30   12    7 o   19.940   0.7944 0.4667000 1.589000 
1 1 1   30   12    8 o   37.920   0.5228 0.4904000 1.046000 
1 1 1   30   12    9 f   39.280   0.5277 -3.184000 1.055000 
1 1 1   30   12   10 o   30.570   0.5823 0.1277000 1.165000 
1 1 1   30   12   11 o   43.170   0.5342 -0.9637000 1.068000 
1 1 1   30   12   12 o   36.470   0.5628 2.258000 1.126000 
1 1 1   30   12   13 o   21.570   0.8025 0.5746000 1.605000 
1 1 1   30   12   14 o   36.790   0.5743 -0.2696000 1.149000 
1 1 1   30   12   15 o   22.700   0.8119 4.216000 1.624000 
1 1 1   30   12   16 o   24.140   0.7690 2.508000 1.538000 
1 1 1   30   12   17 o   24.710   0.7786 3.673000 1.557000 
1 1 1   30   12   18 o   20.540   0.9398 1.476000 1.880000 
1 1 1   30   12   19 o   5.8500   1.7810 1.851000 3.562000 
1 1 1   30   12   20 o   15.420   1.3860 -3.389000 2.772000 
1 1 1   30   12   21 o   32.710   0.6898 -0.5921000 1.380000 
1 1 1   30   12   22 o   5.5570   1.7660 0.9630000 3.531000 
1 1 1   30   12   23 f   14.940   1.4110 0.4767000 2.822000 
1 1 1   30   12   24 o   25.530   0.8461 -1.238000 1.692000 
1 1 1   30   12   25 o   7.5650   1.9370 3.216000 3.875000 
1 1 1   30   12   26 o   9.8920   1.8750 3.706000 3.749000 
1 1 1   30   12   27 o   10.720   1.8350 0.3409000 3.670000 
1 1 1   30   12   28 f   14.280   1.3920 -1.306000 2.783000 
1 1 1   30   12   29 o   7.5820   1.8870 2.210000 3.774000 
1 1 1   30   12   30 o   5.4640   2.5040      ?      ? 
1 1 1   30   13    0 o   34.050   0.8750 -0.000000 0.000000 
1 1 1   30   13    1 o   30.090   0.6114 -1.087000 1.223000 
1 1 1   30   13    2 o   14.580   1.3170 -6.936000 2.634000 
1 1 1   30   13    3 o   30.590   0.6091 1.644000 1.218000 
1 1 1   30   13    4 o   48.100   0.5449 -0.6009000 1.090000 
1 1 1   30   13    5 o   19.160   0.8839 0.5550000 1.768000 
1 1 1   30   13    6 o   7.3770   1.6530 -3.813000 3.306000 
1 1 1   30   13    7 o   8.9970   1.7420 3.437000 3.484000 
1 1 1   30   13    8 o   28.020   0.6671 -1.739000 1.334000 
1 1 1   30   13    9 o   13.340   1.3200 -0.1701000 2.640000 
1 1 1   30   13   10 o   19.430   0.8901 1.449000 1.780000 
1 1 1   30   13   11 o   44.080   0.5566 -3.158000 1.113000 
1 1 1   30   13   12 o   33.040   0.6205 -0.6256000E-01 1.241000 
1 1 1   30   13   13 o   24.360   0.7764 1.932000 1.553000 
1 1 1   30   13   14 f   22.070   0.8536 1.000000 1.707000 
1 1 1   30   13   15 o   17.010   1.1240 -0.7554000E-01 2.247000 
1 1 1   30   13   16 o   21.620   0.9047 2.952000 1.809000 
1 1 1   30   13   17 o   14.430   1.3910 3.808000 2.782000 
1 1 1   30   13   18 o   10.530   1.8520 -3.133000 3.704000 
1 1 1   30   13   19 f   20.570   1.0330 2.237000 2.065000 
1 1 1   30   13   20 o   23.660   0.9411 0.8324000E-01 1.882000 
1 1 1   30   13   21 f   26.700   0.8550 -1.973000 1.710000 
1 1 1   30   13   22 o   8.5960   2.0560 -0.1521000 4.112000 
1 1 1   30   13   23 o   17.880   1.2250 -0.8035000 2.451000 
1 1 1   30   13   24 f   13.230   1.7010 -4.023000 3.402000 
1 1 1   30   13   25 o   12.370   1.7690 -2.763000 3.538000 
1 1 1   30   13   26 o   10.090   1.9320 -2.174000 3.864000 
1 1 1   30   13   27 o   9.9540   1.7140 7.842000 3.427000 
1 1 1   30   13   28 o   9.4420   1.9100 3.940000 3.819000 
1 1 1   30   13   29 o   8.5340   1.9650 -1.250000 3.930000 
1 1 1   30   14    0 o   14.710   1.5990 -0.000000 0.000000 
1 1 1   30   14    1 o   28.390   0.6278 -1.899000 1.256000 
1 1 1   30   14    2 o   27.400   0.6968 3.634000 1.394000 
1 1 1   30   14    3 o   17.830   1.0420 -1.527000 2.083000 
1 1 1   30   14    4 o   17.470   1.0590 -0.4581000 2.117000 
1 1 1   30   14    5 o   40.980   0.5750 -0.7835000 1.150000 
1 1 1   30   14    6 o   42.230   0.5736 1.027000 1.147000 
1 1 1   30   14    7 o   18.930   0.9969 -2.426000 1.994000 
1 1 1   30   14    8 o   37.110   0.5979 -1.225000 1.196000 
1 1 1   30   14    9 o   9.1320   1.8760 1.750000 3.753000 
1 1 1   30   14   10 o   41.280   0.5823 1.837000 1.165000 
1 1 1   30   14   11 o   12.790   1.5320 3.066000 3.063000 
1 1 1   30   14   12 o   17.260   1.1250 3.559000 2.250000 
1 1 1   30   14   13 o   26.520   0.7939 -0.7381000 1.588000 
1 1 1   30   14   14 o   26.530   0.8064 -2.466000 1.613000 
1 1 1   30   14   15 o   15.810   1.2800 2.076000 2.560000 
1 1 1   30   14   16 o   30.570   0.7203 2.152000 1.441000 
1 1 1   30   14   17 o   22.280   0.9917 -0.6170000 1.983000 
1 1 1   30   14   18 o   6.2720   1.8760 -1.135000 3.752000 
1 1 1   30   14   19 o   18.770   1.2190 -1.132000 2.438000 
1 1 1   30   14   20 o   15.020   1.5840 -2.406000 3.169000 
1 1 1   30   14   21 f   19.030   1.1920 -0.2678000 2.384000 
1 1 1   30   14   22 o   14.630   1.5850 -0.3012000 3.171000 
1 1 1   30   14   23 o   11.490   1.8960 -4.492000 3.791000 
1 1 1   30   14   24 o   16.550   1.3530 1.137000 2.705000 
1 1 1   30   14   25 o   8.6740   1.8490 6.012000 3.698000 
1 1 1   30   14   26 o   9.4420   2.1380 5.168000 4.276000 
1 1 1   30   14   27 o   8.3220   1.9460 3.384000 3.893000 
1 1 1   30   14   28 o   8.6410   2.0160 -0.3239000 4.033000 
1 1 1   30   15    0 o   6.0430   2.4890 -0.000000 0.000000 
1 1 1   30   15    1 o   29.330   0.6511 -2.268000 1.302000 
1 1 1   30   15    2 o   49.570   0.5331 -2.977000 1.066000 
1 1 1   30   15    3 o   21.700   0.8377 -2.449000 1.675000 
1 1 1   30   15    4 o   15.260   1.2990 -0.8936000 2.598000 
1 1 1   30   15    5 o   11.760   1.7130 1.605000 3.426000 
1 1 1   30   15    6 o   9.6420   1.7120 7.222000 3.423000 
1 1 1   30   15    7 o   31.820   0.6833 0.6633000 1.367000 
1 1 1   30   15    8 o   35.160   0.6550 1.624000 1.310000 
1 1 1   30   15    9 o   29.490   0.7417 -0.4952000 1.483000 
1 1 1   30   15   10 o   11.880   1.7490 3.094000 3.498000 
1 1 1   30   15   11 o   19.210   1.1020 -1.336000 2.205000 
1 1 1   30   15   12 o   12.320   1.7370 -0.5564000 3.473000 
1 1 1   30   15   13 o   17.860   1.2170 -0.8625000 2.433000 
1 1 1   30   15   14 o   12.600   1.7780 1.084000 3.557000 
1 1 1   30   15   15 o   6.5680   1.9460 -0.2755000 3.891000 
1 1 1   30   15   16 o   11.440   1.9260 3.730000 3.853000 
1 1 1   30   15   17 o   23.150   1.0040 4.390000 2.009000 
1 1 1   30   15   18 o   23.420   1.0210 -0.5027000E-01 2.043000 
1 1 1   30   15   19 f   15.880   1.5120 3.182000 3.024000 
1 1 1   30   15   20 o   12.850   1.8620 -2.297000 3.725000 
1 1 1   30   15   21 o   7.1350   2.0490 1.176000 4.098000 
1 1 1   30   15   22 o   7.4070   1.9240 -3.953000 3.848000 
1 1 1   30   15   23 o   5.8650   1.8480 0.8431000E-01 3.697000 
1 1 1   30   15   24 o   8.8210   2.0720 2.432000 4.145000 
1 1 1   30   15   25 o   9.4260   2.0590 -0.1556000 4.119000 
1 1 1   30   15   26 o   9.4160   2.0360 -0.8585000 4.071000 
1 1 1   30   15   27 o   9.8350   2.2960 1.907000 4.593000 
1 1 1   30   16    0 o   6.2930   2.5990 -0.000000 0.000000 
1 1 1   30   16    1 o   35.900   0.6046 1.319000 1.209000 
1 1 1   30   16    2 o   30.270   0.6808 2.267000 1.362000 
1 1 1   30   16    3 o   24.440   0.8123 1.345000 1.625000 
1 1 1   30   16    4 o   32.380   0.6473 1.026000 1.295000 
1 1 1   30   16    5 o   10.090   1.7340 5.943000 3.468000 
1 1 1   30   16    6 o   19.670   1.0910 3.694000 2.181000 
1 1 1   30   16    7 o   25.230   0.8935 -0.1157000 1.787000 
1 1 1   30   16    8 o   19.210   1.1530 -1.857000 2.307000 
1 1 1   30   16    9 o   18.440   1.1940 0.5472000 2.387000 
1 1 1   30   16   10 o   27.960   0.8268 0.7274000 1.654000 
1 1 1   30   16   11 o   7.2500   2.0140 2.226000 4.028000 
1 1 1   30   16   12 o   10.880   1.8130 -6.872000 3.626000 
1 1 1   30   16   13 o   19.760   1.1620 0.8394000 2.324000 
1 1 1   30   16   14 o   24.220   1.0070 -2.184000 2.014000 
1 1 1   30   16   15 o   12.460   1.9320 1.795000 3.864000 
1 1 1   30   16   16 o   15.450   1.6220 -1.242000 3.243000 
1 1 1   30   16   17 o   10.290   2.1440 -0.1582000 4.287000 
1 1 1   30   16   18 o   15.820   1.5630 2.737000 3.126000 
1 1 1   30   16   19 o   6.8370   2.0080 2.764000 4.017000 
1 1 1   30   16   20 o   15.500   1.5670 0.9720000 3.134000 
1 1 1   30   16   21 o   6.5990   1.9880 0.9420000 3.975000 
1 1 1   30   16   22 f   6.0480   1.8970 0.6728000 3.795000 
1 1 1   30   16   23 o   15.070   1.5640 1.918000 3.129000 
1 1 1   30   16   24 o   7.9800   2.0960 0.4022000 4.192000 
1 1 1   30   16   25 o   7.0400   1.9710 2.568000 3.942000 
1 1 1   30   17    0 o   15.300   1.8820 -0.000000 0.000000 
1 1 1   30   17    1 o   15.760   1.3260 -0.4064000 2.651000 
1 1 1   30   17    2 o   14.390   1.4720 -2.130000 2.943000 
1 1 1   30   17    3 o   31.650   0.7035 0.7893000 1.407000 
1 1 1   30   17    4 o   32.510   0.7039 -0.4987000 1.408000 
1 1 1   30   17    5 o   35.780   0.6608 2.194000 1.322000 
1 1 1   30   17    6 o   26.510   0.8142 -1.038000 1.628000 
1 1 1   30   17    7 o   7.9720   2.0050 -2.318000 4.010000 
1 1 1   30   17    8 o   24.710   0.9663 2.903000 1.933000 
1 1 1   30   17    9 o   17.020   1.5340 -5.981000 3.068000 
1 1 1   30   17   10 o   11.730   1.9820 0.1754000 3.963000 
1 1 1   30   17   11 o   12.310   1.9950 6.105000 3.990000 
1 1 1   30   17   12 o   25.830   0.9823 2.750000 1.965000 
1 1 1   30   17   13 o   23.160   1.0760 -0.4116000 2.151000 
1 1 1   30   17   14 o   7.5060   2.1300 0.7501000 4.259000 
1 1 1   30   17   15 o   13.840   1.8100 4.433000 3.621000 
1 1 1   30   17   16 o   14.590   1.8230 -2.461000 3.646000 
1 1 1   30   17   17 o   8.1890   2.1520 1.845000 4.303000 
1 1 1   30   17   18 o   7.3220   2.0530 -1.259000 4.105000 
1 1 1   30   17   19 o   7.5170   2.0380 3.633000 4.075000 
1 1 1   30   17   20 o   13.400   1.8200 1.919000 3.640000 
1 1 1   30   17   21 o   7.0640   1.9540 -3.132000 3.908000 
1 1 1   30   17   22 o   9.3390   2.1360 2.675000 4.272000 
1 1 1   30   17   23 o   11.410   1.9620 3.920000 3.925000 
1 1 1   30   17   24 o   8.3700   1.9930 -3.291000 3.986000 
1 1 1   30   18    0 o   18.610   1.7020 -0.000000 0.000000 
1 1 1   30   18    1 o   13.490   1.7310 -4.112000 3.461000 
1 1 1   30   18    2 o   18.990   1.1760 -1.623000 2.351000 
1 1 1   30   18    3 o   5.9260   1.8530 0.9869000E-01 3.706000 
1 1 1   30   18    4 o   20.100   1.1200 0.3190000 2.240000 
1 1 1   30   18    5 o   17.320   1.4750 -8.489000 2.951000 
1 1 1   30   18    6 o   26.950   0.8770 -0.9493000 1.754000 
1 1 1   30   18    7 o   16.240   1.4520 3.048000 2.905000 
1 1 1   30   18    8 o   13.440   1.7630 0.2289000 3.526000 
1 1 1   30   18    9 o   19.660   1.2680 0.8337000 2.536000 
1 1 1   30   18   10 o   13.040   1.9350 -3.272000 3.871000 
1 1 1   30   18   11 o   6.1060   1.9310 2.053000 3.861000 
1 1 1   30   18   12 o   8.8990   2.1970 3.167000 4.394000 
1 1 1   30   18   13 o   13.630   1.8760 1.691000 3.752000 
1 1 1   30   18   14 o   11.100   2.1190 -2.317000 4.238000 
1 1 1   30   18   15 o   11.350   1.9610 7.790000 3.922000 
1 1 1   30   18   16 o   8.8010   2.1960 2.128000 4.393000 
1 1 1   30   18   17 o   12.770   1.9360 4.749000 3.872000 
1 1 1   30   18   18 o   11.850   1.9530 6.294000 3.906000 
1 1 1   30   18   19 o   11.160   2.1050 -0.1597000E-01 4.210000 
1 1 1   30   18   20 f   9.9250   2.1000 4.006000 4.199000 
1 1 1   30   18   21 f   5.8630   1.8720 0.4884000 3.743000 
1 1 1   30   18   22 o   6.4270   1.9400 -0.6125000 3.881000 
1 1 1   30   19    0 o   18.500   1.7640 -0.000000 0.000000 
1 1 1   30   19    1 o   9.2170   2.1490 2.002000 4.298000 
1 1 1   30   19    2 o   12.650   1.8710 -6.432000 3.741000 
1 1 1   30   19    3 o   10.200   2.1000 -1.979000 4.200000 
1 1 1   30   19    4 o   26.490   0.9322 -4.245000 1.864000 
1 1 1   30   19    5 o   6.5580   1.9470 -2.570000 3.895000 
1 1 1   30   19    6 o   21.950   1.1060 -1.741000 2.212000 
1 1 1   30   19    7 o   13.050   1.8650 -3.821000 3.731000 
1 1 1   30   19    8 o   18.430   1.3280 -1.673000 2.656000 
1 1 1   30   19    9 o   15.320   1.6150 1.502000 3.231000 
1 1 1   30   19   10 o   9.3760   2.0960 3.168000 4.192000 
1 1 1   30   19   11 o   8.4150   2.1900 -1.123000 4.381000 
1 1 1   30   19   12 o   9.1710   2.2350 1.725000 4.471000 
1 1 1   30   19   13 o   6.0450   1.9260 1.636000 3.852000 
1 1 1   30   19   14 o   6.2640   1.9410 -0.9251000 3.883000 
1 1 1   30   19   15 o   8.6390   2.2220 1.346000 4.444000 
1 1 1   30   19   16 o   11.140   1.9800 7.267000 3.960000 
1 1 1   30   19   17 o   8.5290   2.1970 -0.1917000 4.394000 
1 1 1   30   19   18 f   10.270   2.0110 6.599000 4.022000 
1 1 1   30   19   19 o   7.1230   2.0610 -0.5164000 4.121000 
1 1 1   30   19   20 o   7.3490   2.0600 2.747000 4.119000 
1 1 1   30   19   21 o   7.5760   2.0810 -1.257000 4.161000 
1 1 1   30   20    0 o   13.920   2.5570 -0.000000 0.000000 
1 1 1   30   20    1 o   12.550   1.9540 -0.9463000 3.909000 
1 1 1   30   20    2 o   9.0600   2.1810 -1.344000 4.363000 
1 1 1   30   20    3 o   17.900   1.4110 4.255000 2.823000 
1 1 1   30   20    4 o   17.410   1.4180 0.1803000E-01 2.837000 
1 1 1   30   20    5 o   14.970   1.6980 -4.615000 3.396000 
1 1 1   30   20    6 o   17.640   1.3990 -2.254000 2.799000 
1 1 1   30   20    7 o   19.970   1.2250 0.5760000 2.451000 
1 1 1   30   20    8 f   9.0610   2.1730 -1.490000 4.345000 
1 1 1   30   20    9 o   7.6490   2.1320 0.7858000 4.263000 
1 1 1   30   20   10 o   12.130   1.9960 -1.281000 3.992000 
1 1 1   30   20   11 o   7.9880   2.1220 1.300000 4.244000 
1 1 1   30   20   12 o   9.8750   2.1940 -1.042000 4.387000 
1 1 1   30   20   13 o   6.1220   1.9360 0.7528000 3.871000 
1 1 1   30   20   14 o   7.0540   2.0710 2.583000 4.141000 
1 1 1   30   20   15 o   7.3490   2.1130 2.420000 4.227000 
1 1 1   30   20   16 o   7.2130   2.0860 1.773000 4.171000 
1 1 1   30   20   17 o   6.9650   2.0390 2.214000 4.078000 
1 1 1   30   20   18 f   6.8270   2.0070 2.398000 4.013000 
1 1 1   30   20   19 o   7.5620   2.0190 -2.666000 4.037000 
1 1 1   30   21    0 o   6.8200   2.9060 -0.000000 0.000000 
1 1 1   30   21    1 o   8.7390   2.1280 -3.744000 4.256000 
1 1 1   30   21    2 o   7.4610   2.1320 -0.7459000 4.263000 
1 1 1   30   21    3 o   6.8660   2.0650 -0.4529000 4.131000 
1 1 1   30   21    4 o   14.720   1.7610 -3.014000 3.522000 
1 1 1   30   21    5 o   20.620   1.2250 -2.272000 2.450000 
1 1 1   30   21    6 o   10.170   2.1620 -1.759000 4.324000 
1 1 1   30   21    7 o   8.8240   2.1420 2.599000 4.283000 
1 1 1   30   21    8 o   7.5880   2.1040 -1.703000 4.207000 
1 1 1   30   21    9 o   7.4810   2.1050 -0.6805000 4.210000 
1 1 1   30   21   10 o   7.0980   1.9970 -2.833000 3.994000 
1 1 1   30   21   11 o   5.5470   1.8030 -0.4017000 3.607000 
1 1 1   30   21   12 o   12.450   1.8970 -3.443000 3.794000 
1 1 1   30   21   13 o   7.2840   2.1100 1.125000 4.220000 
1 1 1   30   21   14 o   9.6740   2.0540 -4.010000 4.107000 
1 1 1   30   21   15 o   6.9050   1.9310 5.240000 3.862000 
1 1 1   30   21   16 o   6.2910   1.9540 1.861000 3.908000 
1 1 1   30   22    0 o   6.4390   2.8050 -0.000000 0.000000 
1 1 1   30   22    1 f   7.5050   2.1270 -0.5376000 4.254000 
1 1 1   30   22    2 o   7.4680   2.0640 3.087000 4.128000 
1 1 1   30   22    3 o   6.6030   1.9920 -1.647000 3.984000 
1 1 1   30   22    4 o   10.930   2.1870 2.097000 4.373000 
1 1 1   30   22    5 o   7.8560   2.0170 -4.082000 4.033000 
1 1 1   30   22    6 o   5.3240   1.7630 0.5364000 3.525000 
1 1 1   30   22    7 o   10.570   2.0840 2.603000 4.168000 
1 1 1   30   22    8 o   11.350   1.9930 2.891000 3.985000 
1 1 1   30   22    9 o   6.9490   2.0210 0.4808000 4.041000 
1 1 1   30   22   10 f   4.8510   1.6380 -0.7168000 3.275000 
1 1 1   30   22   11 o   6.0940   1.8840 0.7284000 3.769000 
1 1 1   30   22   12 o   6.7060   1.9540 -0.3354000 3.907000 
1 1 1   30   22   13 o   8.6200   2.0010 -2.506000 4.001000 
1 1 1   30   23    0 o   10.500   3.0880 -0.000000 0.000000 
1 1 1   30   23    1 o   9.1900   2.1890 -1.502000 4.377000 
1 1 1   30   23    2 o   7.3170   2.0980 -0.5017000 4.195000 
1 1 1   30   23    3 o   6.6810   1.9740 2.658000 3.949000 
1 1 1   30   23    4 o   7.5910   2.0500 -2.982000 4.099000 
1 1 1   30   23    5 o   9.1070   1.9700 5.842000 3.941000 
1 1 1   30   23    6 o   10.120   2.0520 3.725000 4.104000 
1 1 1   30   23    7 o   8.2290   2.0280 3.472000 4.056000 
1 1 1   30   23    8 o   5.9420   1.8300 2.217000 3.661000 
1 1 1   30   23    9 o   7.8360   1.8090 -5.648000 3.617000 
1 1 1   30   24    0 o   11.780   3.7270 -0.000000 0.000000 
1 1 1   31    0    1 o   67.260   0.7198 -0.000000 0.000000 
1 1 1   31    0    2 o   34.220   0.5146 -0.000000 0.000000 
1 1 1   31    0    3 o  131.800   1.5910 -0.000000 0.000000 
1 1 1   31    0    4 o   68.470   0.8457 -0.000000 0.000000 
1 1 1   31    0    5 o   26.980   0.4930 -0.000000 0.000000 
1 1 1   31    0    6 o   78.640   0.9615 -0.000000 0.000000 
1 1 1   31    0    7 o   34.880   0.5172 -0.000000 0.000000 
1 1 1   31    0    8 o   42.770   0.5741 -0.000000 0.000000 
1 1 1   31    0    9 o   25.050   0.6359 -0.000000 0.000000 
1 1 1   31    0   10 o   12.410   1.0110 -0.000000 0.000000 
1 1 1   31    0   11 o   8.8000   1.4230 -0.000000 0.000000 
1 1 1   31    0   12 o   32.650   0.6282 -0.000000 0.000000 
1 1 1   31    0   13 o   34.280   0.6509 -0.000000 0.000000 
1 1 1   31    0   14 f   8.5770   1.4460 -0.000000 0.000000 
1 1 1   31    0   15 o   24.010   0.6687 -0.000000 0.000000 
1 1 1   31    0   16 o   41.700   0.7182 -0.000000 0.000000 
1 1 1   31    0   17 o   35.470   0.6733 -0.000000 0.000000 
1 1 1   31    0   18 o   78.240   1.1810 -0.000000 0.000000 
1 1 1   31    0   19 o   54.370   0.8678 -0.000000 0.000000 
1 1 1   31    0   20 o   13.240   1.0410 -0.000000 0.000000 
1 1 1   31    0   21 o   11.530   1.1390 -0.000000 0.000000 
1 1 1   31    0   23 o   60.630   0.9779 -0.000000 0.000000 
1 1 1   31    0   24 o   9.5290   1.2920 -0.000000 0.000000 
1 1 1   31    0   25 o   22.590   1.8750 -0.000000 0.000000 
1 1 1   31    0   26 o   41.010   1.4150 -0.000000 0.000000 
1 1 1   31    0   27 o   19.770   2.3450 -0.000000 0.000000 
1 1 1   31    0   28 o   10.970   3.6730 -0.000000 0.000000 
1 1 1   31    0   29 o   8.9580   3.5620 -0.000000 0.000000 
1 1 1   31    0   30 o   26.810   1.9980 -0.000000 0.000000 
1 1 1   31    0   31 o   7.9240   3.4110 -0.000000 0.000000 
1 1 1   31    0   32 o   9.8980   3.6540 -0.000000 0.000000 
1 1 1   31    0   33 o   8.6820   3.4540 -0.000000 0.000000 
1 1 1   31    0   34 f   11.490   3.5650 -0.000000 0.000000 
1 1 1   31    1    0 o   67.260   1.0220 -0.000000 0.000000 
1 1 1   31    1    1 o   62.190   0.6727 -1.993000 1.345000 
1 1 1   31    1    2 o   36.310   0.4599 1.525000 0.9197000 
1 1 1   31    1    3 o   94.800   0.9966 0.8995000E-02 1.993000 
1 1 1   31    1    4 o   57.170   0.6246 -5.127000 1.249000 
1 1 1   31    1    5 o   84.990   0.8972 -3.628000 1.794000 
1 1 1   31    1    6 o   19.300   0.4877 0.6070000 0.9754000 
1 1 1   31    1    7 o   60.990   0.6037 -2.935000 1.207000 
1 1 1   31    1    8 o   57.800   0.5708 3.436000 1.142000 
1 1 1   31    1    9 o   69.130   0.6739 0.3778000 1.348000 
1 1 1   31    1   10 o   29.740   0.3983 0.6106000 0.7966000 
1 1 1   31    1   11 f   25.610   0.4104 3.166000 0.8207000 
1 1 1   31    1   12 o   45.640   0.4814 -3.618000 0.9628000 
1 1 1   31    1   13 f   49.470   0.5098 -1.691000 1.020000 
1 1 1   31    1   14 o   43.990   0.4236 -0.8901000 0.8471000 
1 1 1   31    1   15 o   40.560   0.4059 -5.779000 0.8118000 
1 1 1   31    1   16 o   19.190   0.4664 -4.636000 0.9328000 
1 1 1   31    1   17 o   14.530   0.5869 -0.7614000 1.174000 
1 1 1   31    1   18 o   39.980   0.4565 1.552000 0.9130000 
1 1 1   31    1   19 o   47.950   0.5073 0.6811000 1.015000 
1 1 1   31    1   20 o   12.650   0.6811 -3.542000 1.362000 
1 1 1   31    1   21 o   38.630   0.4613 -0.6047000 0.9227000 
1 1 1   31    1   22 o   38.680   0.5234 1.646000 1.047000 
1 1 1   31    1   23 o   31.150   0.4491 1.272000 0.8982000 
1 1 1   31    1   24 o   11.760   1.7640 -6.043000 3.528000 
1 1 1   31    1   25 o   34.080   0.8137 1.641000 1.627000 
1 1 1   31    1   26 o   12.110   2.4090 0.4983000 4.819000 
1 1 1   31    1   27 o   25.260   1.3390 -2.569000 2.678000 
1 1 1   31    1   28 o   32.380   1.1910 4.238000 2.382000 
1 1 1   31    1   29 f   18.900   1.9790 1.014000 3.959000 
1 1 1   31    1   30 o   9.7250   2.6070 -0.6655000 5.215000 
1 1 1   31    1   31 o   12.850   2.6590 -0.2992000 5.318000 
1 1 1   31    1   32 o   9.5990   2.5130 -4.086000 5.026000 
1 1 1   31    1   33 o   16.830   2.1440 -1.667000 4.288000 
1 1 1   31    1   34 o   17.380   2.0160 2.814000 4.032000 
1 1 1   31    2    0 o   28.860   0.6105 -0.000000 0.000000 
1 1 1   31    2    1 o   75.220   0.7994 4.584000 1.599000 
1 1 1   31    2    2 f  139.200   1.4540 2.391000 2.908000 
1 1 1   31    2    3 o   6.2320   1.2430 -0.7297000 2.486000 
1 1 1   31    2    4 o   56.650   0.6210 -0.2323000 1.242000 
1 1 1   31    2    5 o   87.930   0.9272 0.9849000 1.854000 
1 1 1   31    2    6 o   28.520   0.4397 -5.886000 0.8794000 
1 1 1   31    2    7 f   14.640   0.5920 -1.708000 1.184000 
1 1 1   31    2    8 o   37.780   0.4714 0.2169000 0.9428000 
1 1 1   31    2    9 o   65.250   0.7031 2.443000 1.406000 
1 1 1   31    2   10 o   82.310   0.8716 3.794000 1.743000 
1 1 1   31    2   11 o   55.670   0.6127 -1.846000 1.225000 
1 1 1   31    2   12 o   46.620   0.5349 -3.679000 1.070000 
1 1 1   31    2   13 o   14.000   0.6557 0.2890000 1.311000 
1 1 1   31    2   14 o   37.590   0.4863 6.937000 0.9726000 
1 1 1   31    2   15 o   5.7570   1.3400 -1.858000 2.680000 
1 1 1   31    2   16 o   18.930   0.5511 -4.535000 1.102000 
1 1 1   31    2   17 o   58.300   0.5863 3.957000 1.173000 
1 1 1   31    2   18 o   39.160   0.4619 1.632000 0.9238000 
1 1 1   31    2   19 o   80.160   0.7882 -5.619000 1.576000 
1 1 1   31    2   20 o   28.550   0.5162 -4.752000 1.032000 
1 1 1   31    2   21 f   6.3700   1.2900 0.5365000 2.581000 
1 1 1   31    2   22 o   34.340   0.4386 -0.3945000 0.8773000 
1 1 1   31    2   23 o   25.690   0.5753 1.115000 1.151000 
1 1 1   31    2   24 o   44.500   0.4983 -3.220000 0.9966000 
1 1 1   31    2   25 o   15.470   0.8576 3.817000 1.715000 
1 1 1   31    2   26 o   24.730   0.6162 4.329000 1.232000 
1 1 1   31    2   27 o   10.010   1.2620 2.875000 2.523000 
1 1 1   31    2   28 o   22.580   1.0500 -4.210000 2.100000 
1 1 1   31    2   29 o   10.730   2.6100 2.339000 5.220000 
1 1 1   31    2   30 o   20.400   1.8120 5.680000 3.625000 
1 1 1   31    2   31 o   8.4210   2.4340 -2.793000 4.867000 
1 1 1   31    2   32 o   22.640   1.5530 -0.2471000 3.105000 
1 1 1   31    2   33 o   6.5190   2.1240 -0.3560000 4.247000 
1 1 1   31    2   34 f   7.7860   2.3140 -0.3850000 4.628000 
1 1 1   31    3    0 o   49.660   0.7922 -0.000000 0.000000 
1 1 1   31    3    1 o   71.060   0.7602 -1.602000 1.520000 
1 1 1   31    3    2 o   30.380   0.4466 -7.109000 0.8931000 
1 1 1   31    3    3 o   49.850   0.5630 2.345000 1.126000 
1 1 1   31    3    4 o   30.860   0.4542 1.899000 0.9084000 
1 1 1   31    3    5 o   39.600   0.4917 0.9247000 0.9833000 
1 1 1   31    3    6 o   44.740   0.5234 1.197000 1.047000 
1 1 1   31    3    7 o   69.580   0.7481 8.296000 1.496000 
1 1 1   31    3    8 o   52.930   0.5932 2.544000 1.186000 
1 1 1   31    3    9 o   39.590   0.4935 1.296000 0.9871000 
1 1 1   31    3   10 o   23.750   0.4808 6.067000 0.9617000 
1 1 1   31    3   11 o   69.420   0.7448 2.490000 1.490000 
1 1 1   31    3   12 o   36.630   0.4765 -0.6784000 0.9531000 
1 1 1   31    3   13 o   50.910   0.5776 -1.485000 1.155000 
1 1 1   31    3   14 o   80.900   0.8616 5.826000 1.723000 
1 1 1   31    3   15 o   9.2120   1.1550 4.550000 2.310000 
1 1 1   31    3   16 o   54.990   0.6202 -1.214000 1.240000 
1 1 1   31    3   17 o   35.110   0.7000      ?      ? 
1 1 1   31    3   18 o   52.060   0.6008 -1.740000 1.202000 
1 1 1   31    3   19 o   21.120   0.5766 2.980000 1.153000 
1 1 1   31    3   20 o   44.540   0.5087 -0.8381000 1.017000 
1 1 1   31    3   21 o   24.280   0.5355 1.458000 1.071000 
1 1 1   31    3   22 o   51.760   0.5613 2.869000 1.123000 
1 1 1   31    3   23 o   22.750   0.6112 -0.2589000 1.222000 
1 1 1   31    3   24 o   31.960   0.5046 0.4965000 1.009000 
1 1 1   31    3   25 o   16.330   0.7607 -1.334000 1.521000 
1 1 1   31    3   26 o   18.340   0.7154 -0.8050000 1.431000 
1 1 1   31    3   27 o   24.300   0.6938 -3.276000 1.388000 
1 1 1   31    3   28 o   10.410   1.5840 -2.936000 3.168000 
1 1 1   31    3   29 o   11.130   1.5310 0.8924000 3.062000 
1 1 1   31    3   30 o   16.410   1.1450      ?      ? 
1 1 1   31    3   31 o   16.150   1.5740 -1.190000 3.148000 
1 1 1   31    3   32 o   12.710   1.8620 2.652000 3.725000 
1 1 1   31    3   33 o   7.5960   1.8130 0.5890000 3.625000 
1 1 1   31    3   34 o   14.370   2.2270 4.823000 4.455000 
1 1 1   31    4    0 o   93.220   1.3910 -0.000000 0.000000 
1 1 1   31    4    1 f   78.590   0.8391 -5.772000 1.678000 
1 1 1   31    4    2 o   16.880   0.6223 -4.846000 1.245000 
1 1 1   31    4    3 o   27.050   0.4764 3.519000 0.9528000 
1 1 1   31    4    4 o   37.780   0.4881 -2.603000 0.9762000 
1 1 1   31    4    5 o   16.650   0.6099 1.580000 1.220000 
1 1 1   31    4    6 o   44.920   0.7541      ?      ? 
1 1 1   31    4    7 o   5.5690   1.3310 -2.363000 2.661000 
1 1 1   31    4    8 o   24.580   0.4991 0.9382000 0.9981000 
1 1 1   31    4    9 o   59.130   0.6510 3.449000 1.302000 
1 1 1   31    4   10 o   46.700   0.5477 4.856000 1.095000 
1 1 1   31    4   11 o   17.350   0.6336 -0.6981000 1.267000 
1 1 1   31    4   12 o   21.280   0.5591 -2.559000 1.118000 
1 1 1   31    4   13 o   82.350   0.8772 -0.3782000 1.754000 
1 1 1   31    4   14 o   41.700   0.5293 1.526000 1.059000 
1 1 1   31    4   15 o   28.460   0.5077 0.8984000 1.015000 
1 1 1   31    4   16 o   14.400   0.8891 -6.931000 1.778000 
1 1 1   31    4   17 o   22.690   0.5419 1.458000 1.084000 
1 1 1   31    4   18 o   36.390   0.4817 -2.519000 0.9634000 
1 1 1   31    4   19 o   23.280   0.5683 0.9726000 1.137000 
1 1 1   31    4   20 f   41.060   0.5069 -3.816000 1.014000 
1 1 1   31    4   21 o   73.640   0.7341 0.8046000 1.468000 
1 1 1   31    4   22 o   39.190   0.5286 -1.086000 1.057000 
1 1 1   31    4   23 o   21.210   0.6769 0.6224000E-01 1.354000 
1 1 1   31    4   24 o   26.340   0.5974 -2.111000 1.195000 
1 1 1   31    4   25 o   32.470   0.5660 -1.627000 1.132000 
1 1 1   31    4   26 o   17.220   0.9654 3.501000 1.931000 
1 1 1   31    4   27 f   30.700   0.6030 0.5410000 1.206000 
1 1 1   31    4   28 o   32.030   0.6172 1.227000 1.234000 
1 1 1   31    4   29 o   22.360   0.7227 -1.840000 1.445000 
1 1 1   31    4   30 o   14.720   1.4100 4.816000 2.820000 
1 1 1   31    4   31 o   16.800   1.6140 -3.005000 3.228000 
1 1 1   31    4   32 o   6.7690   3.0620      ?      ? 
1 1 1   31    4   33 o   11.560   1.8480      ?      ? 
1 1 1   31    4   34 o   13.820   1.6390      ?      ? 
1 1 1   31    5    0 o   45.320   0.7663 -0.000000 0.000000 
1 1 1   31    5    1 o   28.370   0.4987 -6.801000 0.9975000 
1 1 1   31    5    2 o   29.070   0.4977 5.769000 0.9953000 
1 1 1   31    5    3 o   27.260   0.5079 -4.438000 1.016000 
1 1 1   31    5    4 o   18.540   0.6195 -3.157000 1.239000 
1 1 1   31    5    5 o   76.200   0.8189 -6.018000 1.638000 
1 1 1   31    5    6 o   60.060   0.6669 -0.5409000 1.334000 
1 1 1   31    5    7 o   34.180   0.4984 -0.9773000 0.9967000 
1 1 1   31    5    8 o   57.730   0.6474 0.8253000 1.295000 
1 1 1   31    5    9 o   51.870   0.5987 -0.4445000 1.197000 
1 1 1   31    5   10 o   13.640   0.8792 3.489000 1.758000 
1 1 1   31    5   11 o   23.370   0.5685 -1.849000 1.137000 
1 1 1   31    5   12 o   62.340   0.6896 -1.486000 1.379000 
1 1 1   31    5   13 o   10.520   1.2080 -7.023000 2.416000 
1 1 1   31    5   14 o   17.060   0.6675 -0.4413000 1.335000 
1 1 1   31    5   15 o   8.3800   1.3480 -1.002000 2.695000 
1 1 1   31    5   16 o   43.670   0.5084 0.6077000 1.017000 
1 1 1   31    5   17 o   20.800   0.6109 -0.8098000 1.222000 
1 1 1   31    5   18 o   36.220   0.5026 1.553000 1.005000 
1 1 1   31    5   19 o   40.760   0.5150 -0.2287000E-01 1.030000 
1 1 1   31    5   20 o   17.960   0.7686 1.494000 1.537000 
1 1 1   31    5   21 o   32.290   0.5398 -3.537000 1.080000 
1 1 1   31    5   22 o   11.950   1.3430 3.807000 2.686000 
1 1 1   31    5   23 o   43.920   0.5619 3.696000 1.124000 
1 1 1   31    5   24 o   25.130   0.7323 -2.585000 1.465000 
1 1 1   31    5   25 o   14.660   1.1100 0.1613000 2.221000 
1 1 1   31    5   26 o   33.990   0.5944 -1.232000 1.189000 
1 1 1   31    5   27 o   21.750   0.8061 0.8050000 1.612000 
1 1 1   31    5   28 o   9.6380   1.6810 2.554000 3.362000 
1 1 1   31    5   29 o   22.830   0.8255 0.1168000 1.651000 
1 1 1   31    5   30 o   19.120   0.9523 0.4267000 1.905000 
1 1 1   31    5   31 o   7.4180   1.6980 -0.5809000 3.396000 
1 1 1   31    5   32 o   9.1290   1.5480 1.430000 3.096000 
1 1 1   31    5   33 o   10.440   2.2060 -1.370000 4.412000 
1 1 1   31    6    0 o   20.570   0.8501 -0.000000 0.000000 
1 1 1   31    6    1 o   55.040   0.6312 2.646000 1.262000 
1 1 1   31    6    2 o   21.930   0.5790 1.141000 1.158000 
1 1 1   31    6    3 o   48.970   0.5837 1.447000 1.167000 
1 1 1   31    6    4 o   55.310   0.6333 2.364000 1.267000 
1 1 1   31    6    5 o   75.720   0.8158 0.1214000 1.632000 
1 1 1   31    6    6 f   23.160   0.5862 -2.319000 1.172000 
1 1 1   31    6    7 o   51.530   0.6022 -3.542000 1.204000 
1 1 1   31    6    8 o   5.9600   1.4970 -1.760000 2.994000 
1 1 1   31    6    9 o   30.830   0.5273 -0.3677000E-01 1.055000 
1 1 1   31    6   10 o   9.5360   1.2650 -8.306000 2.529000 
1 1 1   31    6   11 o   12.090   1.0950 -0.9762000 2.190000 
1 1 1   31    6   12 o   27.360   0.5180 2.035000 1.036000 
1 1 1   31    6   13 o   6.6220   1.4190 2.927000 2.838000 
1 1 1   31    6   14 o   47.800   0.5395 -0.9169000 1.079000 
1 1 1   31    6   15 o   12.730   1.2040 7.853000 2.407000 
1 1 1   31    6   16 o   21.160   0.6841 6.282000 1.368000 
1 1 1   31    6   17 o   22.230   0.6324 -1.103000 1.265000 
1 1 1   31    6   18 o   7.4960   1.6080 0.1429000 3.217000 
1 1 1   31    6   19 o   34.020   0.5334 1.902000 1.067000 
1 1 1   31    6   20 o   15.870   0.8838 -1.513000 1.768000 
1 1 1   31    6   21 o   23.450   0.6779 -0.1106000 1.356000 
1 1 1   31    6   22 o   52.340   0.5967 0.7076000 1.193000 
1 1 1   31    6   23 o   31.960   0.6104 -0.8962000 1.221000 
1 1 1   31    6   24 o   22.910   0.8009 3.622000 1.602000 
1 1 1   31    6   25 o   35.990   0.6160 1.541000 1.232000 
1 1 1   31    6   26 o   14.010   1.4440 4.700000 2.888000 
1 1 1   31    6   27 o   14.490   1.3960 0.7224000E-01 2.791000 
1 1 1   31    6   28 o   8.6590   1.8760 -0.2983000 3.752000 
1 1 1   31    6   29 o   26.690   0.7562 0.1159000 1.512000 
1 1 1   31    6   30 o   26.260   0.7838 0.7539000 1.568000 
1 1 1   31    6   31 o   16.460   1.1130 0.8909000 2.226000 
1 1 1   31    6   32 o   5.7880   1.7130 -3.511000 3.427000 
1 1 1   31    6   33 o   5.1070   1.5690 -1.006000 3.138000 
1 1 1   31    7    0 o   68.230   1.0610 -0.000000 0.000000 
1 1 1   31    7    1 o   23.070   0.6384 6.852000 1.277000 
1 1 1   31    7    2 o   49.080   0.5970 2.819000 1.194000 
1 1 1   31    7    3 o   42.500   0.5558 -2.943000 1.112000 
1 1 1   31    7    4 o   48.580   0.5970 6.916000 1.194000 
1 1 1   31    7    5 o   48.530   0.5909 0.1385000 1.182000 
1 1 1   31    7    6 o   8.9810   1.4100 -3.943000 2.820000 
1 1 1   31    7    7 o   28.880   0.5554 -3.044000 1.111000 
1 1 1   31    7    8 o   6.5930   1.5300 2.852000 3.059000 
1 1 1   31    7    9 o   34.450   0.5007 1.398000 1.001000 
1 1 1   31    7   10 o   20.180   0.6548 1.133000 1.310000 
1 1 1   31    7   11 o   30.030   0.5344 4.323000 1.069000 
1 1 1   31    7   12 o   7.0750   1.5800 -1.994000 3.161000 
1 1 1   31    7   13 o   27.650   0.5481 -1.861000 1.096000 
1 1 1   31    7   14 o   17.560   0.7640 -0.2170000 1.528000 
1 1 1   31    7   15 o   33.620   0.5218 -0.8347000E-02 1.044000 
1 1 1   31    7   16 o   23.520   0.6436 -0.9087000 1.287000 
1 1 1   31    7   17 o   9.3690   1.4850 -4.281000 2.969000 
1 1 1   31    7   18 o   31.070   0.5687 -0.1696000 1.137000 
1 1 1   31    7   19 o   5.1650   1.6130 -0.5606000 3.227000 
1 1 1   31    7   20 o   10.910   1.4730 3.494000 2.947000 
1 1 1   31    7   21 o   20.440   0.8046 -2.556000 1.609000 
1 1 1   31    7   22 o   7.0030   1.5950 3.969000 3.190000 
1 1 1   31    7   23 o   28.050   0.7855 4.806000 1.571000 
1 1 1   31    7   24 o   24.930   0.7817 0.1776000 1.563000 
1 1 1   31    7   25 o   33.110   0.6671 2.418000 1.334000 
1 1 1   31    7   26 o   33.620   0.6739 0.3805000 1.348000 
1 1 1   31    7   27 o   14.590   1.6080 3.660000 3.217000 
1 1 1   31    7   28 o   18.750   1.1110 1.348000 2.221000 
1 1 1   31    7   29 o   10.900   1.7600 1.578000 3.519000 
1 1 1   31    7   30 f   6.4520   1.6260 3.732000 3.251000 
1 1 1   31    7   31 o   11.900   1.6040 -2.721000 3.209000 
1 1 1   31    7   32 o   15.330   1.5000 6.008000 3.001000 
1 1 1   31    7   33 o   7.5870   1.8300 2.655000 3.660000 
1 1 1   31    8    0 o   58.360   0.9482 -0.000000 0.000000 
1 1 1   31    8    1 o   9.1310   1.5180 -0.7789000 3.036000 
1 1 1   31    8    2 o   25.330   0.6191 -0.4049000 1.238000 
1 1 1   31    8    3 o   46.960   0.5957 2.811000 1.191000 
1 1 1   31    8    4 o   30.700   0.5741 -1.079000 1.148000 
1 1 1   31    8    5 o   20.050   0.7004 3.720000 1.401000 
1 1 1   31    8    6 o   25.000   0.5965 -9.447000 1.193000 
1 1 1   31    8    7 o   40.740   0.5155 4.143000 1.031000 
1 1 1   31    8    8 o   38.780   0.5199 6.156000 1.040000 
1 1 1   31    8    9 o   42.240   0.5287 0.9539000 1.057000 
1 1 1   31    8   10 o   31.790   0.5438 4.242000 1.088000 
1 1 1   31    8   11 o   13.120   1.1940 4.991000 2.388000 
1 1 1   31    8   12 f   16.070   0.8851 -3.386000 1.770000 
1 1 1   31    8   13 o   30.850   0.7026      ?      ? 
1 1 1   31    8   14 o   17.790   0.8254 -4.212000 1.651000 
1 1 1   31    8   15 o   27.430   0.6677 0.5778000E-01 1.335000 
1 1 1   31    8   16 o   34.550   0.6271 3.334000 1.254000 
1 1 1   31    8   17 o   10.170   1.5050 4.823000 3.010000 
1 1 1   31    8   18 o   9.7060   1.6170 0.9211000 3.235000 
1 1 1   31    8   19 o   23.500   0.8574 -3.061000 1.715000 
1 1 1   31    8   20 o   33.470   0.6248 1.527000 1.250000 
1 1 1   31    8   21 o   25.640   0.7334 -1.058000 1.467000 
1 1 1   31    8   22 o   25.740   0.7705 -0.6702000E-02 1.541000 
1 1 1   31    8   23 o   34.620   0.6605 2.635000 1.321000 
1 1 1   31    8   24 o   36.040   0.6665 2.586000 1.333000 
1 1 1   31    8   25 o   20.690   1.0880 0.5723000 2.176000 
1 1 1   31    8   26 f   29.130   0.8324 -1.932000 1.665000 
1 1 1   31    8   27 o   29.080   0.7705 -1.975000 1.541000 
1 1 1   31    8   28 o   34.390   0.6959 -1.819000 1.392000 
1 1 1   31    8   29 o   10.130   1.7230 5.546000 3.447000 
1 1 1   31    8   30 o   9.6030   1.8940 0.4303000 3.788000 
1 1 1   31    8   31 o   8.0370   1.8690 -4.858000 3.738000 
1 1 1   31    8   32 o   8.3120   1.8830 -0.2434000 3.766000 
1 1 1   31    9    0 o   24.090   0.9737 -0.000000 0.000000 
1 1 1   31    9    1 o   44.080   0.5549 -2.652000 1.110000 
1 1 1   31    9    2 o   28.590   0.5830 -0.2001000 1.166000 
1 1 1   31    9    3 o   39.530   0.5376 3.625000 1.075000 
1 1 1   31    9    4 o   84.600   0.8348 0.6383000E-01 1.670000 
1 1 1   31    9    5 o   38.330   0.5366 -2.666000 1.073000 
1 1 1   31    9    6 o   27.840   0.5917 -1.238000 1.183000 
1 1 1   31    9    7 o   5.6390   1.5910 -1.131000 3.183000 
1 1 1   31    9    8 o   48.230   0.5649 4.470000 1.130000 
1 1 1   31    9    9 o   40.140   0.5456 -0.6184000 1.091000 
1 1 1   31    9   10 o   20.820   0.7288 2.194000 1.458000 
1 1 1   31    9   11 o   9.8600   1.5220 -1.445000 3.045000 
1 1 1   31    9   12 o   15.490   0.9775 -1.218000 1.955000 
1 1 1   31    9   13 o   8.9870   1.5050 5.957000 3.009000 
1 1 1   31    9   14 o   36.870   0.5712 0.3713000 1.142000 
1 1 1   31    9   15 o   9.0310   1.5890 4.838000 3.179000 
1 1 1   31    9   16 o   56.130   0.6269 2.062000 1.254000 
1 1 1   31    9   17 o   51.550   0.6120 -3.934000 1.224000 
1 1 1   31    9   18 o   14.170   1.4190 -2.417000 2.838000 
1 1 1   31    9   19 o   50.850   0.6179 -2.349000 1.236000 
1 1 1   31    9   20 o   18.210   1.0440 1.180000 2.088000 
1 1 1   31    9   21 o   15.530   1.2540 -3.100000 2.507000 
1 1 1   31    9   22 o   19.280   1.0690 2.322000 2.139000 
1 1 1   31    9   23 o   16.140   1.5130 3.926000 3.026000 
1 1 1   31    9   24 o   14.250   1.5040 -1.963000 3.008000 
1 1 1   31    9   25 o   38.510   0.6887 -1.540000 1.377000 
1 1 1   31    9   26 o   21.630   1.0430 0.8969000 2.087000 
1 1 1   31    9   27 o   31.450   0.7729 -1.250000 1.546000 
1 1 1   31    9   28 o   13.040   1.7360 5.498000 3.472000 
1 1 1   31    9   29 f   11.040   1.7340 6.434000 3.469000 
1 1 1   31    9   30 o   22.060   0.9489 1.243000 1.898000 
1 1 1   31    9   31 o   10.750   1.7460 2.939000 3.493000 
1 1 1   31    9   32 o   9.7480   2.2750 0.1700000 4.551000 
1 1 1   31   10    0 o   33.390   0.7333 -0.000000 0.000000 
1 1 1   31   10    1 o   48.340   0.5210 -0.6501000E-01 1.042000 
1 1 1   31   10    2 o   67.070   0.6264 1.520000 1.253000 
1 1 1   31   10    3 o   28.020   0.5762 1.939000 1.152000 
1 1 1   31   10    4 o   42.950   0.5689 0.4839000E-01 1.138000 
1 1 1   31   10    5 o   10.730   1.5200 -2.952000 3.039000 
1 1 1   31   10    6 o   28.060   0.6211 -2.498000 1.242000 
1 1 1   31   10    7 o   30.180   0.6024 3.575000 1.205000 
1 1 1   31   10    8 o   15.800   0.9741 -1.294000 1.948000 
1 1 1   31   10    9 o   8.5660   1.6870 -3.057000 3.374000 
1 1 1   31   10   10 o   43.550   0.5681 2.823000 1.136000 
1 1 1   31   10   11 o   34.570   0.5837 -3.536000 1.167000 
1 1 1   31   10   12 o   40.410   0.5806 0.7316000 1.161000 
1 1 1   31   10   13 o   61.470   0.6618 1.199000 1.324000 
1 1 1   31   10   14 o   8.4990   1.5600 -4.357000 3.120000 
1 1 1   31   10   15 o   43.920   0.5294 1.744000 1.059000 
1 1 1   31   10   16 o   21.100   0.7718 1.968000 1.544000 
1 1 1   31   10   17 o   9.7150   1.5610 5.952000 3.122000 
1 1 1   31   10   18 o   40.450   0.5514 -1.256000 1.103000 
1 1 1   31   10   19 o   13.330   1.4670 1.967000 2.934000 
1 1 1   31   10   20 o   24.310   0.7475 1.571000 1.495000 
1 1 1   31   10   21 o   28.950   0.6839 0.3403000 1.368000 
1 1 1   31   10   22 o   10.850   1.7470 1.443000 3.494000 
1 1 1   31   10   23 o   10.330   1.7360 5.538000 3.472000 
1 1 1   31   10   24 o   20.200   0.9673 0.1160000 1.935000 
1 1 1   31   10   25 o   19.830   0.9772 -2.116000 1.954000 
1 1 1   31   10   26 o   23.390   0.8608 -4.469000 1.722000 
1 1 1   31   10   27 o   19.640   0.9885 -2.788000 1.977000 
1 1 1   31   10   28 o   6.2540   1.7960 1.192000 3.591000 
1 1 1   31   10   29 o   7.0980   1.8050 2.165000 3.611000 
1 1 1   31   10   30 o   7.8890   1.4910 6.683000 2.981000 
1 1 1   31   10   31 o   5.6120   1.6580 1.268000 3.315000 
1 1 1   31   11    0 o   16.190   1.3120 -0.000000 0.000000 
1 1 1   31   11    1 o   34.070   0.5517 -2.398000 1.103000 
1 1 1   31   11    2 o   40.880   0.5312 0.6734000 1.062000 
1 1 1   31   11    3 o   12.180   1.3050 4.450000 2.610000 
1 1 1   31   11    4 o   54.850   0.5657 -0.2937000 1.131000 
1 1 1   31   11    5 o   67.430   0.6380 -0.4177000 1.276000 
1 1 1   31   11    6 o   16.350   0.9391 0.1991000 1.878000 
1 1 1   31   11    7 o   6.5580   1.5750 -4.037000 3.149000 
1 1 1   31   11    8 o   40.670   0.6086 -2.019000 1.217000 
1 1 1   31   11    9 o   29.360   0.5536 2.290000 1.107000 
1 1 1   31   11   10 o   23.590   0.6479 -0.4605000 1.296000 
1 1 1   31   11   11 o   40.930   0.5305 -0.6021000 1.061000 
1 1 1   31   11   12 o   16.150   0.9966 2.686000 1.993000 
1 1 1   31   11   13 o   19.540   0.8446 4.844000 1.689000 
1 1 1   31   11   14 o   27.130   0.6720 -2.959000 1.344000 
1 1 1   31   11   15 o   29.320   0.6523 -1.600000 1.305000 
1 1 1   31   11   16 o   8.4180   1.8350 0.7615000 3.671000 
1 1 1   31   11   17 o   42.010   0.5829 -0.9994000 1.166000 
1 1 1   31   11   18 f   43.500   0.5828 2.487000 1.166000 
1 1 1   31   11   19 o   28.800   0.7081 0.9005000 1.416000 
1 1 1   31   11   20 o   16.070   1.2240 1.854000 2.447000 
1 1 1   31   11   21 o   7.3430   1.8340 4.154000 3.669000 
1 1 1   31   11   22 o   15.260   1.4310 5.290000 2.861000 
1 1 1   31   11   23 o   21.530   0.9889 0.1219000 1.978000 
1 1 1   31   11   24 o   24.110   0.9043 -2.052000 1.809000 
1 1 1   31   11   25 o   12.690   1.6690 0.7894000 3.338000 
1 1 1   31   11   26 o   7.0800   1.9390 -1.482000 3.878000 
1 1 1   31   11   27 o   20.710   0.9856 0.2359000 1.971000 
1 1 1   31   11   28 o   8.0600   1.8930 -3.036000 3.786000 
1 1 1   31   11   29 o   10.270   1.8250 -0.5125000 3.649000 
1 1 1   31   11   30 o   8.4140   1.8670 -0.2891000 3.733000 
1 1 1   31   12    0 o   29.750   0.8918 -0.000000 0.000000 
1 1 1   31   12    1 o   42.330   0.5591 -1.328000 1.118000 
1 1 1   31   12    2 o   21.430   0.8139 -3.307000 1.628000 
1 1 1   31   12    3 o   27.480   0.6642 0.4757000 1.328000 
1 1 1   31   12    4 o   42.630   0.5571 -1.671000 1.114000 
1 1 1   31   12    5 o   12.620   1.3880 -0.4429000E-01 2.775000 
1 1 1   31   12    6 f   34.580   0.5505 0.6369000 1.101000 
1 1 1   31   12    7 o   17.660   0.9076 0.9837000 1.815000 
1 1 1   31   12    8 f   27.970   0.6163 1.061000 1.233000 
1 1 1   31   12    9 o   15.840   1.0690 -3.655000 2.137000 
1 1 1   31   12   10 o   6.1840   1.7060 2.273000 3.411000 
1 1 1   31   12   11 o   16.090   1.0100 1.926000 2.020000 
1 1 1   31   12   12 o   41.160   0.5413 -2.691000 1.083000 
1 1 1   31   12   13 o   42.670   0.5466 -1.477000 1.093000 
1 1 1   31   12   14 o   10.180   1.7100 1.727000 3.420000 
1 1 1   31   12   15 o   15.760   1.1430 1.296000 2.285000 
1 1 1   31   12   16 o   24.690   0.7713 3.008000 1.543000 
1 1 1   31   12   17 o   34.590   0.6228 1.263000 1.246000 
1 1 1   31   12   18 o   32.900   0.6628 -3.310000 1.326000 
1 1 1   31   12   19 o   12.580   1.7500 -1.945000 3.500000 
1 1 1   31   12   20 o   7.1880   1.8310 5.323000 3.662000 
1 1 1   31   12   21 o   14.630   1.4770 6.999000 2.955000 
1 1 1   31   12   22 o   16.210   1.2960 0.6441000 2.593000 
1 1 1   31   12   23 o   17.540   1.2580 1.403000 2.516000 
1 1 1   31   12   24 o   21.990   0.9555 3.996000 1.911000 
1 1 1   31   12   25 o   13.750   1.5260 -0.9387000E-01 3.051000 
1 1 1   31   12   26 o   7.2520   1.9500 -0.6700000 3.901000 
1 1 1   31   12   27 o   8.4810   1.8740 4.046000 3.748000 
1 1 1   31   12   28 o   7.6120   1.9340 1.560000 3.868000 
1 1 1   31   12   29 o   8.5630   1.8350 -2.937000 3.670000 
1 1 1   31   13    0 f   8.5010   2.6880 -0.000000 0.000000 
1 1 1   31   13    1 o   25.270   0.7596 -0.1681000 1.519000 
1 1 1   31   13    2 o   27.010   0.7161 -0.8751000 1.432000 
1 1 1   31   13    3 o   16.240   1.0780 -2.282000 2.157000 
1 1 1   31   13    4 o   35.850   0.5724 -0.1529000 1.145000 
1 1 1   31   13    5 o   6.6580   1.6010 -4.109000 3.202000 
1 1 1   31   13    6 o   6.8900   1.8040 2.005000 3.608000 
1 1 1   31   13    7 o   6.1400   1.7490 -0.2588000E-01 3.498000 
1 1 1   31   13    8 o   23.440   0.7758 -2.811000 1.552000 
1 1 1   31   13    9 o   18.160   0.9521 1.018000 1.904000 
1 1 1   31   13   10 o   43.000   0.5489 0.6242000 1.098000 
1 1 1   31   13   11 o   25.610   0.8558 -0.6697000 1.712000 
1 1 1   31   13   12 o   16.940   1.2580 3.766000 2.517000 
1 1 1   31   13   13 o   18.570   1.0150 2.784000 2.030000 
1 1 1   31   13   14 o   30.600   0.6714 1.333000 1.343000 
1 1 1   31   13   15 o   32.060   0.6667 2.948000 1.333000 
1 1 1   31   13   16 o   22.390   0.8828 -0.3604000 1.766000 
1 1 1   31   13   17 o   20.070   1.2330 -2.665000 2.465000 
1 1 1   31   13   18 o   11.260   1.5900 10.80000 3.181000 
1 1 1   31   13   19 o   27.950   0.7977 1.511000 1.595000 
1 1 1   31   13   20 o   14.390   1.6140 -4.594000 3.228000 
1 1 1   31   13   21 o   12.250   1.7940 4.956000 3.588000 
1 1 1   31   13   22 o   11.690   1.8710 -1.924000 3.741000 
1 1 1   31   13   23 o   22.580   0.9851 -0.2081000 1.970000 
1 1 1   31   13   24 o   8.4770   2.0310 2.212000 4.062000 
1 1 1   31   13   25 o   9.2090   1.9890 -2.726000 3.977000 
1 1 1   31   13   26 o   7.4280   1.9110 -2.972000 3.822000 
1 1 1   31   13   27 o   6.6420   1.9200 1.362000 3.841000 
1 1 1   31   13   28 o   6.2110   1.8520 0.5974000 3.704000 
1 1 1   31   13   29 o   7.0800   2.8350      ?      ? 
1 1 1   31   14    0 o   26.430   0.9247 -0.000000 0.000000 
1 1 1   31   14    1 o   35.120   0.6074 -1.286000 1.215000 
1 1 1   31   14    2 o   20.910   0.8951 1.279000 1.790000 
1 1 1   31   14    3 o   42.170   0.5740 0.6301000 1.148000 
1 1 1   31   14    4 f   22.240   0.8478 1.104000 1.696000 
1 1 1   31   14    5 o   24.660   0.7809 3.208000 1.562000 
1 1 1   31   14    6 o   33.850   0.6212 2.487000 1.242000 
1 1 1   31   14    7 o   24.260   0.7962 -1.993000 1.592000 
1 1 1   31   14    8 o   11.520   1.6470 -1.334000 3.293000 
1 1 1   31   14    9 o   13.690   1.3950 1.368000 2.790000 
1 1 1   31   14   10 o   26.420   0.7514 -1.484000 1.503000 
1 1 1   31   14   11 o   30.690   0.6854 -1.718000 1.371000 
1 1 1   31   14   12 o   15.930   1.2370 1.345000 2.475000 
1 1 1   31   14   13 f   12.680   1.6390 8.453000 3.278000 
1 1 1   31   14   14 o   17.890   1.1370 1.574000 2.275000 
1 1 1   31   14   15 f   31.030   0.7162 0.4432000 1.432000 
1 1 1   31   14   16 o   30.870   0.7732 5.157000 1.546000 
1 1 1   31   14   17 o   22.630   0.9760 -1.421000 1.952000 
1 1 1   31   14   18 o   8.6600   2.0610 2.484000 4.122000 
1 1 1   31   14   19 o   14.650   1.5620 3.151000 3.123000 
1 1 1   31   14   20 o   16.490   1.3850 2.835000 2.771000 
1 1 1   31   14   21 o   11.250   1.8150 8.017000 3.631000 
1 1 1   31   14   22 o   7.8480   1.9170 5.750000 3.835000 
1 1 1   31   14   23 o   13.500   1.7040 4.047000 3.408000 
1 1 1   31   14   24 o   6.9350   1.9660 2.397000 3.932000 
1 1 1   31   14   25 o   7.3400   1.8370 5.299000 3.673000 
1 1 1   31   14   26 o   12.010   1.7620 3.847000 3.525000 
1 1 1   31   14   27 o   9.6080   1.8890 4.420000 3.778000 
1 1 1   31   14   28 o   11.040   2.3750 1.202000 4.749000 
1 1 1   31   15    0 o   9.9420   2.4690 -0.000000 0.000000 
1 1 1   31   15    1 o   7.7360   1.8690 0.3260000 3.737000 
1 1 1   31   15    2 o   6.4910   1.6950 -3.794000 3.391000 
1 1 1   31   15    3 o   16.240   1.2200 -0.4261000 2.440000 
1 1 1   31   15    4 o   25.050   0.8035 1.186000 1.607000 
1 1 1   31   15    5 o   18.950   1.0430 2.797000 2.086000 
1 1 1   31   15    6 o   18.440   1.2060 -4.195000 2.412000 
1 1 1   31   15    7 o   29.770   0.7198 2.874000 1.440000 
1 1 1   31   15    8 o   19.380   1.0490 4.100000 2.098000 
1 1 1   31   15    9 o   30.090   0.7311 0.2886000E-02 1.462000 
1 1 1   31   15   10 o   7.0270   1.9450 1.392000 3.889000 
1 1 1   31   15   11 o   9.3300   1.9540 -2.503000 3.908000 
1 1 1   31   15   12 o   24.910   0.8701 1.594000 1.740000 
1 1 1   31   15   13 o   22.620   0.9804 2.373000 1.961000 
1 1 1   31   15   14 o   26.600   0.8539 3.845000 1.708000 
1 1 1   31   15   15 o   12.400   1.8520 -0.8106000 3.703000 
1 1 1   31   15   16 o   9.7030   2.0670 2.775000 4.134000 
1 1 1   31   15   17 o   6.8080   2.0080 1.049000 4.016000 
1 1 1   31   15   18 o   10.900   2.0490 3.731000 4.098000 
1 1 1   31   15   19 o   22.990   1.0270 0.4751000 2.055000 
1 1 1   31   15   20 o   15.520   1.5310 3.521000 3.061000 
1 1 1   31   15   21 o   4.7700   1.6220 0.3384000 3.243000 
1 1 1   31   15   22 o   7.6730   2.0790 1.524000 4.157000 
1 1 1   31   15   23 o   5.1500   1.7170 1.348000 3.434000 
1 1 1   31   15   24 o   10.390   2.0170 -0.6317000 4.034000 
1 1 1   31   15   25 o   8.4770   1.9860 -2.901000 3.972000 
1 1 1   31   15   26 o   7.4620   2.0100 0.7339000 4.019000 
1 1 1   31   16    0 o   7.9230   2.7340 -0.000000 0.000000 
1 1 1   31   16    1 o   18.480   1.0830 -5.627000 2.165000 
1 1 1   31   16    2 o   6.5760   1.8170 -2.186000 3.634000 
1 1 1   31   16    3 o   30.100   0.6918 0.8622000 1.384000 
1 1 1   31   16    4 o   23.410   0.8369 0.8483000 1.674000 
1 1 1   31   16    5 o   21.570   1.0010 -0.1020000 2.002000 
1 1 1   31   16    6 o   30.610   0.7554 1.052000 1.511000 
1 1 1   31   16    7 o   8.9950   2.0230 3.531000 4.046000 
1 1 1   31   16    8 o   19.310   1.1770 -2.979000 2.354000 
1 1 1   31   16    9 o   19.530   1.1320 -0.4088000E-01 2.264000 
1 1 1   31   16   10 o   14.940   1.5120 2.809000 3.024000 
1 1 1   31   16   11 o   16.630   1.4750 -4.776000 2.949000 
1 1 1   31   16   12 o   17.540   1.3370 -1.232000 2.673000 
1 1 1   31   16   13 o   13.800   1.7680 -5.320000 3.537000 
1 1 1   31   16   14 o   14.510   1.6480 1.314000 3.295000 
1 1 1   31   16   15 o   15.940   1.5100 1.664000 3.020000 
1 1 1   31   16   16 o   16.510   1.5010 -1.547000 3.001000 
1 1 1   31   16   17 o   15.820   1.5140 2.372000 3.028000 
1 1 1   31   16   18 o   10.210   2.1350 -1.604000 4.270000 
1 1 1   31   16   19 o   10.700   2.0880 -2.191000 4.177000 
1 1 1   31   16   20 o   10.140   1.9700 -5.035000 3.940000 
1 1 1   31   16   21 o   6.6420   1.9880 1.060000 3.975000 
1 1 1   31   16   22 o   10.090   2.1100 2.602000 4.219000 
1 1 1   31   16   23 o   9.4360   2.1020 -1.134000 4.203000 
1 1 1   31   16   24 o   8.0810   2.0880 -0.8833000 4.175000 
1 1 1   31   16   25 o   8.9350   1.9890 -3.035000 3.977000 
1 1 1   31   17    0 o   5.2770   2.4180 -0.000000 0.000000 
1 1 1   31   17    1 o   25.230   0.8463 -1.001000 1.693000 
1 1 1   31   17    2 f   9.5580   2.0050 -0.5821000 4.010000 
1 1 1   31   17    3 o   10.940   1.8400 -4.030000 3.679000 
1 1 1   31   17    4 o   20.700   1.0280 -2.509000 2.056000 
1 1 1   31   17    5 o   7.4740   1.9670 -1.970000 3.935000 
1 1 1   31   17    6 o   26.330   0.8368 -2.116000 1.674000 
1 1 1   31   17    7 o   18.420   1.3030 -2.410000 2.607000 
1 1 1   31   17    8 o   14.740   1.6760 -2.709000 3.352000 
1 1 1   31   17    9 o   19.650   1.2220 0.9665000 2.444000 
1 1 1   31   17   10 o   18.150   1.3600 -2.393000 2.720000 
1 1 1   31   17   11 o   27.220   0.9397 -2.431000 1.879000 
1 1 1   31   17   12 o   38.390   0.7304 -1.315000 1.461000 
1 1 1   31   17   13 o   7.8740   2.1480 1.414000 4.296000 
1 1 1   31   17   14 o   19.230   1.3300 -1.463000 2.660000 
1 1 1   31   17   15 o   8.7430   2.1540 3.314000 4.309000 
1 1 1   31   17   16 o   11.140   2.1030 -0.8611000 4.205000 
1 1 1   31   17   17 o   10.860   2.0110 -4.078000 4.023000 
1 1 1   31   17   18 o   6.7090   2.0160 0.8717000 4.033000 
1 1 1   31   17   19 o   7.4800   2.0760 -0.8744000 4.152000 
1 1 1   31   17   20 o   15.660   1.5560 0.5014000 3.112000 
1 1 1   31   17   21 o   6.5270   1.9730 -0.6666000 3.947000 
1 1 1   31   17   22 o   7.5300   2.0920 0.8877000 4.184000 
1 1 1   31   17   23 o   8.6420   2.1050 -0.8342000 4.211000 
1 1 1   31   17   24 o   8.4140   2.0520 3.809000 4.105000 
1 1 1   31   18    0 o   33.710   1.0320 -0.000000 0.000000 
1 1 1   31   18    1 o   14.690   1.6000 -4.737000 3.200000 
1 1 1   31   18    2 o   14.080   1.6210 2.261000 3.241000 
1 1 1   31   18    3 o   15.310   1.5220 3.344000 3.045000 
1 1 1   31   18    4 o   9.6520   1.9310 -5.578000 3.862000 
1 1 1   31   18    5 o   30.610   0.7946 -0.6497000E-01 1.589000 
1 1 1   31   18    6 f   12.300   1.8920 -2.514000 3.784000 
1 1 1   31   18    7 o   8.6130   2.0040 4.400000 4.009000 
1 1 1   31   18    8 o   22.480   1.1300 0.2364000 2.261000 
1 1 1   31   18    9 o   9.0700   2.1240 -3.115000 4.248000 
1 1 1   31   18   10 o   16.710   1.5340 3.081000 3.067000 
1 1 1   31   18   11 o   8.6700   2.1840 2.965000 4.368000 
1 1 1   31   18   12 o   14.430   1.8210 5.948000 3.642000 
1 1 1   31   18   13 o   10.480   2.0900 -3.321000 4.181000 
1 1 1   31   18   14 o   13.310   1.9090 0.5648000 3.817000 
1 1 1   31   18   15 o   16.180   1.6130 6.708000 3.225000 
1 1 1   31   18   16 o   10.820   2.0860 5.306000 4.172000 
1 1 1   31   18   17 o   8.0370   2.1710 0.6745000 4.343000 
1 1 1   31   18   18 o   7.8310   2.1370 2.305000 4.273000 
1 1 1   31   18   19 o   15.050   1.7350 -4.194000 3.470000 
1 1 1   31   18   20 o   8.3230   2.1420 2.414000 4.284000 
1 1 1   31   18   21 o   6.8750   2.0120 -0.9500000 4.025000 
1 1 1   31   18   22 o   6.9210   2.0270 1.231000 4.053000 
1 1 1   31   19    0 o   9.7330   3.0010 -0.000000 0.000000 
1 1 1   31   19    1 o   9.9120   2.1500 0.8563000 4.300000 
1 1 1   31   19    2 o   9.7230   2.1450 0.7866000 4.290000 
1 1 1   31   19    3 o   12.910   1.8850 1.377000 3.770000 
1 1 1   31   19    4 o   10.430   2.1640 2.996000 4.327000 
1 1 1   31   19    5 o   6.6580   2.0040 -0.7793000 4.008000 
1 1 1   31   19    6 f   10.280   2.1000 -3.278000 4.201000 
1 1 1   31   19    7 o   8.7310   2.0340 -4.494000 4.068000 
1 1 1   31   19    8 o   9.9700   2.1660 -0.9591000 4.332000 
1 1 1   31   19    9 o   10.710   2.0900 2.449000 4.180000 
1 1 1   31   19   10 o   10.030   2.2530 0.5395000 4.506000 
1 1 1   31   19   11 f   8.9770   2.2010 -1.474000 4.402000 
1 1 1   31   19   12 o   13.070   1.9640 -1.416000 3.929000 
1 1 1   31   19   13 o   10.430   2.0900 -3.473000 4.179000 
1 1 1   31   19   14 o   6.2380   1.9500 -0.6169000 3.900000 
1 1 1   31   19   15 f   9.1860   2.2220 0.4001000 4.444000 
1 1 1   31   19   16 o   18.140   1.3900 3.362000 2.780000 
1 1 1   31   19   17 f   13.330   2.0020 -3.941000 4.005000 
1 1 1   31   19   18 o   15.150   1.6460 2.818000 3.292000 
1 1 1   31   19   19 o   5.6160   1.8080 3.305000 3.616000 
1 1 1   31   19   20 o   6.5560   1.9800 0.6147000E-01 3.960000 
1 1 1   31   19   21 o   6.9990   3.0870      ?      ? 
1 1 1   31   20    0 o   12.180   2.8500 -0.000000 0.000000 
1 1 1   31   20    1 o   11.800   2.0390 2.552000 4.079000 
1 1 1   31   20    2 o   14.480   1.7300 -2.171000 3.459000 
1 1 1   31   20    3 o   13.310   1.8580 -0.8947000 3.717000 
1 1 1   31   20    4 o   7.0170   2.0420 -1.465000 4.083000 
1 1 1   31   20    5 o   5.8760   1.8770 1.006000 3.754000 
1 1 1   31   20    6 o   6.0580   1.9130 1.012000 3.827000 
1 1 1   31   20    7 o   10.690   2.1390 0.3366000 4.278000 
1 1 1   31   20    8 o   13.590   1.8630 -3.337000 3.725000 
1 1 1   31   20    9 o   7.9080   2.0530 -3.758000 4.106000 
1 1 1   31   20   10 o   12.230   1.9830 -1.124000 3.966000 
1 1 1   31   20   11 o   18.710   1.4180 -2.182000 2.836000 
1 1 1   31   20   12 o   6.5240   2.0010 -0.2420000 4.001000 
1 1 1   31   20   13 o   9.1710   1.9980 6.623000 3.997000 
1 1 1   31   20   14 o   14.000   1.8370 1.093000 3.674000 
1 1 1   31   20   15 o   8.9510   2.1960 -0.8088000 4.392000 
1 1 1   31   20   16 o   7.3240   2.0970 0.9459000E-01 4.195000 
1 1 1   31   20   17 o   10.750   1.9940 -4.311000 3.988000 
1 1 1   31   20   18 o   6.3870   1.9560 0.1181000 3.912000 
1 1 1   31   20   19 o   13.860   4.2540      ?      ? 
1 1 1   31   21    0 o   7.6750   3.0340 -0.000000 0.000000 
1 1 1   31   21    1 o   7.6340   2.0460 4.285000 4.092000 
1 1 1   31   21    2 o   7.8140   2.1390 2.179000 4.278000 
1 1 1   31   21    3 o   12.530   2.0240 2.416000 4.048000 
1 1 1   31   21    4 o   10.670   2.1680 -1.065000 4.337000 
1 1 1   31   21    5 o   9.4340   2.2060 1.177000 4.412000 
1 1 1   31   21    6 o   12.360   1.9770 -4.219000 3.955000 
1 1 1   31   21    7 o   7.7100   2.1260 0.3218000 4.252000 
1 1 1   31   21    8 o   8.5520   2.1680 -1.500000 4.336000 
1 1 1   31   21    9 o   8.3520   2.1380 -1.770000 4.276000 
1 1 1   31   21   10 o   7.1580   2.0510 -0.7200000 4.101000 
1 1 1   31   21   11 o   5.6440   1.7970 -2.169000 3.595000 
1 1 1   31   21   12 o   8.8380   2.1250 -3.135000 4.249000 
1 1 1   31   21   13 o   17.220   1.4630 2.917000 2.927000 
1 1 1   31   21   14 o   13.850   1.8590 -3.913000 3.718000 
1 1 1   31   21   15 o   10.300   2.0660 -2.328000 4.132000 
1 1 1   31   21   16 o   6.4000   1.9640 0.8378000 3.928000 
1 1 1   31   22    0 o   10.430   3.0990 -0.000000 0.000000 
1 1 1   31   22    1 o   14.610   1.7270 1.598000 3.453000 
1 1 1   31   22    2 o   12.650   1.9560 -3.643000 3.912000 
1 1 1   31   22    3 o   7.8850   2.0990 -2.419000 4.199000 
1 1 1   31   22    4 o   8.8200   2.1280 3.208000 4.256000 
1 1 1   31   22    5 o   8.2410   2.1560 -1.053000 4.313000 
1 1 1   31   22    6 o   7.4400   2.0750 -1.673000 4.150000 
1 1 1   31   22    7 o   10.460   2.1000 -0.6713000 4.201000 
1 1 1   31   22    8 o   10.410   2.0080 4.382000 4.016000 
1 1 1   31   22    9 o   6.3570   1.9480 -0.2792000E-01 3.896000 
1 1 1   31   22   10 o   7.5550   2.0450 2.114000 4.089000 
1 1 1   31   22   11 o   6.5930   1.9380 1.853000 3.877000 
1 1 1   31   22   12 o   13.200   1.7200 -5.122000 3.440000 
1 1 1   31   22   13 o   6.1650   1.8350 2.785000 3.670000 
1 1 1   31   23    0 o   13.160   2.7030 -0.000000 0.000000 
1 1 1   31   23    1 o   5.7710   1.8640 0.6639000 3.728000 
1 1 1   31   23    2 o   8.4710   2.1710 1.473000 4.341000 
1 1 1   31   23    3 o   9.7340   2.0620 4.632000 4.125000 
1 1 1   31   23    4 o   7.0580   2.0010 -2.795000 4.003000 
1 1 1   31   23    5 o   7.1730   2.0530 1.261000 4.107000 
1 1 1   31   23    6 o   8.6040   2.0930 2.685000 4.186000 
1 1 1   31   23    7 o   7.8590   2.0750 1.098000 4.150000 
1 1 1   31   23    8 o   6.9950   2.0010 0.4847000 4.002000 
1 1 1   31   23    9 o   4.9070   1.6420 -0.1643000E-01 3.285000 
1 1 1   32    0    0 f   63.830   0.9715 -0.000000 0.000000 
1 1 1   32    0    1 o   47.870   0.5402 -0.000000 0.000000 
1 1 1   32    0    2 o   16.400   0.6378 -0.000000 0.000000 
1 1 1   32    0    3 o  144.100   1.7370 -0.000000 0.000000 
1 1 1   32    0    4 o   40.000   0.5566 -0.000000 0.000000 
1 1 1   32    0    5 o   62.090   0.7746 -0.000000 0.000000 
1 1 1   32    0    6 o   29.430   0.4990 -0.000000 0.000000 
1 1 1   32    0    7 o  102.300   1.2400 -0.000000 0.000000 
1 1 1   32    0    8 o   38.490   0.6755 -0.000000 0.000000 
1 1 1   32    0    9 o   73.760   1.1130 -0.000000 0.000000 
1 1 1   32    0   10 o   38.600   0.6841 -0.000000 0.000000 
1 1 1   32    0   11 o   46.200   0.7536 -0.000000 0.000000 
1 1 1   32    0   12 o   14.990   0.8250 -0.000000 0.000000 
1 1 1   32    0   13 o   28.170   0.6240 -0.000000 0.000000 
1 1 1   32    0   14 o   32.820   0.6569 -0.000000 0.000000 
1 1 1   32    0   15 o   13.220   1.0250 -0.000000 0.000000 
1 1 1   32    0   16 o   4.9940   1.9050 -0.000000 0.000000 
1 1 1   32    0   17 o   18.140   0.8141 -0.000000 0.000000 
1 1 1   32    0   18 o   19.230   0.7664 -0.000000 0.000000 
1 1 1   32    0   19 o   21.830   0.7188 -0.000000 0.000000 
1 1 1   32    0   20 o   15.640   0.9130 -0.000000 0.000000 
1 1 1   32    0   22 o   62.920   0.9939 -0.000000 0.000000 
1 1 1   32    0   23 f   35.660   0.7315 -0.000000 0.000000 
1 1 1   32    0   24 o   7.3180   1.8530 -0.000000 0.000000 
1 1 1   32    0   25 o   6.4680   2.9380 -0.000000 0.000000 
1 1 1   32    0   26 o   22.620   2.0870 -0.000000 0.000000 
1 1 1   32    0   27 o   10.030   3.5900 -0.000000 0.000000 
1 1 1   32    0   28 o   6.5400   3.0390 -0.000000 0.000000 
1 1 1   32    0   29 f   6.2510   2.9430 -0.000000 0.000000 
1 1 1   32    0   30 o   8.3190   3.4630 -0.000000 0.000000 
1 1 1   32    0   31 o   10.410   3.7850 -0.000000 0.000000 
1 1 1   32    0   32 o   20.470   2.5270 -0.000000 0.000000 
1 1 1   32    0   33 o   15.010   3.2720 -0.000000 0.000000 
1 1 1   32    0   34 o   9.1550   3.5870 -0.000000 0.000000 
1 1 1   32    1    0 f   63.070   0.9635 -0.000000 0.000000 
1 1 1   32    1    1 f   39.430   0.4839 7.708000 0.9678000 
1 1 1   32    1    2 f   17.060   0.5589 -5.324000 1.118000 
1 1 1   32    1    3 o   72.540   0.7730 1.613000 1.546000 
1 1 1   32    1    4 o   15.040   0.5996 3.157000 1.199000 
1 1 1   32    1    5 o   28.640   0.4372 2.204000 0.8744000 
1 1 1   32    1    6 o   52.330   0.5273 2.140000 1.055000 
1 1 1   32    1    7 o   25.160   0.3987 0.2520000 0.7974000 
1 1 1   32    1    8 o   20.080   0.4329 -0.4497000 0.8658000 
1 1 1   32    1    9 o   64.510   0.6325 1.872000 1.265000 
1 1 1   32    1   10 o   49.100   0.5126 -7.315000 1.025000 
1 1 1   32    1   11 o   38.330   0.4359 -3.491000 0.8719000 
1 1 1   32    1   12 o   10.890   0.7404 1.211000 1.481000 
1 1 1   32    1   13 o   47.280   0.4433 3.040000 0.8866000 
1 1 1   32    1   14 o   33.660   0.3815 -3.908000 0.7631000 
1 1 1   32    1   15 o   55.490   0.5043 3.249000 1.009000 
1 1 1   32    1   16 o   40.500   0.4563 -2.514000 0.9126000 
1 1 1   32    1   17 o   21.810   0.4542 -4.523000 0.9083000 
1 1 1   32    1   18 o   50.430   0.5285 -3.302000 1.057000 
1 1 1   32    1   19 o   64.480   0.6384 4.625000 1.277000 
1 1 1   32    1   20 o   40.360   0.4655 -2.078000 0.9309000 
1 1 1   32    1   21 o   13.900   0.6601 -1.659000 1.320000 
1 1 1   32    1   22 o   38.680   0.5228 -0.1728000 1.046000 
1 1 1   32    1   23 o   14.830   0.7713 4.267000 1.543000 
1 1 1   32    1   24 o   49.850   0.5573 0.9085000 1.115000 
1 1 1   32    1   25 o   18.730   1.2170 2.234000 2.434000 
1 1 1   32    1   26 o   11.420   1.8280 -4.198000 3.656000 
1 1 1   32    1   27 o   21.670   1.5700 3.087000 3.140000 
1 1 1   32    1   28 o   35.560   1.1600 0.2351000 2.320000 
1 1 1   32    1   29 o   7.9650   2.4300 0.9371000 4.861000 
1 1 1   32    1   30 o   20.850   1.7780 2.030000 3.556000 
1 1 1   32    1   31 o   13.140   2.5630 -3.694000 5.125000 
1 1 1   32    1   32 o   7.6610   2.3500 -0.5707000 4.700000 
1 1 1   32    1   33 o   10.280   2.5850 0.1898000 5.171000 
1 1 1   32    1   34 o   8.5620   2.4610 -1.546000 4.921000 
1 1 1   32    2    0 o   22.860   0.6597 -0.000000 0.000000 
1 1 1   32    2    1 o  116.700   1.2220 -1.423000 2.444000 
1 1 1   32    2    2 o   38.690   0.4772 6.082000 0.9544000 
1 1 1   32    2    3 o   44.000   0.5142 -6.708000 1.028000 
1 1 1   32    2    4 o   35.340   0.4552 -3.909000 0.9105000 
1 1 1   32    2    5 o   39.040   0.4803 -3.465000 0.9606000 
1 1 1   32    2    6 o   8.3710   1.0670 0.2649000 2.133000 
1 1 1   32    2    7 o   23.700   0.4614 -0.3300000 0.9227000 
1 1 1   32    2    8 o   29.590   0.4443 -7.184000 0.8885000 
1 1 1   32    2    9 o   61.230   0.6667 -4.911000 1.333000 
1 1 1   32    2   10 o   51.230   0.5756 -5.673000 1.151000 
1 1 1   32    2   11 o   47.120   0.5426 -1.559000 1.085000 
1 1 1   32    2   12 o   28.440   0.4493 -1.207000 0.8985000 
1 1 1   32    2   13 o   23.990   0.4766 -7.527000 0.9532000 
1 1 1   32    2   14 o   27.840   0.4708 2.920000 0.9416000 
1 1 1   32    2   15 o   5.8450   1.3660 1.148000 2.731000 
1 1 1   32    2   16 o   46.790   0.5493 -3.147000 1.099000 
1 1 1   32    2   17 o   23.620   0.4655 0.2885000 0.9310000 
1 1 1   32    2   18 o   29.690   0.4555 5.765000 0.9110000 
1 1 1   32    2   19 o   62.760   0.6347 -1.427000 1.269000 
1 1 1   32    2   20 o   51.220   0.5447 -0.9592000 1.089000 
1 1 1   32    2   21 o   12.940   0.9128 -1.102000 1.826000 
1 1 1   32    2   22 o   13.930   0.8251 2.849000 1.650000 
1 1 1   32    2   23 o   62.340   0.7620 1.538000 1.524000 
1 1 1   32    2   24 o   21.790   0.5393 -1.769000 1.079000 
1 1 1   32    2   25 o   40.910   0.5749 -0.5112000 1.150000 
1 1 1   32    2   26 o   42.320   0.5810 -1.707000 1.162000 
1 1 1   32    2   27 f   28.190   0.5664 -0.9659000 1.133000 
1 1 1   32    2   28 o   22.130   0.6043 0.1675000 1.209000 
1 1 1   32    2   29 o   35.130   1.1520 -0.3581000 2.304000 
1 1 1   32    2   30 o   16.060   2.1560 -12.46000 4.312000 
1 1 1   32    2   31 o   15.350   2.4220 0.7903000E-01 4.844000 
1 1 1   32    2   32 o   8.7600   2.4150 4.866000 4.829000 
1 1 1   32    2   33 o   12.950   2.4100 3.086000 4.820000 
1 1 1   32    2   34 f   13.560   2.3010 2.759000 4.602000 
1 1 1   32    3    0 o   59.230   0.9131 -0.000000 0.000000 
1 1 1   32    3    1 o   81.810   0.8672 4.807000 1.734000 
1 1 1   32    3    2 f  109.400   1.1480 -2.920000 2.296000 
1 1 1   32    3    3 o   51.390   0.5764 -0.3249000 1.153000 
1 1 1   32    3    4 o   43.380   0.5136 -1.280000 1.027000 
1 1 1   32    3    5 o   16.040   0.6013 -1.039000 1.203000 
1 1 1   32    3    6 o   58.930   0.6460 -1.218000 1.292000 
1 1 1   32    3    7 o   27.980   0.4621 0.8703000 0.9242000 
1 1 1   32    3    8 o   36.540   0.4805 6.371000 0.9610000 
1 1 1   32    3    9 o   21.440   0.4978 0.6565000 0.9955000 
1 1 1   32    3   10 o   4.6920   1.3100 -0.4037000 2.620000 
1 1 1   32    3   11 o   5.9880   1.2670 3.065000 2.535000 
1 1 1   32    3   12 o   4.5690   1.2890 -1.480000 2.577000 
1 1 1   32    3   13 o   42.470   0.5148 0.7290000 1.030000 
1 1 1   32    3   14 o   13.750   0.9562 9.374000 1.912000 
1 1 1   32    3   15 o   24.790   0.5009 -2.761000 1.002000 
1 1 1   32    3   16 o   16.580   1.0130      ?      ? 
1 1 1   32    3   17 o   12.720   1.3190      ?      ? 
1 1 1   32    3   18 o   61.940   0.6874 0.2711000 1.375000 
1 1 1   32    3   19 o   48.270   0.5798 0.9753000 1.160000 
1 1 1   32    3   20 o   19.320   0.6298 1.447000 1.260000 
1 1 1   32    3   21 o   26.600   0.5212 0.2926000 1.042000 
1 1 1   32    3   22 o   37.220   0.5578 -1.750000 1.116000 
1 1 1   32    3   23 o   34.210   0.5171 -0.8166000 1.034000 
1 1 1   32    3   24 o   13.560   0.9257 -0.8294000 1.851000 
1 1 1   32    3   25 f   13.820   0.8372 -6.545000 1.674000 
1 1 1   32    3   26 o   35.900   0.5171 1.096000 1.034000 
1 1 1   32    3   27 f   8.7640   1.6730 -2.375000 3.347000 
1 1 1   32    3   28 o   13.030   1.4610 4.024000 2.922000 
1 1 1   32    3   29 f   24.030   0.7761 -2.171000 1.552000 
1 1 1   32    3   30 o   9.9840   2.0710 -0.9447000 4.141000 
1 1 1   32    3   31 o   11.180   1.9630 -6.293000 3.926000 
1 1 1   32    3   32 o   20.220   1.2360 -1.537000 2.473000 
1 1 1   32    3   33 o   6.5060   1.9010 -4.463000 3.802000 
1 1 1   32    3   34 f   9.4890   2.4370 4.405000 4.874000 
1 1 1   32    4    0 o   53.430   0.8488 -0.000000 0.000000 
1 1 1   32    4    1 o   46.130   0.5400 -2.808000 1.080000 
1 1 1   32    4    2 o   19.540   0.5972 -10.24000 1.194000 
1 1 1   32    4    3 o   81.580   0.8666 -1.089000 1.733000 
1 1 1   32    4    4 o   90.800   0.9597 -1.475000 1.919000 
1 1 1   32    4    5 o   54.740   0.6150 2.864000 1.230000 
1 1 1   32    4    6 o   20.120   0.5816 6.263000 1.163000 
1 1 1   32    4    7 o   35.250   0.4864 8.586000 0.9729000 
1 1 1   32    4    8 o   35.810   0.4866 -1.771000 0.9732000 
1 1 1   32    4    9 o   40.480   0.5104 -4.735000 1.021000 
1 1 1   32    4   10 o   29.470   0.4819 1.868000 0.9637000 
1 1 1   32    4   11 o   43.540   0.5342 -4.805000 1.068000 
1 1 1   32    4   12 o   26.570   0.5065 -3.229000 1.013000 
1 1 1   32    4   13 o   7.8770   1.3480 2.832000 2.696000 
1 1 1   32    4   14 o   37.360   0.5174 -0.1158000 1.035000 
1 1 1   32    4   15 o   25.100   0.5396 3.031000 1.079000 
1 1 1   32    4   16 o   30.410   0.5187 -1.741000 1.037000 
1 1 1   32    4   17 o   33.240   0.5210 1.290000 1.042000 
1 1 1   32    4   18 f   29.390   0.5057 3.190000 1.011000 
1 1 1   32    4   19 o   39.380   0.5018 1.940000 1.004000 
1 1 1   32    4   20 o   13.910   0.9306 1.774000 1.861000 
1 1 1   32    4   21 f   61.510   0.6357 2.060000 1.271000 
1 1 1   32    4   22 o   19.210   0.8231 1.505000 1.646000 
1 1 1   32    4   23 o   29.720   0.6269 -1.799000 1.254000 
1 1 1   32    4   24 o   23.270   0.6561 -0.6503000 1.312000 
1 1 1   32    4   25 o   45.370   0.5743 -0.5192000 1.149000 
1 1 1   32    4   26 o   19.560   0.8171 0.4818000 1.634000 
1 1 1   32    4   27 o   23.970   0.7259 3.526000 1.452000 
1 1 1   32    4   28 o   18.750   0.9078 0.8145000 1.816000 
1 1 1   32    4   29 o   34.160   0.5843 -1.178000 1.169000 
1 1 1   32    4   30 o   16.910   1.1170 -1.118000 2.234000 
1 1 1   32    4   31 o   8.0500   1.8640 -0.8145000 3.728000 
1 1 1   32    4   32 f   8.8870   2.0130 1.834000 4.027000 
1 1 1   32    4   33 o   9.8600   2.1460      ?      ? 
1 1 1   32    5    0 o   14.980   1.0130 -0.000000 0.000000 
1 1 1   32    5    1 o   65.490   0.7141 -2.427000 1.428000 
1 1 1   32    5    2 o   78.590   0.8399 1.707000 1.680000 
1 1 1   32    5    3 o   33.410   0.4897 -3.250000 0.9795000 
1 1 1   32    5    4 o   35.130   0.5013 -0.7427000 1.003000 
1 1 1   32    5    5 o   27.530   0.7273      ?      ? 
1 1 1   32    5    6 o   27.910   0.5138 1.368000 1.028000 
1 1 1   32    5    7 o   13.190   0.9062 -5.394000 1.812000 
1 1 1   32    5    8 o   73.750   0.7945 7.041000 1.589000 
1 1 1   32    5    9 o   18.560   0.6662 -3.287000 1.332000 
1 1 1   32    5   10 o   59.910   0.6695 0.9707000 1.339000 
1 1 1   32    5   11 o   45.100   0.5575 -0.2412000 1.115000 
1 1 1   32    5   12 o   8.1350   1.4230 -0.1391000 2.846000 
1 1 1   32    5   13 o   23.470   0.5808 1.926000 1.162000 
1 1 1   32    5   14 o   35.100   0.5342 2.714000 1.068000 
1 1 1   32    5   15 o   11.510   1.1660 1.542000 2.332000 
1 1 1   32    5   16 o   16.030   0.7509 -0.2670000 1.502000 
1 1 1   32    5   17 o   33.380   0.4970 2.604000 0.9939000 
1 1 1   32    5   18 o   42.490   0.5733 1.543000 1.147000 
1 1 1   32    5   19 o   38.470   0.5159 -0.3021000 1.032000 
1 1 1   32    5   20 o   29.080   0.5428 -3.112000 1.086000 
1 1 1   32    5   21 o   32.510   0.5445 -2.716000 1.089000 
1 1 1   32    5   22 o   35.110   0.5586 1.607000 1.117000 
1 1 1   32    5   23 f   53.390   0.6062 -1.950000 1.212000 
1 1 1   32    5   24 o   36.640   0.5758 -0.1562000 1.152000 
1 1 1   32    5   25 o   12.800   1.4520 5.737000 2.904000 
1 1 1   32    5   26 o   6.5990   2.2160      ?      ? 
1 1 1   32    5   27 o   22.110   0.7938 -0.8431000 1.588000 
1 1 1   32    5   28 o   19.170   0.9620 0.5795000 1.924000 
1 1 1   32    5   29 o   22.970   0.8070 -4.015000 1.614000 
1 1 1   32    5   30 o   17.770   1.1130 2.983000 2.226000 
1 1 1   32    5   31 o   9.9480   1.5510 1.321000 3.102000 
1 1 1   32    5   32 o   6.9950   1.4710 2.843000 2.943000 
1 1 1   32    5   33 o   13.340   2.0430 1.897000 4.086000 
1 1 1   32    6    0 o   96.870   1.4510 -0.000000 0.000000 
1 1 1   32    6    1 o   52.440   0.6101 0.3812000E-01 1.220000 
1 1 1   32    6    2 o   29.800   0.5328 -7.031000 1.066000 
1 1 1   32    6    3 o   51.440   0.6016 -5.654000 1.203000 
1 1 1   32    6    4 o   33.420   0.5198 1.505000 1.040000 
1 1 1   32    6    5 o   38.030   0.5214 -1.429000 1.043000 
1 1 1   32    6    6 o   19.850   0.6372 -0.5000000 1.274000 
1 1 1   32    6    7 o   36.870   0.5164 1.465000 1.033000 
1 1 1   32    6    8 o   41.890   0.5393 4.503000 1.079000 
1 1 1   32    6    9 o   27.090   0.5565 2.383000 1.113000 
1 1 1   32    6   10 o   16.230   0.8305 -2.349000 1.661000 
1 1 1   32    6   11 o   22.980   0.6226 3.760000 1.245000 
1 1 1   32    6   12 o   19.630   0.6305 -5.025000 1.261000 
1 1 1   32    6   13 o   12.360   0.9861 -2.771000 1.972000 
1 1 1   32    6   14 o   23.220   0.5935 -0.3321000 1.187000 
1 1 1   32    6   15 o   30.480   0.5729 -6.140000 1.146000 
1 1 1   32    6   16 o   47.330   0.5427 1.064000 1.085000 
1 1 1   32    6   17 o   38.740   0.5192 -2.473000 1.038000 
1 1 1   32    6   18 o   11.290   1.2400 -4.963000 2.480000 
1 1 1   32    6   19 o   27.850   0.6622 0.1399000E-01 1.324000 
1 1 1   32    6   20 o   14.930   0.9690 -1.125000 1.938000 
1 1 1   32    6   21 o   22.720   0.7039 1.013000 1.408000 
1 1 1   32    6   22 o   9.4000   1.5460 -7.461000 3.093000 
1 1 1   32    6   23 o   9.4550   1.5950 5.213000 3.189000 
1 1 1   32    6   24 o   23.610   0.7714 -1.851000 1.543000 
1 1 1   32    6   25 o   27.090   0.7039 -2.551000 1.408000 
1 1 1   32    6   26 f   12.200   1.5100 -1.251000 3.021000 
1 1 1   32    6   27 o   29.740   0.7756 -4.590000 1.551000 
1 1 1   32    6   28 o   19.880   1.0580 1.850000 2.117000 
1 1 1   32    6   29 o   25.390   0.8144 2.281000 1.629000 
1 1 1   32    6   30 o   10.310   1.8700 -3.219000 3.740000 
1 1 1   32    6   31 o   7.8970   1.8610 -2.253000 3.722000 
1 1 1   32    6   32 o   11.580   1.4860 -1.147000 2.972000 
1 1 1   32    6   33 o   15.380   1.0680 0.9814000 2.136000 
1 1 1   32    7    0 o   54.550   0.8923 -0.000000 0.000000 
1 1 1   32    7    1 o   46.260   0.5752 -0.5320000 1.150000 
1 1 1   32    7    2 o   13.400   1.0670 -6.226000 2.134000 
1 1 1   32    7    3 o   26.100   0.5862 0.6961000E-01 1.172000 
1 1 1   32    7    4 o   36.090   0.5410 0.5743000E-01 1.082000 
1 1 1   32    7    5 o   17.940   0.8224 -8.198000 1.645000 
1 1 1   32    7    6 o   16.190   0.8689 5.647000 1.738000 
1 1 1   32    7    7 o   5.2790   1.4750 2.439000 2.950000 
1 1 1   32    7    8 o   36.150   0.5415 0.4712000 1.083000 
1 1 1   32    7    9 o   50.040   0.6083 0.2010000 1.217000 
1 1 1   32    7   10 o   9.7010   1.3300 5.124000 2.661000 
1 1 1   32    7   11 o   28.470   0.6720      ?      ? 
1 1 1   32    7   12 o   29.340   0.5359 0.4118000 1.072000 
1 1 1   32    7   13 o   18.830   0.7192 0.2081000 1.438000 
1 1 1   32    7   14 o   20.830   0.7029 5.254000 1.406000 
1 1 1   32    7   15 o   13.270   1.0270 1.642000 2.053000 
1 1 1   32    7   16 o   34.360   0.5357 -2.127000 1.071000 
1 1 1   32    7   17 o   5.0940   1.5570 -1.792000 3.115000 
1 1 1   32    7   18 o   21.630   0.8190 -0.2419000 1.638000 
1 1 1   32    7   19 o   34.670   0.5690 0.5592000 1.138000 
1 1 1   32    7   20 o   8.8610   1.6330 2.644000 3.266000 
1 1 1   32    7   21 o   11.250   1.4730 -4.990000 2.946000 
1 1 1   32    7   22 o   15.770   1.0890 1.386000 2.178000 
1 1 1   32    7   23 o   35.140   0.6812 -3.450000 1.362000 
1 1 1   32    7   24 o   21.260   0.8797 -1.404000 1.759000 
1 1 1   32    7   25 o   22.010   0.9309 3.495000 1.862000 
1 1 1   32    7   26 o   33.970   0.6799 -0.1209000 1.360000 
1 1 1   32    7   27 o   29.430   0.7412 -0.3482000 1.482000 
1 1 1   32    7   28 o   15.650   1.4640 1.998000 2.927000 
1 1 1   32    7   29 o   14.990   1.3250 -3.247000 2.650000 
1 1 1   32    7   30 o   18.330   1.1370 1.395000 2.274000 
1 1 1   32    7   31 o   9.2270   1.7970 1.989000 3.594000 
1 1 1   32    7   32 o   20.220   0.9370 1.819000 1.874000 
1 1 1   32    8    0 o   86.290   1.3100 -0.000000 0.000000 
1 1 1   32    8    1 o   7.4260   1.6590 -0.3074000 3.319000 
1 1 1   32    8    2 o   22.210   0.6751 0.6516000 1.350000 
1 1 1   32    8    3 o   37.110   0.5683 -6.309000 1.137000 
1 1 1   32    8    4 o   18.890   0.8113 -3.439000 1.623000 
1 1 1   32    8    5 o   23.610   0.6615 2.795000 1.323000 
1 1 1   32    8    6 f   29.960   0.5393 -8.666000 1.079000 
1 1 1   32    8    7 o   15.190   0.8914 3.882000 1.783000 
1 1 1   32    8    8 o   29.560   0.5402 -3.400000 1.080000 
1 1 1   32    8    9 o   11.520   1.1960 1.429000 2.392000 
1 1 1   32    8   10 o   35.380   0.5308 -0.3979000 1.062000 
1 1 1   32    8   11 o   29.470   0.5710 -6.499000 1.142000 
1 1 1   32    8   12 o   30.350   0.5651 -5.082000 1.130000 
1 1 1   32    8   13 o   26.160   0.6068 -0.7069000 1.214000 
1 1 1   32    8   14 o   9.7410   1.4570 -3.267000 2.914000 
1 1 1   32    8   15 o   52.630   0.5925 -0.8997000 1.185000 
1 1 1   32    8   16 o   54.280   0.6009 -0.6523000E-03 1.202000 
1 1 1   32    8   17 o   30.890   0.5885 1.063000 1.177000 
1 1 1   32    8   18 o   21.350   0.7790 3.754000 1.558000 
1 1 1   32    8   19 o   53.140   0.6148 -0.9600000 1.230000 
1 1 1   32    8   20 o   24.560   0.7443 -1.303000 1.489000 
1 1 1   32    8   21 o   21.120   0.8665 -2.440000 1.733000 
1 1 1   32    8   22 o   30.300   0.6957 2.106000 1.391000 
1 1 1   32    8   23 o   16.710   1.1770 0.6416000 2.354000 
1 1 1   32    8   24 o   18.190   1.2960 4.270000 2.592000 
1 1 1   32    8   25 o   45.900   0.6438 0.1454000 1.288000 
1 1 1   32    8   26 o   33.970   0.7047 0.1712000E-01 1.409000 
1 1 1   32    8   27 o   9.5480   1.9550 -0.9516000 3.911000 
1 1 1   32    8   28 o   15.780   1.3750 1.020000 2.750000 
1 1 1   32    8   29 o   19.370   1.1100 -0.3733000 2.219000 
1 1 1   32    8   30 o   16.120   1.2100 -3.089000 2.420000 
1 1 1   32    8   31 o   13.540   1.5120 2.235000 3.025000 
1 1 1   32    8   32 o   11.160   1.6410 -2.612000 3.282000 
1 1 1   32    9    0 o   15.140   1.4620 -0.000000 0.000000 
1 1 1   32    9    1 o   26.280   0.6705 3.814000 1.341000 
1 1 1   32    9    2 o   57.900   0.6811 0.8950000 1.362000 
1 1 1   32    9    3 o   14.630   0.9790 -4.264000 1.958000 
1 1 1   32    9    4 o   22.970   0.6616 -1.649000 1.323000 
1 1 1   32    9    5 o   77.530   0.7732 0.6247000 1.546000 
1 1 1   32    9    6 o   41.820   0.5472 1.096000 1.094000 
1 1 1   32    9    7 o   27.720   0.5893 0.5918000 1.179000 
1 1 1   32    9    8 o   10.030   1.4410 -2.937000 2.882000 
1 1 1   32    9    9 o   33.750   0.5556 -1.154000 1.111000 
1 1 1   32    9   10 f   26.480   0.6076 -2.988000 1.215000 
1 1 1   32    9   11 o   27.810   0.6126 0.6395000E-01 1.225000 
1 1 1   32    9   12 o   33.220   0.5681 0.4131000 1.136000 
1 1 1   32    9   13 o   27.610   0.6218 -0.8946000 1.244000 
1 1 1   32    9   14 o   41.330   0.5690 0.2639000 1.138000 
1 1 1   32    9   15 o   23.180   0.7299 -3.562000 1.460000 
1 1 1   32    9   16 o   33.100   0.6752 -4.260000 1.350000 
1 1 1   32    9   17 o   18.780   0.9044 -0.9997000 1.809000 
1 1 1   32    9   18 o   37.890   0.6067 0.7832000 1.213000 
1 1 1   32    9   19 o   12.750   1.4430 1.900000 2.887000 
1 1 1   32    9   20 o   14.280   1.3650 2.144000 2.731000 
1 1 1   32    9   21 o   13.970   1.4440 2.563000 2.888000 
1 1 1   32    9   22 o   23.980   0.8778 1.326000 1.756000 
1 1 1   32    9   23 o   36.610   0.6949 2.109000 1.390000 
1 1 1   32    9   24 o   9.0740   1.9540 -5.127000 3.907000 
1 1 1   32    9   25 o   17.080   1.2990 0.2218000 2.599000 
1 1 1   32    9   26 o   27.390   0.8381 -2.060000 1.676000 
1 1 1   32    9   27 o   23.960   0.9687 1.857000 1.937000 
1 1 1   32    9   28 o   14.920   1.4730 0.5463000 2.946000 
1 1 1   32    9   29 o   20.350   1.0320 -0.6978000 2.065000 
1 1 1   32    9   30 o   16.050   1.2390 -2.615000 2.478000 
1 1 1   32    9   31 o   7.0270   1.7400 3.411000 3.480000 
1 1 1   32   10    0 o   20.540   1.0030 -0.000000 0.000000 
1 1 1   32   10    1 o   67.740   0.6288 1.343000 1.258000 
1 1 1   32   10    2 o   54.300   0.5504 3.297000 1.101000 
1 1 1   32   10    3 o   32.260   0.5974 6.427000 1.195000 
1 1 1   32   10    4 o   31.420   0.5865 -0.1695000 1.173000 
1 1 1   32   10    5 o   64.580   0.6799 3.646000 1.360000 
1 1 1   32   10    6 o   42.980   0.5723 -5.345000 1.145000 
1 1 1   32   10    7 o   14.750   1.2190 3.623000 2.438000 
1 1 1   32   10    8 o   36.140   0.5749 0.2579000 1.150000 
1 1 1   32   10    9 o   31.420   0.5972 -2.016000 1.194000 
1 1 1   32   10   10 o   46.850   0.5810 0.5242000 1.162000 
1 1 1   32   10   11 o   32.110   0.6062 -5.242000 1.212000 
1 1 1   32   10   12 o   45.280   0.5856 -3.171000 1.171000 
1 1 1   32   10   13 o   41.640   0.5901 1.390000 1.180000 
1 1 1   32   10   14 o   32.650   0.6216 0.3320000E-01 1.243000 
1 1 1   32   10   15 o   33.250   0.6366 -0.7321000 1.273000 
1 1 1   32   10   16 o   36.580   0.6226 0.1194000 1.245000 
1 1 1   32   10   17 o   21.460   0.8764 1.495000 1.753000 
1 1 1   32   10   18 f   10.170   1.9280 4.185000 3.857000 
1 1 1   32   10   19 o   37.500   0.5752 -0.3389000 1.150000 
1 1 1   32   10   20 o   7.3410   1.8500 0.8925000 3.700000 
1 1 1   32   10   21 o   17.410   1.0630 1.211000 2.126000 
1 1 1   32   10   22 o   16.300   1.4020 -2.542000 2.803000 
1 1 1   32   10   23 o   16.220   1.2180 -1.920000 2.436000 
1 1 1   32   10   24 o   5.7310   1.7390 -1.568000 3.477000 
1 1 1   32   10   25 o   6.4540   1.8310 -1.395000 3.661000 
1 1 1   32   10   26 o   13.660   1.4330 0.1009000 2.866000 
1 1 1   32   10   27 f   18.060   1.0480 0.5199000 2.096000 
1 1 1   32   10   28 o   5.4600   1.6860 -0.4557000 3.373000 
1 1 1   32   10   29 o   7.4900   1.8500 -0.5404000 3.700000 
1 1 1   32   10   30 o   10.950   1.8360 1.565000 3.673000 
1 1 1   32   10   31 o   7.3210   1.9540 -2.547000 3.908000 
1 1 1   32   11    0 f   12.240   1.7530 -0.000000 0.000000 
1 1 1   32   11    1 o   31.080   0.5724 -1.092000 1.145000 
1 1 1   32   11    2 o   25.340   0.6549 3.079000 1.310000 
1 1 1   32   11    3 o   34.600   0.5535 -2.487000 1.107000 
1 1 1   32   11    4 o   25.990   0.6520 3.794000 1.304000 
1 1 1   32   11    5 o   40.900   0.5375 -3.080000 1.075000 
1 1 1   32   11    6 o   29.680   0.6001 -1.918000 1.200000 
1 1 1   32   11    7 f   32.830   0.5719 1.961000 1.144000 
1 1 1   32   11    8 o   29.320   0.7064 -2.639000 1.413000 
1 1 1   32   11    9 o   50.590   0.6109 1.810000 1.222000 
1 1 1   32   11   10 o   29.410   0.6708 -3.301000 1.342000 
1 1 1   32   11   11 o   19.050   0.9345 -0.2467000E-01 1.869000 
1 1 1   32   11   12 o   44.160   0.5394 1.796000 1.079000 
1 1 1   32   11   13 o   34.320   0.5751 -2.764000 1.150000 
1 1 1   32   11   14 o   7.1730   1.7530 2.975000 3.507000 
1 1 1   32   11   15 o   23.770   0.7579 2.838000 1.516000 
1 1 1   32   11   16 o   23.100   0.7864 1.809000 1.573000 
1 1 1   32   11   17 o   11.010   1.6720 1.704000 3.344000 
1 1 1   32   11   18 o   48.680   0.5868 -0.4778000 1.174000 
1 1 1   32   11   19 o   34.720   0.6371 -3.633000 1.274000 
1 1 1   32   11   20 o   20.720   1.0170 1.367000 2.034000 
1 1 1   32   11   21 o   17.910   1.1300 1.260000 2.260000 
1 1 1   32   11   22 o   26.270   0.8191 0.8108000 1.638000 
1 1 1   32   11   23 o   11.390   1.8190 3.676000 3.639000 
1 1 1   32   11   24 f   16.950   1.4250 -0.3819000 2.850000 
1 1 1   32   11   25 o   11.710   1.7440 5.930000 3.488000 
1 1 1   32   11   26 o   13.780   1.5100 1.054000 3.020000 
1 1 1   32   11   27 f   4.8790   1.6120 -0.6577000 3.224000 
1 1 1   32   11   28 o   12.630   1.5780 -0.9063000E-02 3.157000 
1 1 1   32   11   29 o   8.6710   1.9180 1.206000 3.836000 
1 1 1   32   11   30 o   5.4960   1.6940 0.7004000 3.388000 
1 1 1   32   12    0 o   36.040   0.8109 -0.000000 0.000000 
1 1 1   32   12    1 o   54.260   0.5861 7.013000 1.172000 
1 1 1   32   12    2 o   6.1120   1.7430 0.7178000 3.485000 
1 1 1   32   12    3 o   23.150   0.7602 -1.284000 1.520000 
1 1 1   32   12    4 o   17.630   0.9812 1.425000 1.962000 
1 1 1   32   12    5 o   24.070   0.7297 -1.222000 1.459000 
1 1 1   32   12    6 o   36.500   0.5834 -4.671000 1.167000 
1 1 1   32   12    7 o   9.4280   1.5830 5.034000 3.166000 
1 1 1   32   12    8 o   20.940   0.7806 -2.908000 1.561000 
1 1 1   32   12    9 o   25.400   0.6850 -0.8791000E-02 1.370000 
1 1 1   32   12   10 o   46.360   0.5289 -1.247000 1.058000 
1 1 1   32   12   11 o   17.680   1.1600 -1.801000 2.320000 
1 1 1   32   12   12 o   26.360   0.6824 -0.7967000 1.365000 
1 1 1   32   12   13 o   19.150   0.9053 3.470000 1.811000 
1 1 1   32   12   14 o   10.260   1.5650 7.938000 3.131000 
1 1 1   32   12   15 o   19.000   0.9547 2.492000 1.909000 
1 1 1   32   12   16 o   19.170   0.9902 0.4115000 1.980000 
1 1 1   32   12   17 o   23.740   0.8261 -0.7760000E-01 1.652000 
1 1 1   32   12   18 o   7.2190   2.0230 1.829000 4.045000 
1 1 1   32   12   19 o   15.150   1.7720 4.764000 3.543000 
1 1 1   32   12   20 o   25.150   0.8693 0.9377000 1.739000 
1 1 1   32   12   21 o   30.900   0.7545 0.2572000 1.509000 
1 1 1   32   12   22 o   8.6490   1.9680 4.426000 3.935000 
1 1 1   32   12   23 o   13.560   1.6620 0.3632000 3.324000 
1 1 1   32   12   24 o   21.230   1.0600 -3.909000 2.121000 
1 1 1   32   12   25 o   16.400   1.3290 -1.830000 2.657000 
1 1 1   32   12   26 o   10.850   1.9250 -0.6429000 3.849000 
1 1 1   32   12   27 o   6.2010   1.8080 -2.858000 3.616000 
1 1 1   32   12   28 o   8.2720   1.9840 -1.077000 3.968000 
1 1 1   32   12   29 o   10.120   1.8610 0.3184000 3.722000 
1 1 1   32   13    0 o   9.6950   2.5380 -0.000000 0.000000 
1 1 1   32   13    1 o   23.060   0.8242 -1.300000 1.648000 
1 1 1   32   13    2 o   58.710   0.6141 0.5300000E-01 1.228000 
1 1 1   32   13    3 o   43.210   0.5918 1.997000 1.184000 
1 1 1   32   13    4 o   9.9210   1.6990 1.787000 3.398000 
1 1 1   32   13    5 o   17.860   0.9555 1.415000 1.911000 
1 1 1   32   13    6 f   34.190   0.5856 3.951000 1.171000 
1 1 1   32   13    7 o   12.580   1.3960 3.972000 2.791000 
1 1 1   32   13    8 o   11.200   1.5780 -5.429000 3.157000 
1 1 1   32   13    9 o   49.720   0.5538 1.294000 1.108000 
1 1 1   32   13   10 o   16.960   1.0340 -0.4377000 2.068000 
1 1 1   32   13   11 o   60.590   0.5860 -1.045000 1.172000 
1 1 1   32   13   12 o   56.880   0.5789 0.9721000 1.158000 
1 1 1   32   13   13 o   30.870   0.6575 3.731000 1.315000 
1 1 1   32   13   14 o   17.880   1.1050 -2.850000 2.209000 
1 1 1   32   13   15 o   34.190   0.6354 -0.3055000 1.271000 
1 1 1   32   13   16 o   12.050   1.6610 2.719000 3.322000 
1 1 1   32   13   17 o   39.770   0.6142 0.1131000 1.228000 
1 1 1   32   13   18 o   16.250   1.3310 -2.176000 2.663000 
1 1 1   32   13   19 o   6.8670   1.9620 1.391000 3.924000 
1 1 1   32   13   20 o   18.540   1.2340 -4.009000 2.468000 
1 1 1   32   13   21 o   24.650   0.9305 -1.447000 1.861000 
1 1 1   32   13   22 o   7.8700   2.0560 -0.7843000 4.111000 
1 1 1   32   13   23 o   18.610   1.1670 1.626000 2.334000 
1 1 1   32   13   24 o   18.100   1.1990 -1.073000 2.398000 
1 1 1   32   13   25 o   16.010   1.3380 1.432000 2.675000 
1 1 1   32   13   26 o   9.5020   1.5970 9.335000 3.194000 
1 1 1   32   13   27 o   7.3810   1.9830 0.7644000 3.967000 
1 1 1   32   13   28 o   10.350   1.8390 4.334000 3.677000 
1 1 1   32   14    0 o   46.580   0.8579 -0.000000 0.000000 
1 1 1   32   14    1 o   44.040   0.6103 3.548000 1.221000 
1 1 1   32   14    2 o   29.400   0.6837 1.428000 1.367000 
1 1 1   32   14    3 o   15.390   1.2140 -1.816000 2.428000 
1 1 1   32   14    4 f   8.8260   1.8820 1.483000 3.764000 
1 1 1   32   14    5 o   22.330   0.8635 3.897000 1.727000 
1 1 1   32   14    6 o   21.860   0.8603 2.090000 1.721000 
1 1 1   32   14    7 o   33.440   0.6311 1.214000 1.262000 
1 1 1   32   14    8 o   38.220   0.5978 -0.1904000 1.196000 
1 1 1   32   14    9 o   6.5390   1.8290 2.865000 3.659000 
1 1 1   32   14   10 o   20.630   0.9389 2.985000 1.878000 
1 1 1   32   14   11 o   15.890   1.4780 0.3038000 2.956000 
1 1 1   32   14   12 o   11.670   1.6990 0.7452000 3.397000 
1 1 1   32   14   13 o   16.230   1.3200 -3.399000 2.640000 
1 1 1   32   14   14 o   23.810   0.8769 3.783000 1.754000 
1 1 1   32   14   15 o   10.740   1.8250 -4.110000 3.649000 
1 1 1   32   14   16 o   39.070   0.7725 2.371000 1.545000 
1 1 1   32   14   17 o   9.3760   1.5680 10.25000 3.136000 
1 1 1   32   14   18 o   14.830   1.5270 3.237000 3.054000 
1 1 1   32   14   19 o   21.240   1.0970 -1.758000 2.194000 
1 1 1   32   14   20 o   18.860   1.2250 -1.197000 2.450000 
1 1 1   32   14   21 o   28.580   0.8327 -0.8896000E-01 1.665000 
1 1 1   32   14   22 o   20.330   1.1330 2.254000 2.266000 
1 1 1   32   14   23 o   8.7770   2.0740 2.701000 4.148000 
1 1 1   32   14   24 o   10.890   1.9650 1.691000 3.929000 
1 1 1   32   14   25 o   13.370   1.6600 -2.222000 3.320000 
1 1 1   32   14   26 o   10.130   1.8180 6.158000 3.636000 
1 1 1   32   14   27 o   6.5420   1.8810 1.988000 3.761000 
1 1 1   32   15    0 f   42.420   0.7664 -0.000000 0.000000 
1 1 1   32   15    1 o   19.740   0.9189 3.480000 1.838000 
1 1 1   32   15    2 o   20.450   0.9611 0.2467000 1.922000 
1 1 1   32   15    3 o   6.6050   1.8660 2.391000 3.732000 
1 1 1   32   15    4 o   25.710   0.8044 -0.4922000 1.609000 
1 1 1   32   15    5 o   12.400   1.6330 2.788000 3.266000 
1 1 1   32   15    6 o   16.560   1.2370 -1.578000 2.475000 
1 1 1   32   15    7 o   24.770   0.8318 0.9834000 1.664000 
1 1 1   32   15    8 o   16.790   1.2420 -1.224000 2.483000 
1 1 1   32   15    9 o   16.340   1.2970 -0.7668000E-03 2.595000 
1 1 1   32   15   10 o   9.7700   1.9540 0.4442000 3.908000 
1 1 1   32   15   11 o   19.570   1.0940 0.6514000 2.188000 
1 1 1   32   15   12 f   14.890   1.4500 1.824000 2.900000 
1 1 1   32   15   13 o   11.370   1.8590 5.459000 3.719000 
1 1 1   32   15   14 o   15.550   1.4740 -1.211000 2.947000 
1 1 1   32   15   15 o   13.770   1.6590 4.277000 3.318000 
1 1 1   32   15   16 o   6.3200   1.9170 2.060000 3.835000 
1 1 1   32   15   17 o   14.950   1.6390 -3.676000 3.278000 
1 1 1   32   15   18 o   18.030   1.3860 -3.830000 2.771000 
1 1 1   32   15   19 o   7.5150   2.0420 3.379000 4.085000 
1 1 1   32   15   20 o   26.700   0.9084 1.525000 1.817000 
1 1 1   32   15   21 o   5.9280   1.8660 -0.5439000 3.731000 
1 1 1   32   15   22 o   6.7650   1.9990 0.2328000 3.999000 
1 1 1   32   15   23 o   6.1810   1.8830 2.718000 3.766000 
1 1 1   32   15   24 o   9.5400   2.0540 -0.3079000 4.108000 
1 1 1   32   15   25 o   6.6640   1.9440 2.181000 3.888000 
1 1 1   32   15   26 o   7.1340   1.9260 -2.058000 3.851000 
1 1 1   32   16    0 o   39.370   0.8447 -0.000000 0.000000 
1 1 1   32   16    1 f   32.730   0.6497 -0.2937000 1.299000 
1 1 1   32   16    2 o   4.6910   1.5570 0.7188000 3.114000 
1 1 1   32   16    3 o   26.410   0.7700 -0.9161000 1.540000 
1 1 1   32   16    4 o   11.200   1.8640 -0.8342000 3.728000 
1 1 1   32   16    5 o   11.080   1.9040 -3.205000 3.809000 
1 1 1   32   16    6 f   15.750   1.4700 -3.395000 2.940000 
1 1 1   32   16    7 o   11.030   1.9600 2.113000 3.921000 
1 1 1   32   16    8 o   35.550   0.6924 2.683000 1.385000 
1 1 1   32   16    9 o   19.670   1.1290 0.1754000E-01 2.258000 
1 1 1   32   16   10 f   10.300   2.0310 0.8269000E-01 4.061000 
1 1 1   32   16   11 o   15.900   1.7780 5.548000 3.557000 
1 1 1   32   16   12 o   12.880   1.8180 3.546000 3.636000 
1 1 1   32   16   13 o   22.350   1.0650 -1.352000 2.129000 
1 1 1   32   16   14 o   15.780   1.5150 1.272000 3.030000 
1 1 1   32   16   15 o   20.090   1.2250 -1.617000 2.450000 
1 1 1   32   16   16 o   16.010   1.5920 -2.899000 3.183000 
1 1 1   32   16   17 o   6.6440   1.9350 -2.160000 3.871000 
1 1 1   32   16   18 o   15.450   1.6230 -1.655000 3.247000 
1 1 1   32   16   19 o   16.220   1.5040 -0.8377000 3.008000 
1 1 1   32   16   20 o   9.7050   2.1530 -0.4175000 4.306000 
1 1 1   32   16   21 o   9.3900   2.1490 -0.3429000 4.298000 
1 1 1   32   16   22 o   6.4290   1.9340 3.100000 3.868000 
1 1 1   32   16   23 o   8.0610   2.0870 -0.4751000 4.175000 
1 1 1   32   16   24 o   7.9310   2.0300 3.203000 4.060000 
1 1 1   32   16   25 o   10.770   1.8440 -5.580000 3.688000 
1 1 1   32   17    0 o   36.130   0.9051 -0.000000 0.000000 
1 1 1   32   17    1 o   15.000   1.4660 -4.138000 2.932000 
1 1 1   32   17    2 o   23.330   0.9059 1.036000 1.812000 
1 1 1   32   17    3 o   12.640   1.6940 5.546000 3.387000 
1 1 1   32   17    4 o   7.8550   2.0110 1.112000 4.023000 
1 1 1   32   17    5 o   9.3340   1.8750 -5.641000 3.750000 
1 1 1   32   17    6 o   9.7020   2.0920 3.368000 4.184000 
1 1 1   32   17    7 o   8.7790   2.1430 1.437000 4.285000 
1 1 1   32   17    8 o   11.720   1.9540 -2.768000 3.909000 
1 1 1   32   17    9 o   30.450   0.8278 0.1539000 1.656000 
1 1 1   32   17   10 o   23.200   1.0320 3.741000 2.063000 
1 1 1   32   17   11 o   11.410   2.0440 3.383000 4.089000 
1 1 1   32   17   12 o   18.310   1.3450 2.779000 2.691000 
1 1 1   32   17   13 o   7.7930   2.1400 0.5493000 4.281000 
1 1 1   32   17   14 o   10.350   2.1890 -0.1119000E-01 4.379000 
1 1 1   32   17   15 o   8.6440   2.1610 -1.497000 4.322000 
1 1 1   32   17   16 o   12.250   1.9690 5.784000 3.939000 
1 1 1   32   17   17 o   9.4090   2.1760 1.353000 4.352000 
1 1 1   32   17   18 o   14.590   1.6710 1.553000 3.343000 
1 1 1   32   17   19 o   11.950   1.9290 -4.932000 3.857000 
1 1 1   32   17   20 o   9.0450   2.1270 -1.842000 4.254000 
1 1 1   32   17   21 o   9.0480   2.0850 4.479000 4.171000 
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1 1 1   32   17   23 o   6.7650   1.9270 -2.174000 3.855000 
1 1 1   32   17   24 o   6.7470   1.9990 1.387000 3.999000 
1 1 1   32   18    0 o   10.760   2.8230 -0.000000 0.000000 
1 1 1   32   18    1 o   8.0770   1.9680 4.080000 3.935000 
1 1 1   32   18    2 o   28.860   0.8143 0.8512000 1.629000 
1 1 1   32   18    3 o   27.190   0.8523 1.521000 1.705000 
1 1 1   32   18    4 o   9.3760   2.1060 0.9600000 4.213000 
1 1 1   32   18    5 o   15.020   1.5760 -0.5001000 3.151000 
1 1 1   32   18    6 o   18.010   1.2830 -0.4106000 2.567000 
1 1 1   32   18    7 o   21.540   1.1610 -0.4743000 2.323000 
1 1 1   32   18    8 o   16.030   1.6020 3.727000 3.203000 
1 1 1   32   18    9 o   9.5580   2.1140 -3.387000 4.227000 
1 1 1   32   18   10 o   16.630   1.5330 -1.394000 3.066000 
1 1 1   32   18   11 o   9.0990   2.1950 -1.535000 4.389000 
1 1 1   32   18   12 o   14.640   1.7590 2.286000 3.519000 
1 1 1   32   18   13 f   8.8330   1.9540 7.105000 3.907000 
1 1 1   32   18   14 o   9.3000   1.8550 -6.785000 3.709000 
1 1 1   32   18   15 o   10.210   2.1170 -2.869000 4.234000 
1 1 1   32   18   16 o   11.660   2.0710 3.822000 4.142000 
1 1 1   32   18   17 o   7.0060   2.0690 1.203000 4.138000 
1 1 1   32   18   18 o   7.2960   2.1060 0.9267000 4.212000 
1 1 1   32   18   19 o   7.0210   1.9060 6.047000 3.811000 
1 1 1   32   18   20 o   6.1290   1.9060 -0.7758000 3.811000 
1 1 1   32   18   21 o   9.6000   2.0320 -3.532000 4.065000 
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1 1 1   32   19    0 o   10.240   3.0020 -0.000000 0.000000 
1 1 1   32   19    1 o   6.7790   1.9890 2.372000 3.978000 
1 1 1   32   19    2 o   12.920   1.8340 -6.600000 3.667000 
1 1 1   32   19    3 o   12.730   1.9010 2.664000 3.801000 
1 1 1   32   19    4 o   17.560   1.3700 1.367000 2.739000 
1 1 1   32   19    5 o   9.2980   2.1690 -0.6607000 4.337000 
1 1 1   32   19    6 o   7.2830   2.0180 3.319000 4.035000 
1 1 1   32   19    7 o   9.0780   2.1040 -3.334000 4.207000 
1 1 1   32   19    8 o   7.8190   2.0450 -3.621000 4.090000 
1 1 1   32   19    9 f   8.5540   2.2460 0.5989000 4.491000 
1 1 1   32   19   10 o   7.6930   2.1660 -0.5486000 4.333000 
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1 1 1   32   19   12 o   6.7550   2.0300 2.688000 4.060000 
1 1 1   32   19   13 o   8.5010   2.1360 -2.042000 4.272000 
1 1 1   32   19   14 o   8.7050   2.1640 -1.864000 4.328000 
1 1 1   32   19   15 f   8.6310   2.1390 -2.224000 4.277000 
1 1 1   32   19   16 o   10.970   1.9920 -7.974000 3.985000 
1 1 1   32   19   17 o   6.9650   2.0170 4.007000 4.034000 
1 1 1   32   19   18 o   6.5110   1.9310 4.245000 3.861000 
1 1 1   32   19   19 o   6.9510   2.0340 0.1787000 4.068000 
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1 1 1   32   20    0 o   9.4900   3.0910 -0.000000 0.000000 
1 1 1   32   20    1 f   13.160   1.8910 4.958000 3.782000 
1 1 1   32   20    2 o   8.6330   2.1470 2.489000 4.295000 
1 1 1   32   20    3 o   11.030   2.0880 2.546000 4.177000 
1 1 1   32   20    4 o   11.560   2.0080 -3.914000 4.016000 
1 1 1   32   20    5 o   8.6890   1.9030 6.740000 3.806000 
1 1 1   32   20    6 o   10.870   2.1030 3.444000 4.206000 
1 1 1   32   20    7 o   9.0530   2.2110 -0.5366000E-01 4.422000 
1 1 1   32   20    8 o   13.950   1.8320 -1.995000 3.664000 
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1 1 1   32   20   10 o   10.530   2.2460 0.7929000 4.492000 
1 1 1   32   20   11 f   8.7700   2.1660 3.931000 4.331000 
1 1 1   32   20   12 o   10.890   2.1420 3.056000 4.284000 
1 1 1   32   20   13 o   9.5850   1.9830 -5.372000 3.965000 
1 1 1   32   20   14 o   7.5440   2.1330 0.5513000 4.267000 
1 1 1   32   20   15 o   9.0580   2.1240 -2.561000 4.248000 
1 1 1   32   20   16 o   8.9940   2.0390 -3.916000 4.078000 
1 1 1   32   20   17 o   6.7250   2.0100 0.5706000 4.020000 
1 1 1   32   20   18 f   6.6330   1.9920 1.303000 3.985000 
1 1 1   32   21    0 o   7.1860   2.9720 -0.000000 0.000000 
1 1 1   32   21    1 o   12.370   2.1590 -2.969000 4.319000 
1 1 1   32   21    2 o   11.990   2.0950 1.893000 4.189000 
1 1 1   32   21    3 o   11.350   1.9880 -6.346000 3.976000 
1 1 1   32   21    4 o   19.640   1.2950 4.529000 2.591000 
1 1 1   32   21    5 f   12.970   1.9330 4.018000 3.866000 
1 1 1   32   21    6 o   11.390   2.1030 0.6497000 4.206000 
1 1 1   32   21    7 o   9.5170   2.1650 1.898000 4.331000 
1 1 1   32   21    8 o   9.0900   2.1690 -2.080000 4.337000 
1 1 1   32   21    9 o   14.310   1.7340 -4.097000 3.468000 
1 1 1   32   21   10 o   7.0600   2.0340 -1.505000 4.068000 
1 1 1   32   21   11 o   7.4200   2.0310 -2.305000 4.063000 
1 1 1   32   21   12 o   5.5530   1.8320 1.344000 3.663000 
1 1 1   32   21   13 o   8.0870   2.1540 2.919000 4.307000 
1 1 1   32   21   14 o   7.7750   2.0870 4.154000 4.174000 
1 1 1   32   21   15 o   11.610   1.9580 4.596000 3.917000 
1 1 1   32   21   16 o   7.0190   1.9500 5.512000 3.900000 
1 1 1   32   22    0 o   6.0930   2.7220 -0.000000 0.000000 
1 1 1   32   22    1 o   8.8280   2.1940 -0.8358000 4.388000 
1 1 1   32   22    2 o   11.770   2.0090 -4.623000 4.018000 
1 1 1   32   22    3 o   6.7990   1.9770 -2.688000 3.954000 
1 1 1   32   22    4 o   11.690   1.9710 5.625000 3.943000 
1 1 1   32   22    5 o   9.1370   2.1870 0.1582000 4.374000 
1 1 1   32   22    6 o   11.470   2.0610 0.9614000 4.121000 
1 1 1   32   22    7 o   9.5900   1.9570 6.152000 3.913000 
1 1 1   32   22    8 o   6.4830   1.9370 2.403000 3.874000 
1 1 1   32   22    9 o   6.9860   1.9930 2.366000 3.986000 
1 1 1   32   22   10 f   6.0540   1.8820 -0.6400000 3.763000 
1 1 1   32   22   11 o   6.2590   1.8680 -2.833000 3.736000 
1 1 1   32   22   12 o   6.3590   1.8850 1.966000 3.771000 
1 1 1   32   22   13 o   9.3170   2.1480 2.248000 4.297000 
1 1 1   32   23    0 o   4.9900   2.3970 -0.000000 0.000000 
1 1 1   32   23    1 o   7.0730   2.0780 -0.8137000E-01 4.155000 
1 1 1   32   23    2 o   5.4010   1.7710 1.651000 3.543000 
1 1 1   32   23    3 o   6.9640   2.0440 0.6516000 4.089000 
1 1 1   32   23    4 o   7.2630   2.0670 -0.4024000 4.134000 
1 1 1   32   23    5 o   13.120   1.8300 2.220000 3.661000 
1 1 1   32   23    6 o   8.0990   2.0860 -1.894000 4.172000 
1 1 1   32   23    7 o   7.2590   1.9500 -3.119000 3.901000 
1 1 1   32   23    8 o   7.8910   2.0580 0.6972000 4.116000 
1 1 1   32   23    9 o   9.2350   2.1910 -2.962000 4.382000 
1 1 1   33    0    1 o   5.0430   1.5380 -0.000000 0.000000 
1 1 1   33    0    2 o  110.100   1.3320 -0.000000 0.000000 
1 1 1   33    0    3 o   53.340   0.6833 -0.000000 0.000000 
1 1 1   33    0    4 o  137.100   1.6540 -0.000000 0.000000 
1 1 1   33    0    5 o  100.500   1.2200 -0.000000 0.000000 
1 1 1   33    0    6 o   46.940   0.6182 -0.000000 0.000000 
1 1 1   33    0    7 o   8.1640   1.2290 -0.000000 0.000000 
1 1 1   33    0    8 o   15.890   0.8579 -0.000000 0.000000 
1 1 1   33    0    9 o   30.850   0.6456 -0.000000 0.000000 
1 1 1   33    0   10 o   46.700   0.7668 -0.000000 0.000000 
1 1 1   33    0   11 o   17.700   0.7779 -0.000000 0.000000 
1 1 1   33    0   12 o   16.410   0.8123 -0.000000 0.000000 
1 1 1   33    0   13 o   20.160   0.7348 -0.000000 0.000000 
1 1 1   33    0   14 o   30.500   0.6605 -0.000000 0.000000 
1 1 1   33    0   15 o   7.7520   1.7340 -0.000000 0.000000 
1 1 1   33    0   16 o   58.260   0.9119 -0.000000 0.000000 
1 1 1   33    0   17 o   12.840   1.1150 -0.000000 0.000000 
1 1 1   33    0   18 f   36.580   0.7008 -0.000000 0.000000 
1 1 1   33    0   19 o   18.580   0.8178 -0.000000 0.000000 
1 1 1   33    0   20 o   37.220   0.7240 -0.000000 0.000000 
1 1 1   33    0   21 o   42.480   0.7687 -0.000000 0.000000 
1 1 1   33    0   22 o   8.6790   1.6980 -0.000000 0.000000 
1 1 1   33    0   23 o   34.810   0.7324 -0.000000 0.000000 
1 1 1   33    0   24 o   16.710   0.9522 -0.000000 0.000000 
1 1 1   33    0   26 o   13.040   3.2890 -0.000000 0.000000 
1 1 1   33    0   27 o   45.880   1.4690 -0.000000 0.000000 
1 1 1   33    0   28 o   25.200   2.0250 -0.000000 0.000000 
1 1 1   33    0   29 o   28.490   1.8580 -0.000000 0.000000 
1 1 1   33    0   30 o   15.720   3.3010 -0.000000 0.000000 
1 1 1   33    0   31 o   8.8060   3.6550 -0.000000 0.000000 
1 1 1   33    0   32 o   12.720   3.6060 -0.000000 0.000000 
1 1 1   33    0   33 o   7.6490   3.2600 -0.000000 0.000000 
1 1 1   33    0   34 o   8.6810   3.4570 -0.000000 0.000000 
1 1 1   33    1    0 o   84.770   1.2670 -0.000000 0.000000 
1 1 1   33    1    1 o   54.270   0.6062 -15.64000 1.212000 
1 1 1   33    1    2 o   72.890   0.7780 0.6240000 1.556000 
1 1 1   33    1    3 o   90.440   0.9535 -3.814000 1.907000 
1 1 1   33    1    4 o   80.860   0.8567 -5.455000 1.713000 
1 1 1   33    1    5 o   41.900   0.4971 3.059000 0.9941000 
1 1 1   33    1    6 f   70.270   0.6856 -0.2650000 1.371000 
1 1 1   33    1    7 o   34.510   0.4137 1.770000 0.8275000 
1 1 1   33    1    8 f   16.990   0.5098 2.578000 1.020000 
1 1 1   33    1    9 o   16.720   0.5079 -0.7368000 1.016000 
1 1 1   33    1   10 o   24.050   0.5144      ?      ? 
1 1 1   33    1   11 o   42.700   0.5787      ?      ? 
1 1 1   33    1   12 o   18.810   0.4243 -5.275000 0.8485000 
1 1 1   33    1   13 o   36.860   0.3885 -2.142000 0.7770000 
1 1 1   33    1   14 o   39.390   0.4035 2.971000 0.8071000 
1 1 1   33    1   15 o   15.430   0.6182 4.058000 1.236000 
1 1 1   33    1   16 o   12.600   0.6953 -1.213000 1.391000 
1 1 1   33    1   17 o   33.920   0.4383 3.269000 0.8767000 
1 1 1   33    1   18 o   75.480   0.8111 2.482000 1.622000 
1 1 1   33    1   19 o   57.030   0.5823 -1.111000 1.165000 
1 1 1   33    1   20 o   16.840   0.5627 -1.258000 1.125000 
1 1 1   33    1   21 o   11.110   0.9260 3.047000 1.852000 
1 1 1   33    1   22 o   44.960   0.5645 1.173000 1.129000 
1 1 1   33    1   23 o   32.410   0.5211 0.9099000 1.042000 
1 1 1   33    1   24 o   20.770   0.5368 0.9783000 1.074000 
1 1 1   33    1   25 o   10.130   1.9180 -0.2116000 3.836000 
1 1 1   33    1   26 o   15.360   1.5840 -1.164000 3.167000 
1 1 1   33    1   27 o   20.020   1.7480 3.641000 3.496000 
1 1 1   33    1   28 o   31.890   1.2230 -0.2564000 2.445000 
1 1 1   33    1   29 o   29.690   1.3190 6.186000 2.637000 
1 1 1   33    1   30 o   12.740   2.6880 2.018000 5.375000 
1 1 1   33    1   31 o   11.370   2.5570 -4.459000 5.113000 
1 1 1   33    1   32 o   13.650   2.3990 6.885000 4.799000 
1 1 1   33    1   33 o   23.920   1.4560 -1.839000 2.911000 
1 1 1   33    1   34 o   9.4080   2.4960 3.309000 4.991000 
1 1 1   33    2    0 o   4.4540   1.7940 -0.000000 0.000000 
1 1 1   33    2    1 o   24.990   0.4526 1.857000 0.9052000 
1 1 1   33    2    2 o   92.950   0.9788 -0.3664000 1.958000 
1 1 1   33    2    3 o   18.980   0.5407 -8.572000 1.081000 
1 1 1   33    2    4 o   79.110   0.8392 2.131000 1.678000 
1 1 1   33    2    5 o   14.150   0.6365 -0.2644000 1.273000 
1 1 1   33    2    6 o   52.750   0.5878 0.9274000 1.176000 
1 1 1   33    2    7 o   54.620   0.6055 -2.118000 1.211000 
1 1 1   33    2    8 o   56.370   0.6217 -5.931000 1.243000 
1 1 1   33    2    9 o   45.600   0.5331 -0.1635000 1.066000 
1 1 1   33    2   10 o   73.770   0.7881 5.757000 1.576000 
1 1 1   33    2   11 o   23.600   0.4714 -0.7777000 0.9427000 
1 1 1   33    2   12 o   50.800   0.5760 -7.117000 1.152000 
1 1 1   33    2   13 o   39.220   0.4902 -3.785000 0.9805000 
1 1 1   33    2   14 o   65.950   0.7160 4.884000 1.432000 
1 1 1   33    2   15 o   9.0450   1.1270 -6.845000 2.255000 
1 1 1   33    2   16 o   15.980   0.6934 5.468000 1.387000 
1 1 1   33    2   17 o   36.300   0.4535 2.097000 0.9071000 
1 1 1   33    2   18 o   31.280   0.4532 3.094000 0.9064000 
1 1 1   33    2   19 o  100.800   0.9734 -0.3524000 1.947000 
1 1 1   33    2   20 o   5.7140   1.4040 -0.3310000 2.807000 
1 1 1   33    2   21 o   29.910   0.4820 1.914000 0.9640000 
1 1 1   33    2   22 o   74.270   0.7010 -0.1903000 1.402000 
1 1 1   33    2   23 o   15.150   0.8678 2.611000 1.736000 
1 1 1   33    2   24 o   20.680   0.5593 -5.666000 1.119000 
1 1 1   33    2   25 o   36.060   0.4963 2.069000 0.9926000 
1 1 1   33    2   26 o   11.320   1.3320 6.758000 2.665000 
1 1 1   33    2   27 o   17.880   0.7648 1.043000 1.530000 
1 1 1   33    2   28 o   12.300   1.0140 0.2495000 2.029000 
1 1 1   33    2   29 o   7.2130   2.3020 0.4652000 4.603000 
1 1 1   33    2   30 o   16.030   2.2990 -2.739000 4.597000 
1 1 1   33    2   31 o   9.9810   2.4710 -4.563000 4.942000 
1 1 1   33    2   32 o   17.000   2.1600 -3.936000 4.321000 
1 1 1   33    2   33 o   8.6000   2.4200 -0.1167000 4.840000 
1 1 1   33    2   34 o   10.600   2.1970 7.212000 4.394000 
1 1 1   33    3    0 o   49.380   0.7926 -0.000000 0.000000 
1 1 1   33    3    1 o   67.890   0.7311 -6.960000 1.462000 
1 1 1   33    3    2 f   80.910   0.8586 -2.785000 1.717000 
1 1 1   33    3    3 o   75.020   0.7999 0.7002000 1.600000 
1 1 1   33    3    4 o   21.680   0.5001 -3.950000 1.000000 
1 1 1   33    3    5 o   80.530   0.8562 5.878000 1.712000 
1 1 1   33    3    6 o   99.250   1.0450 -4.996000 2.089000 
1 1 1   33    3    7 o   83.080   0.8816 6.042000 1.763000 
1 1 1   33    3    8 o   28.210   0.4596 -0.3882000 0.9191000 
1 1 1   33    3    9 o   24.830   0.4913 -9.682000 0.9826000 
1 1 1   33    3   10 o   30.580   0.4608 -1.929000 0.9216000 
1 1 1   33    3   11 o   14.500   0.7044 1.473000 1.409000 
1 1 1   33    3   12 f   22.590   0.5110 2.369000 1.022000 
1 1 1   33    3   13 o   25.100   0.6751      ?      ? 
1 1 1   33    3   14 o   46.030   0.5475 -0.2889000 1.095000 
1 1 1   33    3   15 o   27.670   0.4952 3.427000 0.9904000 
1 1 1   33    3   16 o   37.900   0.5076 -0.2812000 1.015000 
1 1 1   33    3   17 f   57.290   0.6452 -2.574000 1.290000 
1 1 1   33    3   18 o   57.610   0.6528 3.238000 1.306000 
1 1 1   33    3   19 o   25.050   0.5646 -2.408000 1.129000 
1 1 1   33    3   20 o   20.620   0.6060 1.875000 1.212000 
1 1 1   33    3   21 o   8.1460   1.5810 -2.231000 3.162000 
1 1 1   33    3   22 o   52.630   0.5744 2.029000 1.149000 
1 1 1   33    3   23 o   19.720   0.6980 1.814000 1.396000 
1 1 1   33    3   24 o   10.600   1.2680 1.194000 2.537000 
1 1 1   33    3   25 o   10.510   1.2410 -0.9435000 2.483000 
1 1 1   33    3   26 o   11.670   1.0690 -2.357000 2.139000 
1 1 1   33    3   27 o   8.4090   1.3980 -2.007000 2.795000 
1 1 1   33    3   28 o   9.0240   1.7260 2.800000 3.452000 
1 1 1   33    3   29 o   15.230   1.2040 2.168000 2.408000 
1 1 1   33    3   30 o   18.960   0.8436 1.851000 1.687000 
1 1 1   33    3   31 o   16.270   1.4330 -7.338000 2.866000 
1 1 1   33    3   32 o   8.6970   1.7850 2.593000 3.570000 
1 1 1   33    3   33 o   6.8430   1.9550 -4.899000 3.911000 
1 1 1   33    3   34 o   13.780   3.5940      ?      ? 
1 1 1   33    4    0 o   46.550   0.7689 -0.000000 0.000000 
1 1 1   33    4    1 o   78.670   0.8390 1.666000 1.678000 
1 1 1   33    4    2 o   58.520   0.6467 0.2306000 1.293000 
1 1 1   33    4    3 o   60.670   0.6658 4.460000 1.332000 
1 1 1   33    4    4 o   86.320   0.9150 -0.5272000 1.830000 
1 1 1   33    4    5 o   51.710   0.5896 2.860000 1.179000 
1 1 1   33    4    6 o   14.220   0.7187 0.3921000 1.437000 
1 1 1   33    4    7 f   24.170   0.5043 0.1101000 1.009000 
1 1 1   33    4    8 o   27.410   0.4813 2.810000 0.9627000 
1 1 1   33    4    9 o   32.650   0.4816 -2.860000 0.9633000 
1 1 1   33    4   10 o   20.100   0.7846      ?      ? 
1 1 1   33    4   11 o   49.670   0.5784 -1.534000 1.157000 
1 1 1   33    4   12 o   22.260   0.5414 -0.1995000E-01 1.083000 
1 1 1   33    4   13 o   50.880   0.5896 0.1794000 1.179000 
1 1 1   33    4   14 o   38.250   0.5226 3.746000 1.045000 
1 1 1   33    4   15 o   19.580   0.6388 -3.305000 1.278000 
1 1 1   33    4   16 o   18.180   0.6930 -0.4336000E-01 1.386000 
1 1 1   33    4   17 o   47.000   0.5721 2.540000 1.144000 
1 1 1   33    4   18 o   33.720   0.4893 -3.078000 0.9786000 
1 1 1   33    4   19 o   43.780   0.5205 2.584000 1.041000 
1 1 1   33    4   20 o   18.810   0.7629 5.741000 1.526000 
1 1 1   33    4   21 o   64.720   0.6669 -2.193000 1.334000 
1 1 1   33    4   22 o   47.770   0.5566 -2.750000 1.113000 
1 1 1   33    4   23 o   39.810   0.5426 -0.4689000 1.085000 
1 1 1   33    4   24 o   6.7730   1.6600 -0.3280000 3.320000 
1 1 1   33    4   25 o   29.670   0.6781 -1.533000 1.356000 
1 1 1   33    4   26 o   30.060   0.6831 2.943000 1.366000 
1 1 1   33    4   27 o   31.940   0.6121 0.5846000 1.224000 
1 1 1   33    4   28 o   27.360   0.6592 -2.597000 1.318000 
1 1 1   33    4   29 o   5.7420   1.6300 -2.123000 3.261000 
1 1 1   33    4   30 o   19.580   0.9814 -1.426000 1.963000 
1 1 1   33    4   31 o   7.4910   1.8570 -0.4924000 3.714000 
1 1 1   33    4   32 o   13.460   1.9680 5.261000 3.936000 
1 1 1   33    4   33 o   7.2470   2.3490      ?      ? 
1 1 1   33    5    0 o   26.890   0.7069 -0.000000 0.000000 
1 1 1   33    5    1 o   26.090   0.5108 2.010000 1.022000 
1 1 1   33    5    2 o   79.330   0.8490 5.082000 1.698000 
1 1 1   33    5    3 o   32.770   0.4943 -2.323000 0.9886000 
1 1 1   33    5    4 o   21.440   0.5858 3.943000 1.172000 
1 1 1   33    5    5 o   77.850   0.8338 0.6743000 1.668000 
1 1 1   33    5    6 o   76.680   0.8238 4.769000 1.648000 
1 1 1   33    5    7 o   26.300   0.5203 -0.3398000 1.041000 
1 1 1   33    5    8 o   82.690   0.8818 -1.649000 1.764000 
1 1 1   33    5    9 o   21.540   0.5971 2.839000 1.194000 
1 1 1   33    5   10 o   8.4900   1.9830      ?      ? 
1 1 1   33    5   11 o   26.590   0.7706      ?      ? 
1 1 1   33    5   12 o   40.170   0.5349 -0.8786000 1.070000 
1 1 1   33    5   13 o   35.030   0.5285 3.290000 1.057000 
1 1 1   33    5   14 o   35.170   0.5301 -4.659000 1.060000 
1 1 1   33    5   15 o   59.060   0.6676 -1.932000 1.335000 
1 1 1   33    5   16 o   36.020   0.4918 0.3367000 0.9835000 
1 1 1   33    5   17 o   38.450   0.5007 4.266000 1.001000 
1 1 1   33    5   18 o   62.840   0.6433 3.267000 1.287000 
1 1 1   33    5   19 o   41.510   0.5257 -1.971000 1.051000 
1 1 1   33    5   20 f   27.760   0.5748 1.851000 1.150000 
1 1 1   33    5   21 o   5.7660   1.6160 -0.8635000 3.233000 
1 1 1   33    5   22 o   21.870   0.8003 -1.433000 1.601000 
1 1 1   33    5   23 o   34.710   0.5716 -0.6258000 1.143000 
1 1 1   33    5   24 o   32.960   0.5931 0.3672000 1.186000 
1 1 1   33    5   25 o   22.830   0.7866 1.771000 1.573000 
1 1 1   33    5   26 o   14.790   1.1600 -0.3670000 2.320000 
1 1 1   33    5   27 o   8.0110   1.9060 -0.7976000E-01 3.812000 
1 1 1   33    5   28 o   12.640   1.5470 0.3023000 3.093000 
1 1 1   33    5   29 o   22.260   0.8692 0.6463000 1.738000 
1 1 1   33    5   30 o   24.090   0.7815 -2.418000 1.563000 
1 1 1   33    5   31 o   20.310   0.8431 1.604000 1.686000 
1 1 1   33    5   32 o   10.630   1.4480 0.5361000 2.896000 
1 1 1   33    5   33 o   12.750   1.4080 -0.2241000E-01 2.817000 
1 1 1   33    6    0 o   38.820   0.7544 -0.000000 0.000000 
1 1 1   33    6    1 o   43.040   0.5513 -1.614000 1.103000 
1 1 1   33    6    2 o   55.460   0.6367 -0.7060000 1.273000 
1 1 1   33    6    3 o   17.100   0.8156 -9.995000 1.631000 
1 1 1   33    6    4 o   26.450   0.5594 -5.470000 1.119000 
1 1 1   33    6    5 o   39.840   0.5317 1.624000 1.063000 
1 1 1   33    6    6 o   21.840   0.6188 -7.400000 1.238000 
1 1 1   33    6    7 o   42.410   0.5414 -2.251000 1.083000 
1 1 1   33    6    8 o   33.680   0.5180 -0.6201000 1.036000 
1 1 1   33    6    9 o   20.060   0.6681 -1.406000 1.336000 
1 1 1   33    6   10 f   5.5020   1.5480 -0.1242000 3.096000 
1 1 1   33    6   11 o   34.930   0.5412 -0.5314000E-02 1.082000 
1 1 1   33    6   12 o   22.300   0.6381 2.704000 1.276000 
1 1 1   33    6   13 o   22.050   0.6054 1.701000 1.211000 
1 1 1   33    6   14 o   42.080   0.5132 -0.6265000 1.026000 
1 1 1   33    6   15 o   10.720   1.2040 -5.070000 2.407000 
1 1 1   33    6   16 o   5.7820   1.5080 1.685000 3.015000 
1 1 1   33    6   17 o   14.490   0.9915 3.396000 1.983000 
1 1 1   33    6   18 o   6.6300   1.6340 -1.681000 3.268000 
1 1 1   33    6   19 o   50.620   0.5778 2.215000 1.156000 
1 1 1   33    6   20 o   18.960   0.8170 3.938000 1.634000 
1 1 1   33    6   21 o   11.830   1.4920 -1.736000 2.985000 
1 1 1   33    6   22 o   29.900   0.6191 3.927000 1.238000 
1 1 1   33    6   23 o   27.160   0.6939 1.812000 1.388000 
1 1 1   33    6   24 o   26.150   0.7500 4.125000 1.500000 
1 1 1   33    6   25 o   10.730   1.6610 3.636000 3.322000 
1 1 1   33    6   26 o   21.180   0.9233 2.331000 1.847000 
1 1 1   33    6   27 o   11.710   1.7570 -1.799000 3.514000 
1 1 1   33    6   28 o   36.290   0.6451 -2.153000 1.290000 
1 1 1   33    6   29 o   30.160   0.7125 0.6015000 1.425000 
1 1 1   33    6   30 o   24.250   0.9294 -2.645000 1.859000 
1 1 1   33    6   31 o   9.2620   1.7440 1.348000 3.489000 
1 1 1   33    6   32 o   11.960   1.5430 3.951000 3.086000 
1 1 1   33    6   33 o   14.320   1.1450 0.7414000 2.290000 
1 1 1   33    7    0 o   8.1120   2.1420 -0.000000 0.000000 
1 1 1   33    7    1 o   10.430   1.3170 7.025000 2.634000 
1 1 1   33    7    2 o   45.390   0.5767 2.527000 1.153000 
1 1 1   33    7    3 o   10.640   1.2790 1.301000 2.559000 
1 1 1   33    7    4 o   49.720   0.6022 -7.395000 1.204000 
1 1 1   33    7    5 o   27.790   0.5795 3.396000 1.159000 
1 1 1   33    7    6 f   15.770   0.8785 -2.774000 1.757000 
1 1 1   33    7    7 o   12.760   1.0700 -0.3485000 2.140000 
1 1 1   33    7    8 o   28.950   0.5680 0.9904000 1.136000 
1 1 1   33    7    9 o   39.680   0.5478 -2.782000 1.096000 
1 1 1   33    7   10 o   38.400   0.5087 3.005000 1.017000 
1 1 1   33    7   11 o   27.320   0.5552 -1.943000 1.110000 
1 1 1   33    7   12 o   24.310   0.5861 -5.065000 1.172000 
1 1 1   33    7   13 o   26.480   0.5784 0.7233000 1.157000 
1 1 1   33    7   14 o   16.830   0.9055 6.592000 1.811000 
1 1 1   33    7   15 o   24.190   0.7048 1.254000 1.410000 
1 1 1   33    7   16 o   19.360   0.8496 -0.6908000 1.699000 
1 1 1   33    7   17 o   47.130   0.5632 -2.093000 1.126000 
1 1 1   33    7   18 f   49.580   0.5727 -4.021000 1.145000 
1 1 1   33    7   19 o   39.900   0.5595 2.578000 1.119000 
1 1 1   33    7   20 o   27.490   0.6527 2.758000 1.305000 
1 1 1   33    7   21 o   9.0790   1.8660 -2.984000 3.732000 
1 1 1   33    7   22 o   21.660   0.9360 -1.466000 1.872000 
1 1 1   33    7   23 o   50.230   0.6150 -1.144000 1.230000 
1 1 1   33    7   24 o   17.880   1.0590 1.598000 2.117000 
1 1 1   33    7   25 o   24.540   0.8088 -1.466000 1.618000 
1 1 1   33    7   26 o   33.930   0.7058 3.513000 1.412000 
1 1 1   33    7   27 o   22.610   0.9151 -3.099000 1.830000 
1 1 1   33    7   28 o   31.490   0.7270 0.5369000 1.454000 
1 1 1   33    7   29 o   7.5780   1.9580 2.392000 3.917000 
1 1 1   33    7   30 o   16.270   1.3240 -4.506000 2.649000 
1 1 1   33    7   31 o   16.980   1.0920 -2.732000 2.184000 
1 1 1   33    7   32 o   12.950   1.5290 3.970000 3.057000 
1 1 1   33    8    0 o   19.850   1.0370 -0.000000 0.000000 
1 1 1   33    8    1 o   29.070   0.6010 2.901000 1.202000 
1 1 1   33    8    2 o   22.940   0.6730 1.468000 1.346000 
1 1 1   33    8    3 f   36.920   0.8158      ?      ? 
1 1 1   33    8    4 f   40.830   0.5729 5.886000 1.146000 
1 1 1   33    8    5 o   22.730   0.6723 0.8371000 1.345000 
1 1 1   33    8    6 o   7.9430   1.6390 -1.968000 3.278000 
1 1 1   33    8    7 o   57.240   0.6057 1.586000 1.211000 
1 1 1   33    8    8 o   9.1220   1.4580 1.953000 2.916000 
1 1 1   33    8    9 o   21.710   0.6448 1.878000 1.290000 
1 1 1   33    8   10 o   27.130   0.5785 1.497000 1.157000 
1 1 1   33    8   11 o   15.250   1.1530      ?      ? 
1 1 1   33    8   12 o   27.370   0.5934 -1.509000 1.187000 
1 1 1   33    8   13 o   16.150   0.9374 3.723000 1.875000 
1 1 1   33    8   14 o   15.690   0.9215 -1.413000 1.843000 
1 1 1   33    8   15 o   66.900   0.6882 0.4871000 1.376000 
1 1 1   33    8   16 o   57.950   0.6312 -3.060000 1.262000 
1 1 1   33    8   17 o   30.590   0.5988 4.972000 1.198000 
1 1 1   33    8   18 o   40.820   0.5698 0.9563000 1.140000 
1 1 1   33    8   19 o   17.450   0.9646 -2.099000 1.929000 
1 1 1   33    8   20 o   8.0750   2.7440      ?      ? 
1 1 1   33    8   21 o   15.950   1.1280 -2.731000 2.256000 
1 1 1   33    8   22 o   24.210   0.8155 0.7325000 1.631000 
1 1 1   33    8   23 o   18.590   1.2030 3.546000 2.406000 
1 1 1   33    8   24 o   44.900   0.6410 -3.158000 1.282000 
1 1 1   33    8   25 o   12.410   1.6490 -2.515000 3.298000 
1 1 1   33    8   26 o   25.370   0.8608 0.7182000 1.722000 
1 1 1   33    8   27 o   19.460   1.1990 -5.553000 2.398000 
1 1 1   33    8   28 o   23.310   0.9109 0.4137000 1.822000 
1 1 1   33    8   29 o   13.880   1.6450 3.568000 3.291000 
1 1 1   33    8   30 o   6.8960   1.9020 -3.885000 3.805000 
1 1 1   33    8   31 f   12.400   1.5460 -0.4726000 3.093000 
1 1 1   33    8   32 o   11.600   1.5550 -3.373000 3.110000 
1 1 1   33    9    0 o  104.200   1.5680 -0.000000 0.000000 
1 1 1   33    9    1 o   35.510   0.5968 -4.665000 1.194000 
1 1 1   33    9    2 o   13.690   1.2430 5.848000 2.486000 
1 1 1   33    9    3 o   22.400   0.7441 1.700000 1.488000 
1 1 1   33    9    4 o   22.690   0.6770 2.687000 1.354000 
1 1 1   33    9    5 o   42.830   0.5498 0.7280000 1.100000 
1 1 1   33    9    6 o   54.410   0.6016 -0.1148000E-02 1.203000 
1 1 1   33    9    7 o   16.840   0.8983 -5.459000 1.797000 
1 1 1   33    9    8 o   52.870   0.5932 -2.156000 1.186000 
1 1 1   33    9    9 o   47.170   0.5633 -1.214000 1.127000 
1 1 1   33    9   10 o   33.600   0.5603 -2.144000 1.121000 
1 1 1   33    9   11 o   21.370   0.7277 -4.650000 1.455000 
1 1 1   33    9   12 o   9.6960   1.4580 6.530000 2.917000 
1 1 1   33    9   13 o   34.010   0.5791 0.8909000 1.158000 
1 1 1   33    9   14 o   38.760   0.5694 -3.765000 1.139000 
1 1 1   33    9   15 o   18.840   1.0730 -6.757000 2.147000 
1 1 1   33    9   16 o   56.600   0.6296 3.224000 1.259000 
1 1 1   33    9   17 o   15.820   1.2670 -2.215000 2.534000 
1 1 1   33    9   18 o   7.5590   1.6370 5.090000 3.275000 
1 1 1   33    9   19 f   19.570   0.9854 3.109000 1.971000 
1 1 1   33    9   20 o   20.130   0.9711 -0.1545000 1.942000 
1 1 1   33    9   21 o   12.690   1.5580 -2.831000 3.116000 
1 1 1   33    9   22 o   28.720   0.7691 -2.028000 1.538000 
1 1 1   33    9   23 o   34.080   0.7128 1.632000 1.426000 
1 1 1   33    9   24 f   8.7280   2.0410 0.5789000 4.082000 
1 1 1   33    9   25 o   27.590   0.8493 -0.6582000 1.699000 
1 1 1   33    9   26 o   11.060   2.0940 -0.1883000 4.187000 
1 1 1   33    9   27 o   22.380   1.0040 -1.732000 2.008000 
1 1 1   33    9   28 o   15.090   1.4230 -4.510000 2.846000 
1 1 1   33    9   29 o   17.740   1.2020 1.509000 2.404000 
1 1 1   33    9   30 o   11.910   1.6780 -4.365000 3.357000 
1 1 1   33    9   31 o   13.290   1.5540 2.499000 3.108000 
1 1 1   33   10    0 o   11.310   1.7770 -0.000000 0.000000 
1 1 1   33   10    1 o   64.140   0.6076 1.726000 1.215000 
1 1 1   33   10    2 o   9.8430   1.5870 -0.5521000 3.174000 
1 1 1   33   10    3 o   19.070   0.9016 -3.574000 1.803000 
1 1 1   33   10    4 o   19.360   0.8291 0.6495000 1.658000 
1 1 1   33   10    5 o   41.280   0.5764 -2.118000 1.153000 
1 1 1   33   10    6 o   18.900   0.8592 -1.709000 1.718000 
1 1 1   33   10    7 o   34.180   0.5841 -3.206000 1.168000 
1 1 1   33   10    8 o   27.410   0.6587 -1.910000 1.317000 
1 1 1   33   10    9 o   21.000   0.8910 -1.819000 1.782000 
1 1 1   33   10   10 o   31.560   0.6032 -1.964000 1.206000 
1 1 1   33   10   11 o   25.660   0.6954 0.1050000E-01 1.391000 
1 1 1   33   10   12 o   40.700   0.5815 4.319000 1.163000 
1 1 1   33   10   13 o   38.290   0.5981 0.9979000 1.196000 
1 1 1   33   10   14 o   30.090   0.6575 -5.529000 1.315000 
1 1 1   33   10   15 o   38.750   0.6743 1.319000 1.349000 
1 1 1   33   10   16 o   18.230   1.0330 2.696000 2.065000 
1 1 1   33   10   17 o   29.960   0.6875 0.1113000 1.375000 
1 1 1   33   10   18 o   40.330   0.6298 -1.637000 1.260000 
1 1 1   33   10   19 f   22.180   0.9452 0.4532000 1.890000 
1 1 1   33   10   20 f   24.440   0.8829 -1.438000 1.766000 
1 1 1   33   10   21 o   12.900   1.7320 3.247000 3.464000 
1 1 1   33   10   22 o   30.270   0.7979 -1.409000 1.596000 
1 1 1   33   10   23 o   24.930   0.9591 -0.4439000 1.918000 
1 1 1   33   10   24 o   15.920   1.4730 0.5071000 2.947000 
1 1 1   33   10   25 o   6.5930   1.9670 -1.683000 3.933000 
1 1 1   33   10   26 o   15.490   1.5400 0.4427000 3.079000 
1 1 1   33   10   27 o   8.4480   2.0940 -2.540000 4.188000 
1 1 1   33   10   28 o   8.3260   2.0050 1.619000 4.009000 
1 1 1   33   10   29 o   13.870   1.5770 -0.4736000 3.155000 
1 1 1   33   10   30 o   7.0670   1.9450 -0.2188000 3.891000 
1 1 1   33   10   31 o   8.3240   1.7900 4.061000 3.580000 
1 1 1   33   11    0 o   21.030   1.0360 -0.000000 0.000000 
1 1 1   33   11    1 o   37.920   0.5295 -0.7072000 1.059000 
1 1 1   33   11    2 o   29.490   0.5944 2.538000 1.189000 
1 1 1   33   11    3 o   20.240   0.7954 -1.006000 1.591000 
1 1 1   33   11    4 o   39.160   0.5422 2.588000 1.084000 
1 1 1   33   11    5 o   48.170   0.5507 2.818000 1.101000 
1 1 1   33   11    6 f   29.840   0.6029 -0.4712000 1.206000 
1 1 1   33   11    7 f   29.900   0.6575 2.563000 1.315000 
1 1 1   33   11    8 o   79.810   0.8087 -1.476000 1.617000 
1 1 1   33   11    9 o   7.4090   1.8390 -2.049000 3.678000 
1 1 1   33   11   10 o   9.3140   1.7440 2.694000 3.488000 
1 1 1   33   11   11 o   25.530   0.7529 0.5802000E-01 1.506000 
1 1 1   33   11   12 f   46.740   0.6153 1.334000 1.231000 
1 1 1   33   11   13 o   15.660   1.1810 -0.4205000E-01 2.361000 
1 1 1   33   11   14 o   12.420   1.5690 -0.4930000 3.138000 
1 1 1   33   11   15 o   22.750   0.7967 -1.058000 1.593000 
1 1 1   33   11   16 o   30.000   0.6438 3.671000 1.288000 
1 1 1   33   11   17 o   19.070   0.9947 -3.063000 1.989000 
1 1 1   33   11   18 o   34.890   0.6389 -1.567000 1.278000 
1 1 1   33   11   19 o   20.150   1.1580 -3.727000 2.316000 
1 1 1   33   11   20 o   8.0080   1.9030 3.248000 3.805000 
1 1 1   33   11   21 f   17.580   1.1650 -0.6587000 2.331000 
1 1 1   33   11   22 o   22.690   0.9522 2.943000 1.904000 
1 1 1   33   11   23 o   5.2750   1.7120 -0.3935000 3.424000 
1 1 1   33   11   24 f   35.350   0.6768 1.104000 1.354000 
1 1 1   33   11   25 o   14.550   1.4620 -1.180000 2.923000 
1 1 1   33   11   26 o   11.590   1.7860 0.2294000E-01 3.573000 
1 1 1   33   11   27 o   5.5360   1.7400 -0.9310000 3.481000 
1 1 1   33   11   28 o   9.2730   1.9050 -1.746000 3.810000 
1 1 1   33   11   29 o   7.3340   1.9190 0.3996000 3.839000 
1 1 1   33   11   30 o   7.3740   1.8520 -0.8515000 3.705000 
1 1 1   33   12    0 o   19.690   1.2540 -0.000000 0.000000 
1 1 1   33   12    1 o   71.180   0.6707 -0.6560000 1.341000 
1 1 1   33   12    2 o   32.190   0.6098 -3.870000 1.220000 
1 1 1   33   12    3 o   26.540   0.6768 1.725000 1.354000 
1 1 1   33   12    4 o   46.310   0.5667 -2.104000 1.133000 
1 1 1   33   12    5 o   29.640   0.6502 1.696000 1.300000 
1 1 1   33   12    6 o   12.400   1.4470 -0.9019000 2.893000 
1 1 1   33   12    7 o   61.500   0.6167 -2.472000 1.233000 
1 1 1   33   12    8 f   23.490   0.7583 1.583000 1.517000 
1 1 1   33   12    9 o   18.030   0.9679 -0.7342000 1.936000 
1 1 1   33   12   10 o   8.8450   1.7430 -0.2678000 3.485000 
1 1 1   33   12   11 o   13.350   1.5900 -3.381000 3.181000 
1 1 1   33   12   12 o   32.450   0.7140 -0.2994000 1.428000 
1 1 1   33   12   13 o   37.450   0.5767 -1.943000 1.153000 
1 1 1   33   12   14 o   23.840   0.7632 -0.7077000 1.526000 
1 1 1   33   12   15 o   25.070   0.7896 1.098000 1.579000 
1 1 1   33   12   16 o   8.8550   2.1100 1.484000 4.220000 
1 1 1   33   12   17 o   17.680   1.1630 0.9102000 2.325000 
1 1 1   33   12   18 o   42.630   0.6221 -4.141000 1.244000 
1 1 1   33   12   19 f   15.940   1.3120 1.613000 2.624000 
1 1 1   33   12   20 o   32.360   0.7335 0.1393000 1.467000 
1 1 1   33   12   21 o   11.880   2.0510 -1.708000 4.103000 
1 1 1   33   12   22 o   13.680   1.6530 2.629000 3.306000 
1 1 1   33   12   23 o   10.140   1.8150 -6.558000 3.631000 
1 1 1   33   12   24 o   17.290   1.2750 0.4032000 2.550000 
1 1 1   33   12   25 o   6.5300   1.9180 0.5535000 3.835000 
1 1 1   33   12   26 o   18.210   1.1990 3.648000 2.398000 
1 1 1   33   12   27 o   7.3120   1.8870 4.057000 3.773000 
1 1 1   33   12   28 o   9.4220   1.9600 -1.133000 3.920000 
1 1 1   33   12   29 o   8.7180   1.7270 6.225000 3.455000 
1 1 1   33   13    0 o   20.280   1.3100 -0.000000 0.000000 
1 1 1   33   13    1 o   36.950   0.6871 -5.635000 1.374000 
1 1 1   33   13    2 o   52.930   0.5901 -0.3170000 1.180000 
1 1 1   33   13    3 o   36.250   0.6132 1.467000 1.226000 
1 1 1   33   13    4 o   29.390   0.6938 -0.9738000 1.388000 
1 1 1   33   13    5 o   5.3970   1.6810 -0.6377000 3.362000 
1 1 1   33   13    6 o   26.090   0.6959 0.1650000 1.392000 
1 1 1   33   13    7 o   47.500   0.5463 -0.6620000 1.093000 
1 1 1   33   13    8 o   24.840   0.7590 -3.044000 1.518000 
1 1 1   33   13    9 o   13.760   1.2970 -0.1380000 2.594000 
1 1 1   33   13   10 o   21.200   0.8760 -1.489000 1.752000 
1 1 1   33   13   11 o   32.270   0.6270 -4.315000 1.254000 
1 1 1   33   13   12 o   30.920   0.6577 -0.6654000 1.315000 
1 1 1   33   13   13 o   16.960   1.1020 1.792000 2.204000 
1 1 1   33   13   14 o   17.720   1.0980 2.816000 2.195000 
1 1 1   33   13   15 o   38.230   0.6045 0.1483000 1.209000 
1 1 1   33   13   16 o   21.790   0.9186 -0.8957000E-01 1.837000 
1 1 1   33   13   17 o   26.510   0.7936 -1.161000 1.587000 
1 1 1   33   13   18 o   8.2090   1.9880 3.589000 3.975000 
1 1 1   33   13   19 o   6.6820   1.9340 -0.1761000 3.868000 
1 1 1   33   13   20 o   10.150   2.0360 0.6447000 4.072000 
1 1 1   33   13   21 o   11.560   1.8580 -4.842000 3.716000 
1 1 1   33   13   22 o   14.510   1.5870 -1.058000 3.175000 
1 1 1   33   13   23 o   17.870   1.2350 0.1891000 2.471000 
1 1 1   33   13   24 o   7.5380   1.9780 -2.283000 3.955000 
1 1 1   33   13   25 o   14.870   1.4610 -0.8164000 2.922000 
1 1 1   33   13   26 o   13.990   1.5470 3.596000 3.094000 
1 1 1   33   13   27 o   6.0930   1.7840 -2.470000 3.568000 
1 1 1   33   13   28 o   8.5460   1.9590 1.851000 3.919000 
1 1 1   33   14    0 o   28.870   1.0250 -0.000000 0.000000 
1 1 1   33   14    1 o   42.910   0.6116 -0.1601000 1.223000 
1 1 1   33   14    2 o   43.860   0.6075 -2.821000 1.215000 
1 1 1   33   14    3 o   15.110   1.1900 0.4561000 2.379000 
1 1 1   33   14    4 o   5.5640   1.6430 -2.545000 3.286000 
1 1 1   33   14    5 o   21.880   0.8670 1.390000 1.734000 
1 1 1   33   14    6 o   25.550   0.9067 1.806000 1.813000 
1 1 1   33   14    7 o   7.6340   1.8670 3.707000 3.733000 
1 1 1   33   14    8 o   43.710   0.5771 0.4085000 1.154000 
1 1 1   33   14    9 o   15.020   1.2760 -0.3169000 2.552000 
1 1 1   33   14   10 o   31.100   0.6813 0.8687000 1.363000 
1 1 1   33   14   11 o   56.360   0.5922 2.206000 1.184000 
1 1 1   33   14   12 o   10.170   1.8760 2.759000 3.752000 
1 1 1   33   14   13 o   10.300   1.5690 -8.825000 3.137000 
1 1 1   33   14   14 o   27.720   0.7737 1.655000 1.547000 
1 1 1   33   14   15 o   13.290   1.6440 -2.255000 3.288000 
1 1 1   33   14   16 o   21.220   1.0110 2.519000 2.021000 
1 1 1   33   14   17 o   14.100   1.8900 -1.819000 3.780000 
1 1 1   33   14   18 o   20.990   1.1190 -2.449000 2.239000 
1 1 1   33   14   19 o   9.5550   2.1110 -0.6359000E-01 4.222000 
1 1 1   33   14   20 o   9.7800   2.1000 1.476000 4.200000 
1 1 1   33   14   21 o   25.620   0.9199 -0.3558000 1.840000 
1 1 1   33   14   22 o   17.250   1.3360 0.4215000 2.671000 
1 1 1   33   14   23 o   18.120   1.2520 0.2922000 2.505000 
1 1 1   33   14   24 o   8.8200   2.0650 2.195000 4.129000 
1 1 1   33   14   25 o   14.610   1.4970 -1.229000 2.993000 
1 1 1   33   14   26 o   6.1980   1.8670 0.1897000 3.734000 
1 1 1   33   14   27 o   6.4890   1.8710 2.224000 3.742000 
1 1 1   33   15    0 o   8.2130   2.8790 -0.000000 0.000000 
1 1 1   33   15    1 o   16.610   1.1770 0.6757000 2.353000 
1 1 1   33   15    2 o   42.000   0.5936 0.5338000 1.187000 
1 1 1   33   15    3 o   32.230   0.6773 1.115000 1.355000 
1 1 1   33   15    4 o   18.040   1.1000 2.679000 2.199000 
1 1 1   33   15    5 o   6.3650   1.7790 -2.677000 3.557000 
1 1 1   33   15    6 o   14.410   1.4290 -1.834000 2.858000 
1 1 1   33   15    7 o   15.690   1.3520 -3.025000 2.705000 
1 1 1   33   15    8 o   9.4160   1.9130 3.674000 3.826000 
1 1 1   33   15    9 o   16.870   1.2420 -0.5434000E-01 2.484000 
1 1 1   33   15   10 o   30.450   0.7427 -0.1943000 1.485000 
1 1 1   33   15   11 o   9.9650   1.9360 -3.289000 3.872000 
1 1 1   33   15   12 o   25.230   0.8632 3.011000 1.726000 
1 1 1   33   15   13 o   12.590   1.7710 1.311000 3.543000 
1 1 1   33   15   14 o   19.110   1.2010 3.985000 2.401000 
1 1 1   33   15   15 o   25.670   0.9096 -0.3461000 1.819000 
1 1 1   33   15   16 o   19.280   1.1650 1.479000 2.329000 
1 1 1   33   15   17 o   8.8980   2.0780 3.818000 4.156000 
1 1 1   33   15   18 o   20.320   1.1640 0.9840000 2.328000 
1 1 1   33   15   19 o   12.930   1.8520 0.5434000 3.704000 
1 1 1   33   15   20 o   13.360   1.7910 1.316000 3.581000 
1 1 1   33   15   21 o   14.420   1.6650 4.946000 3.330000 
1 1 1   33   15   22 o   6.8320   1.8010 -4.797000 3.602000 
1 1 1   33   15   23 o   10.500   2.0070 2.692000 4.014000 
1 1 1   33   15   24 o   7.9430   2.0640 0.9573000 4.128000 
1 1 1   33   15   25 o   10.220   1.9960 1.673000 3.992000 
1 1 1   33   15   26 o   7.1960   1.9910 0.2885000 3.983000 
1 1 1   33   16    0 o   11.460   2.4340 -0.000000 0.000000 
1 1 1   33   16    1 o   42.670   0.5821 -0.1391000 1.164000 
1 1 1   33   16    2 o   22.040   0.8995 0.5653000 1.799000 
1 1 1   33   16    3 o   37.050   0.6640 -1.959000 1.328000 
1 1 1   33   16    4 o   23.280   0.9541 -0.2896000 1.908000 
1 1 1   33   16    5 o   36.420   0.6833 -0.7078000 1.367000 
1 1 1   33   16    6 o   24.100   0.9302 -0.3244000 1.860000 
1 1 1   33   16    7 o   17.560   1.2980 -2.667000 2.596000 
1 1 1   33   16    8 o   24.510   0.9202 1.079000 1.840000 
1 1 1   33   16    9 o   13.910   1.6080 1.268000 3.215000 
1 1 1   33   16   10 f   10.990   1.9050 -3.992000 3.810000 
1 1 1   33   16   11 o   31.880   0.9449 2.061000 1.890000 
1 1 1   33   16   12 o   25.730   0.9540 -2.716000 1.908000 
1 1 1   33   16   13 o   9.6970   1.8670 8.528000 3.734000 
1 1 1   33   16   14 o   10.920   2.0630 2.871000 4.127000 
1 1 1   33   16   15 o   29.050   0.8621 0.8221000 1.724000 
1 1 1   33   16   16 o   12.480   1.9390 -3.121000 3.878000 
1 1 1   33   16   17 o   7.8690   2.1130 -0.3411000E-01 4.226000 
1 1 1   33   16   18 o   11.920   2.0020 -1.790000 4.004000 
1 1 1   33   16   19 o   6.9040   2.0230 -0.3130000 4.046000 
1 1 1   33   16   20 o   8.7240   1.9530 6.402000 3.907000 
1 1 1   33   16   21 f   14.570   1.7110 5.515000 3.423000 
1 1 1   33   16   22 o   7.1200   2.0570 0.6212000 4.114000 
1 1 1   33   16   23 o   5.9900   1.8690 -0.3481000 3.738000 
1 1 1   33   16   24 o   7.3880   1.9800 3.470000 3.960000 
1 1 1   33   16   25 o   6.2080   1.8830 2.138000 3.766000 
1 1 1   33   17    0 o   19.380   1.5220 -0.000000 0.000000 
1 1 1   33   17    1 o   18.010   1.1710 0.9515000E-01 2.341000 
1 1 1   33   17    2 o   19.950   1.0730 2.987000 2.147000 
1 1 1   33   17    3 o   38.090   0.6340 -1.668000 1.268000 
1 1 1   33   17    4 o   33.070   0.7618 0.4506000E-01 1.524000 
1 1 1   33   17    5 o   26.360   0.9206 -1.926000 1.841000 
1 1 1   33   17    6 o   19.590   1.2180 -1.558000 2.436000 
1 1 1   33   17    7 o   12.710   1.8540 -0.4466000 3.707000 
1 1 1   33   17    8 o   13.720   1.7870 -1.462000 3.573000 
1 1 1   33   17    9 o   29.740   0.8532 -1.589000 1.706000 
1 1 1   33   17   10 o   47.810   0.6519 -0.1409000 1.304000 
1 1 1   33   17   11 o   26.780   0.9665 -4.066000 1.933000 
1 1 1   33   17   12 o   7.5730   2.1290 0.9536000 4.258000 
1 1 1   33   17   13 o   19.310   1.2730 2.239000 2.545000 
1 1 1   33   17   14 o   11.970   2.0420 1.345000 4.085000 
1 1 1   33   17   15 o   15.120   1.6690 1.787000 3.338000 
1 1 1   33   17   16 o   19.930   1.2370 1.000000 2.474000 
1 1 1   33   17   17 o   13.770   1.8060 2.526000 3.612000 
1 1 1   33   17   18 o   10.030   2.1160 -1.390000 4.231000 
1 1 1   33   17   19 o   6.0530   1.8980 -0.1242000 3.796000 
1 1 1   33   17   20 o   7.5840   2.1050 1.501000 4.210000 
1 1 1   33   17   21 o   6.5330   1.9720 -0.5143000 3.945000 
1 1 1   33   17   22 o   7.5960   2.0100 4.202000 4.019000 
1 1 1   33   17   23 o   5.5720   1.8020 1.588000 3.604000 
1 1 1   33   17   24 o   8.0620   3.2580      ?      ? 
1 1 1   33   18    0 f   9.0930   2.9660 -0.000000 0.000000 
1 1 1   33   18    1 o   20.150   1.1390 2.062000 2.278000 
1 1 1   33   18    2 o   28.640   0.8273 -3.336000 1.655000 
1 1 1   33   18    3 o   10.510   2.0420 -0.3047000 4.084000 
1 1 1   33   18    4 o   19.780   1.1650 -1.700000 2.330000 
1 1 1   33   18    5 o   12.770   1.8570 -1.918000 3.715000 
1 1 1   33   18    6 o   13.200   1.8970 5.641000 3.794000 
1 1 1   33   18    7 o   17.020   1.4850 0.1840000 2.970000 
1 1 1   33   18    8 o   10.980   2.1710 2.513000 4.341000 
1 1 1   33   18    9 o   16.130   1.5900 3.418000 3.180000 
1 1 1   33   18   10 o   5.9900   1.9030 -0.4833000 3.806000 
1 1 1   33   18   11 o   20.760   1.2860 -4.670000 2.572000 
1 1 1   33   18   12 o   23.910   1.0920 -3.752000 2.183000 
1 1 1   33   18   13 o   8.7450   2.1940 2.493000 4.388000 
1 1 1   33   18   14 o   9.6090   2.2090 0.3959000 4.419000 
1 1 1   33   18   15 o   14.700   1.7330 2.047000 3.465000 
1 1 1   33   18   16 o   11.990   2.0260 -2.572000 4.051000 
1 1 1   33   18   17 o   15.130   1.6600 1.747000 3.320000 
1 1 1   33   18   18 o   5.5770   1.8260 0.4355000 3.652000 
1 1 1   33   18   19 o   5.8560   1.8810 0.1201000 3.762000 
1 1 1   33   18   20 o   7.7980   2.1260 0.2809000 4.251000 
1 1 1   33   18   21 o   8.3950   2.1360 0.2729000 4.271000 
1 1 1   33   18   22 o   9.0170   1.9410 -4.862000 3.882000 
1 1 1   33   19    0 o   7.8980   3.0180 -0.000000 0.000000 
1 1 1   33   19    1 o   15.270   1.5970 -0.2070000 3.194000 
1 1 1   33   19    2 o   7.4190   2.0910 0.4829000 4.182000 
1 1 1   33   19    3 o   26.990   0.9097 -2.771000 1.819000 
1 1 1   33   19    4 o   5.8710   1.8620 -1.210000 3.725000 
1 1 1   33   19    5 o   9.9720   2.1500 -0.2855000 4.299000 
1 1 1   33   19    6 o   8.1990   2.1220 -1.936000 4.244000 
1 1 1   33   19    7 o   14.440   1.7160 -3.332000 3.432000 
1 1 1   33   19    8 o   13.170   2.0200 2.831000 4.039000 
1 1 1   33   19    9 o   14.120   1.8950 -1.696000 3.791000 
1 1 1   33   19   10 o   20.410   1.2800 -1.382000 2.560000 
1 1 1   33   19   11 o   9.1950   2.0260 -4.804000 4.052000 
1 1 1   33   19   12 o   9.5530   2.2130 0.1001000 4.426000 
1 1 1   33   19   13 o   8.2920   2.1880 1.592000 4.376000 
1 1 1   33   19   14 o   7.8230   2.1330 -1.313000 4.265000 
1 1 1   33   19   15 o   8.5320   2.2020 0.4561000 4.404000 
1 1 1   33   19   16 o   13.010   1.9280 -0.6011000 3.855000 
1 1 1   33   19   17 o   9.1780   2.1640 -1.279000 4.327000 
1 1 1   33   19   18 o   7.3450   2.0940 -0.3780000E-01 4.189000 
1 1 1   33   19   19 o   5.3950   1.7680 -0.2681000 3.535000 
1 1 1   33   19   20 o   6.7310   2.0080 0.6710000 4.015000 
1 1 1   33   20    0 o   19.390   1.7980 -0.000000 0.000000 
1 1 1   33   20    1 o   14.700   1.7030 1.310000 3.406000 
1 1 1   33   20    2 o   8.8910   2.1870 -0.6206000 4.374000 
1 1 1   33   20    3 o   12.850   1.9140 0.4521000 3.828000 
1 1 1   33   20    4 o   8.0280   2.1490 1.023000 4.299000 
1 1 1   33   20    5 o   9.9030   2.0590 4.851000 4.118000 
1 1 1   33   20    6 o   6.8610   2.0420 -1.119000 4.084000 
1 1 1   33   20    7 o   12.040   2.0280 -0.2771000 4.056000 
1 1 1   33   20    8 o   15.030   1.6790 0.3055000 3.359000 
1 1 1   33   20    9 o   9.7110   2.2410 3.362000 4.481000 
1 1 1   33   20   10 o   7.9050   2.1820 2.310000 4.363000 
1 1 1   33   20   11 o   7.6060   2.0680 4.494000 4.136000 
1 1 1   33   20   12 o   9.2750   1.9620 7.458000 3.923000 
1 1 1   33   20   13 o   8.4220   2.0970 5.053000 4.193000 
1 1 1   33   20   14 o   6.7870   2.0470 1.295000 4.094000 
1 1 1   33   20   15 o   9.0740   2.1710 -1.123000 4.342000 
1 1 1   33   20   16 o   7.9450   2.1080 -1.402000 4.216000 
1 1 1   33   20   17 o   7.6090   2.0870 -0.5455000 4.174000 
1 1 1   33   20   18 o   8.7130   2.1120 -1.315000 4.224000 
1 1 1   33   21    0 o   13.620   2.6920 -0.000000 0.000000 
1 1 1   33   21    1 o   8.4890   2.1880 -1.678000 4.377000 
1 1 1   33   21    2 o   8.4140   2.2020 -1.284000 4.403000 
1 1 1   33   21    3 o   10.450   2.1910 0.9885000 4.383000 
1 1 1   33   21    4 o   17.930   1.4290 3.312000 2.859000 
1 1 1   33   21    5 o   13.780   1.8550 -1.231000 3.711000 
1 1 1   33   21    6 o   8.0710   2.1490 -1.396000 4.297000 
1 1 1   33   21    7 o   8.0850   2.0350 4.225000 4.071000 
1 1 1   33   21    8 o   9.1880   2.1540 -1.404000 4.307000 
1 1 1   33   21    9 o   5.7170   1.8420 1.110000 3.683000 
1 1 1   33   21   10 o   7.7590   2.1150 -0.8832000E-01 4.229000 
1 1 1   33   21   11 o   8.7700   2.1330 -2.837000 4.266000 
1 1 1   33   21   12 o   9.0190   2.1120 -3.071000 4.224000 
1 1 1   33   21   13 o   5.7520   1.8630 2.314000 3.726000 
1 1 1   33   21   14 f   6.2920   1.9440 -0.3571000 3.887000 
1 1 1   33   21   15 o   8.0060   2.0440 4.570000 4.089000 
1 1 1   33   21   16 o   6.7810   2.0280 3.165000 4.056000 
1 1 1   33   22    0 o   6.0220   2.7010 -0.000000 0.000000 
1 1 1   33   22    1 o   6.6410   1.9890 1.670000 3.978000 
1 1 1   33   22    2 o   5.0110   1.6930 0.7293000 3.385000 
1 1 1   33   22    3 o   9.2750   2.1870 0.5764000 4.374000 
1 1 1   33   22    4 f   10.360   1.7470 -9.060000 3.494000 
1 1 1   33   22    5 o   16.810   1.4480 -0.2393000 2.896000 
1 1 1   33   22    6 o   7.8150   2.1220 -0.8747000 4.243000 
1 1 1   33   22    7 o   6.3150   1.9200 -1.971000 3.839000 
1 1 1   33   22    8 f   8.0670   2.1190 0.2625000 4.237000 
1 1 1   33   22    9 o   11.710   1.7780 8.961000 3.557000 
1 1 1   33   22   10 o   7.0900   1.9990 1.650000 3.999000 
1 1 1   33   22   11 o   8.9930   2.0530 -1.156000 4.107000 
1 1 1   33   22   12 o   8.2260   2.1140 1.972000 4.228000 
1 1 1   33   22   13 o   11.500   2.4820 3.827000 4.963000 
1 1 1   33   23    0 o   5.8960   2.6690 -0.000000 0.000000 
1 1 1   33   23    1 o   6.3860   1.9510 1.926000 3.901000 
1 1 1   33   23    2 o   6.7080   2.0140 0.5412000 4.028000 
1 1 1   33   23    3 o   6.5330   1.9820 0.8354000 3.965000 
1 1 1   33   23    4 o   7.4320   2.0050 -3.257000 4.009000 
1 1 1   33   23    5 o   11.810   1.9660 1.602000 3.931000 
1 1 1   33   23    6 o   8.5500   1.9460 5.169000 3.891000 
1 1 1   33   23    7 o   8.1140   2.0720 1.104000 4.143000 
1 1 1   33   23    8 o   6.1140   1.8830 0.7049000 3.766000 
1 1 1   34    0    0 o   69.980   1.0580 -0.000000 0.000000 
1 1 1   34    0    1 o   6.0640   1.6070 -0.000000 0.000000 
1 1 1   34    0    2 o   41.760   0.5793 -0.000000 0.000000 
1 1 1   34    0    3 o   20.470   0.5625 -0.000000 0.000000 
1 1 1   34    0    4 o   66.500   0.8249 -0.000000 0.000000 
1 1 1   34    0    5 o   91.940   1.1180 -0.000000 0.000000 
1 1 1   34    0    6 o   61.110   0.7656 -0.000000 0.000000 
1 1 1   34    0    7 o   31.970   0.5175 -0.000000 0.000000 
1 1 1   34    0    8 o   3.7560   1.6750 -0.000000 0.000000 
1 1 1   34    0    9 o   66.000   1.0090 -0.000000 0.000000 
1 1 1   34    0   10 f   18.260   0.7951 -0.000000 0.000000 
1 1 1   34    0   11 o   56.640   0.8824 -0.000000 0.000000 
1 1 1   34    0   12 o   11.220   1.1270 -0.000000 0.000000 
1 1 1   34    0   13 o   5.1710   1.9170 -0.000000 0.000000 
1 1 1   34    0   14 o   4.9340   1.9250 -0.000000 0.000000 
1 1 1   34    0   15 o   24.530   0.7262 -0.000000 0.000000 
1 1 1   34    0   16 o   32.770   0.6814 -0.000000 0.000000 
1 1 1   34    0   17 o   31.400   0.6832 -0.000000 0.000000 
1 1 1   34    0   18 o   4.6080   1.9110 -0.000000 0.000000 
1 1 1   34    0   19 f   55.740   0.8896 -0.000000 0.000000 
1 1 1   34    0   20 o   19.280   0.8255 -0.000000 0.000000 
1 1 1   34    0   21 o   30.580   0.7047 -0.000000 0.000000 
1 1 1   34    0   22 o   44.830   0.7928 -0.000000 0.000000 
1 1 1   34    0   23 o   43.000   0.7930 -0.000000 0.000000 
1 1 1   34    0   24 o   19.230   0.9001 -0.000000 0.000000 
1 1 1   34    0   25 o   34.880   0.7616 -0.000000 0.000000 
1 1 1   34    0   26 o   21.890   2.1810 -0.000000 0.000000 
1 1 1   34    0   27 o   7.3000   3.2620 -0.000000 0.000000 
1 1 1   34    0   28 o   32.020   1.7040 -0.000000 0.000000 
1 1 1   34    0   29 o   17.720   3.0170 -0.000000 0.000000 
1 1 1   34    0   30 o   12.340   3.8350 -0.000000 0.000000 
1 1 1   34    0   31 o   16.680   3.0760 -0.000000 0.000000 
1 1 1   34    0   32 o   15.070   3.2510 -0.000000 0.000000 
1 1 1   34    0   33 o   13.230   3.4230 -0.000000 0.000000 
1 1 1   34    0   34 o   11.630   3.7380 -0.000000 0.000000 
1 1 1   34    1    0 o   6.9780   1.8080 -0.000000 0.000000 
1 1 1   34    1    1 o   70.530   0.7546 5.631000 1.509000 
1 1 1   34    1    2 o   15.090   0.6056 -0.1409000 1.211000 
1 1 1   34    1    3 o   87.170   0.9206 -5.117000 1.841000 
1 1 1   34    1    4 o   30.190   0.4497 -6.028000 0.8994000 
1 1 1   34    1    5 o   32.020   0.4052 3.027000 0.8105000 
1 1 1   34    1    6 o   20.100   0.4618 1.962000 0.9236000 
1 1 1   34    1    7 o   55.240   0.5577 -1.999000 1.115000 
1 1 1   34    1    8 o   56.070   0.5627 2.481000 1.125000 
1 1 1   34    1    9 o   33.950   0.4223 2.028000 0.8446000 
1 1 1   34    1   10 f   54.930   0.5591 -5.705000 1.118000 
1 1 1   34    1   11 o   19.360   0.4762 2.097000 0.9523000 
1 1 1   34    1   12 o   35.330   0.3862 2.566000 0.7724000 
1 1 1   34    1   13 o   33.660   0.3831 0.5879000 0.7661000 
1 1 1   34    1   14 o   56.150   0.5097 -1.576000 1.019000 
1 1 1   34    1   15 o   42.850   0.4767 1.702000 0.9533000 
1 1 1   34    1   16 o   30.240   0.4429 5.942000 0.8857000 
1 1 1   34    1   17 o   34.860   0.4475 1.299000 0.8950000 
1 1 1   34    1   18 o   44.380   0.4918 -1.277000 0.9836000 
1 1 1   34    1   19 o   40.200   0.4698 1.482000 0.9396000 
1 1 1   34    1   20 o   33.840   0.4472 -3.273000 0.8943000 
1 1 1   34    1   21 o   15.540   0.6562 1.475000 1.312000 
1 1 1   34    1   22 o   54.380   0.6314 -0.5273000 1.263000 
1 1 1   34    1   23 o   12.000   0.9840 0.9857000 1.968000 
1 1 1   34    1   24 o   47.850   0.6002 0.4781000 1.200000 
1 1 1   34    1   25 o   46.480   0.5476 -0.2030000 1.095000 
1 1 1   34    1   26 o   14.250   1.6840 2.933000 3.369000 
1 1 1   34    1   27 o   27.360   1.0940 -4.126000 2.188000 
1 1 1   34    1   28 o   15.060   2.3600 3.044000 4.720000 
1 1 1   34    1   29 o   17.520   2.2230 -0.4241000 4.446000 
1 1 1   34    1   30 o   26.460   1.4610 1.007000 2.921000 
1 1 1   34    1   31 o   9.9110   2.5880 -1.767000 5.176000 
1 1 1   34    1   32 o   14.250   2.3760 -1.908000 4.753000 
1 1 1   34    1   33 o   13.530   2.3460 -4.202000 4.692000 
1 1 1   34    1   34 o   11.430   2.6140 1.922000 5.228000 
1 1 1   34    2    0 o   9.8620   1.3080 -0.000000 0.000000 
1 1 1   34    2    1 o   74.250   0.7922 -3.091000 1.584000 
1 1 1   34    2    2 o   17.100   0.5939 -7.753000 1.188000 
1 1 1   34    2    3 o   52.340   0.5856 -5.259000 1.171000 
1 1 1   34    2    4 o   40.870   0.4931 0.5251000 0.9861000 
1 1 1   34    2    5 o   29.420   0.4449 1.029000 0.8899000 
1 1 1   34    2    6 o   7.1460   1.2450 -0.5544000E-01 2.490000 
1 1 1   34    2    7 o   47.390   0.5451 -1.584000 1.090000 
1 1 1   34    2    8 o   10.060   0.9692 2.612000 1.938000 
1 1 1   34    2    9 o   38.640   0.4892 -2.595000 0.9785000 
1 1 1   34    2   10 o   74.600   0.7967 0.4006000 1.593000 
1 1 1   34    2   11 o   54.390   0.6084 4.821000 1.217000 
1 1 1   34    2   12 o   38.250   0.4863 2.159000 0.9726000 
1 1 1   34    2   13 o   10.490   0.9179 -1.198000 1.836000 
1 1 1   34    2   14 o   46.070   0.5476 1.227000 1.095000 
1 1 1   34    2   15 o   4.8590   1.3050 -2.706000 2.610000 
1 1 1   34    2   16 o   30.630   0.4452 -2.734000 0.8903000 
1 1 1   34    2   17 o   9.5770   1.1850 2.946000 2.370000 
1 1 1   34    2   18 o   54.470   0.5649 0.4039000 1.130000 
1 1 1   34    2   19 o   11.240   0.9283 -1.165000 1.857000 
1 1 1   34    2   20 o   21.490   0.5377 0.4060000 1.075000 
1 1 1   34    2   21 o   7.7990   1.2820 -4.809000 2.564000 
1 1 1   34    2   22 o   20.730   0.6119 1.819000 1.224000 
1 1 1   34    2   23 o   43.720   0.4969 -0.9039000 0.9938000 
1 1 1   34    2   24 o   18.820   0.6205 -0.5813000 1.241000 
1 1 1   34    2   25 o   31.330   0.4962 -0.6733000 0.9925000 
1 1 1   34    2   26 f   41.140   0.5842 -1.703000 1.168000 
1 1 1   34    2   27 o   26.300   0.6067 1.123000 1.213000 
1 1 1   34    2   28 o   12.940   1.0900 2.890000 2.181000 
1 1 1   34    2   29 o   27.710   1.1090 -0.3240000 2.219000 
1 1 1   34    2   30 o   9.3430   2.5130 3.769000 5.026000 
1 1 1   34    2   31 o   16.240   2.1510 -1.871000 4.302000 
1 1 1   34    2   32 o   6.9590   2.2260 0.5599000 4.452000 
1 1 1   34    2   33 o   14.540   2.2470 1.219000 4.494000 
1 1 1   34    2   34 o   6.9570   2.2310 -0.5539000 4.463000 
1 1 1   34    3    0 o   37.430   0.6698 -0.000000 0.000000 
1 1 1   34    3    1 o   12.310   0.8933 8.001000 1.787000 
1 1 1   34    3    2 o   65.110   0.7041 -3.012000 1.408000 
1 1 1   34    3    3 o   61.710   0.6718 1.510000 1.344000 
1 1 1   34    3    4 o   11.820   0.8098 -0.7980000 1.620000 
1 1 1   34    3    5 o   11.520   0.8387 2.300000 1.677000 
1 1 1   34    3    6 f   44.780   0.5307 1.481000 1.061000 
1 1 1   34    3    7 o   62.210   0.6781 -1.193000 1.356000 
1 1 1   34    3    8 o   34.170   0.4752 -2.928000 0.9504000 
1 1 1   34    3    9 o   11.330   0.8572 -0.7923000 1.714000 
1 1 1   34    3   10 o   6.8440   1.2620 3.680000 2.524000 
1 1 1   34    3   11 o   23.590   0.5153 2.341000 1.031000 
1 1 1   34    3   12 o   29.770   0.4750 0.3962000 0.9500000 
1 1 1   34    3   13 o   19.780   0.5670 -1.600000 1.134000 
1 1 1   34    3   14 o   38.660   0.5061 -2.988000 1.012000 
1 1 1   34    3   15 o   19.640   0.5921 -1.894000 1.184000 
1 1 1   34    3   16 o   23.280   0.5491 2.303000 1.098000 
1 1 1   34    3   17 o   23.770   0.8247      ?      ? 
1 1 1   34    3   18 o   82.220   0.8803 2.683000 1.761000 
1 1 1   34    3   19 o   42.000   0.5492 -1.252000 1.098000 
1 1 1   34    3   20 o   17.800   0.7343 0.1665000 1.469000 
1 1 1   34    3   21 o   38.440   0.5105 0.5446000 1.021000 
1 1 1   34    3   22 o   64.900   0.6681 -2.627000 1.336000 
1 1 1   34    3   23 o   24.990   0.5935 -0.5027000 1.187000 
1 1 1   34    3   24 o   34.830   0.5069 -1.719000 1.014000 
1 1 1   34    3   25 o   26.880   0.5810 -2.642000 1.162000 
1 1 1   34    3   26 o   9.9850   1.3650 5.659000 2.730000 
1 1 1   34    3   27 o   6.7770   1.4140 -7.356000 2.827000 
1 1 1   34    3   28 o   5.9960   2.6370      ?      ? 
1 1 1   34    3   29 o   29.060   0.7388 0.6744000E-01 1.478000 
1 1 1   34    3   30 o   11.640   1.4250 4.546000 2.851000 
1 1 1   34    3   31 o   13.360   1.7550 -3.183000 3.510000 
1 1 1   34    3   32 o   10.790   1.9170 1.590000 3.834000 
1 1 1   34    3   33 o   12.320   1.8220 2.602000 3.643000 
1 1 1   34    4    0 o   30.420   0.6667 -0.000000 0.000000 
1 1 1   34    4    1 o   19.470   0.5594 -0.6584000E-01 1.119000 
1 1 1   34    4    2 o   27.370   0.4937 -4.692000 0.9875000 
1 1 1   34    4    3 o   53.670   0.6048 -2.347000 1.210000 
1 1 1   34    4    4 o   45.650   0.5428 2.656000 1.086000 
1 1 1   34    4    5 o   50.160   0.5780 -5.101000 1.156000 
1 1 1   34    4    6 o   46.270   0.5500 -5.068000 1.100000 
1 1 1   34    4    7 o   20.340   0.5514 -2.123000 1.103000 
1 1 1   34    4    8 o   50.890   0.5829 2.287000 1.166000 
1 1 1   34    4    9 o   24.970   0.5045 0.7534000 1.009000 
1 1 1   34    4   10 o   45.380   0.7696      ?      ? 
1 1 1   34    4   11 o   24.520   0.5329 -3.296000 1.066000 
1 1 1   34    4   12 o   28.410   0.5045 5.521000 1.009000 
1 1 1   34    4   13 o   24.460   0.5359 2.524000 1.072000 
1 1 1   34    4   14 o   50.900   0.5968 -1.461000 1.194000 
1 1 1   34    4   15 o   27.260   0.5412 4.734000 1.082000 
1 1 1   34    4   16 o   11.850   1.0630 2.889000 2.126000 
1 1 1   34    4   17 o   29.610   0.5391 0.7701000 1.078000 
1 1 1   34    4   18 o   33.980   0.5353 0.7503000 1.071000 
1 1 1   34    4   19 o   52.670   0.5716 -0.2946000 1.143000 
1 1 1   34    4   20 o   34.070   0.5115 -2.883000 1.023000 
1 1 1   34    4   21 o   33.940   0.5306 1.607000 1.061000 
1 1 1   34    4   22 o   31.670   0.5387 -2.073000 1.077000 
1 1 1   34    4   23 o   21.370   0.6828 -1.639000 1.366000 
1 1 1   34    4   24 o   24.850   0.7264      ?      ? 
1 1 1   34    4   25 o   38.980   0.5719 -0.5961000 1.144000 
1 1 1   34    4   26 o   10.550   1.4840 -0.9368000 2.968000 
1 1 1   34    4   27 o   13.450   1.1960 -2.006000 2.393000 
1 1 1   34    4   28 o   19.870   0.8576 0.5820000 1.715000 
1 1 1   34    4   29 o   12.480   1.3700 1.251000 2.740000 
1 1 1   34    4   30 o   13.720   2.2570      ?      ? 
1 1 1   34    4   31 o   8.3680   1.5780 5.422000 3.157000 
1 1 1   34    4   32 o   26.420   0.7150 2.421000 1.430000 
1 1 1   34    4   33 o   9.1240   2.1820      ?      ? 
1 1 1   34    5    0 o   9.7770   1.5880 -0.000000 0.000000 
1 1 1   34    5    1 o   21.060   0.6056 -7.192000 1.211000 
1 1 1   34    5    2 o   49.440   0.8199      ?      ? 
1 1 1   34    5    3 o   53.070   0.6066 -6.429000 1.213000 
1 1 1   34    5    4 o   82.030   0.8755 0.2799000 1.751000 
1 1 1   34    5    5 o   67.090   0.7335 0.3090000 1.467000 
1 1 1   34    5    6 o   48.610   0.5752 -4.311000 1.150000 
1 1 1   34    5    7 o   49.750   0.5789 2.022000 1.158000 
1 1 1   34    5    8 o   8.4470   1.1580 8.183000 2.316000 
1 1 1   34    5    9 o   57.020   0.6445 -7.396000 1.289000 
1 1 1   34    5   10 o   4.3590   1.3500 -0.7436000 2.700000 
1 1 1   34    5   11 f   27.410   0.5449 -0.8560000 1.090000 
1 1 1   34    5   12 o   12.510   0.9970 1.371000 1.994000 
1 1 1   34    5   13 o   35.550   0.5291 -3.606000 1.058000 
1 1 1   34    5   14 o   9.0590   1.2610 -7.895000 2.522000 
1 1 1   34    5   15 o   38.660   0.5376 2.456000 1.075000 
1 1 1   34    5   16 o   20.510   0.6366 1.795000 1.273000 
1 1 1   34    5   17 o   44.440   0.5239 4.247000 1.048000 
1 1 1   34    5   18 o   53.300   0.5800 -1.430000 1.160000 
1 1 1   34    5   19 o   18.610   0.7716 2.283000 1.543000 
1 1 1   34    5   20 o   40.970   0.5349 0.1278000 1.070000 
1 1 1   34    5   21 o   15.350   1.0850 -0.8262000E-01 2.169000 
1 1 1   34    5   22 o   43.320   0.5565 -1.478000 1.113000 
1 1 1   34    5   23 o   22.430   0.7323 0.1800000 1.465000 
1 1 1   34    5   24 o   28.670   0.6342 -2.036000 1.268000 
1 1 1   34    5   25 o   17.780   0.9916 0.6937000 1.983000 
1 1 1   34    5   26 o   9.3370   1.7510 -0.6041000 3.502000 
1 1 1   34    5   27 o   28.230   0.6935 -0.5604000 1.387000 
1 1 1   34    5   28 o   39.010   0.6230 -1.202000 1.246000 
1 1 1   34    5   29 o   27.030   0.7430 0.1561000 1.486000 
1 1 1   34    5   30 o   13.800   1.4650 3.921000 2.929000 
1 1 1   34    5   31 o   12.880   1.3720 -8.062000 2.744000 
1 1 1   34    5   32 o   11.900   1.4410 5.422000 2.882000 
1 1 1   34    5   33 o   9.1650   1.7840 -2.101000 3.568000 
1 1 1   34    6    1 o   52.550   0.8672      ?      ? 
1 1 1   34    6    2 o   22.440   0.6076 -1.313000 1.215000 
1 1 1   34    6    3 o   43.190   0.5477 -0.2483000 1.095000 
1 1 1   34    6    4 o   26.230   0.5630 -6.120000 1.126000 
1 1 1   34    6    5 o   19.980   0.6470 1.603000 1.294000 
1 1 1   34    6    6 o   48.780   0.5834 1.098000 1.167000 
1 1 1   34    6    7 o   59.010   0.6634 3.352000 1.327000 
1 1 1   34    6    8 f   28.330   0.7397      ?      ? 
1 1 1   34    6    9 o   31.070   0.5389 -1.548000 1.078000 
1 1 1   34    6   10 o   15.490   0.8680 4.373000 1.736000 
1 1 1   34    6   11 o   5.7160   1.5740 -1.150000 3.148000 
1 1 1   34    6   12 o   34.030   0.5534 -4.457000 1.107000 
1 1 1   34    6   13 o   29.710   0.5583 -1.001000 1.117000 
1 1 1   34    6   14 o   26.190   0.5554 -1.224000 1.111000 
1 1 1   34    6   15 o   17.860   0.8169 -1.975000 1.634000 
1 1 1   34    6   16 o   32.110   0.5218 0.1491000E-01 1.044000 
1 1 1   34    6   17 f   14.160   1.1650 4.224000 2.331000 
1 1 1   34    6   18 o   17.640   0.8108 -0.3001000 1.622000 
1 1 1   34    6   19 o   26.620   0.6998 3.507000 1.400000 
1 1 1   34    6   20 o   7.9090   1.6110 5.736000 3.222000 
1 1 1   34    6   21 o   37.290   0.5625 -2.479000 1.125000 
1 1 1   34    6   22 o   31.730   0.5972 -1.891000 1.194000 
1 1 1   34    6   23 o   27.710   0.6736 0.1399000 1.347000 
1 1 1   34    6   24 o   11.560   1.5890 3.937000 3.177000 
1 1 1   34    6   25 o   16.150   1.1740 1.049000 2.348000 
1 1 1   34    6   26 o   36.610   0.7040 -1.099000 1.408000 
1 1 1   34    6   27 o   49.940   0.6369 -2.727000 1.274000 
1 1 1   34    6   28 o   23.320   0.8463 -0.5060000 1.693000 
1 1 1   34    6   29 o   23.540   0.8654 0.1928000 1.731000 
1 1 1   34    6   30 o   11.290   1.6410 5.808000 3.282000 
1 1 1   34    6   31 o   11.690   1.5290 -2.518000 3.058000 
1 1 1   34    6   32 f   18.510   0.9709 1.187000 1.942000 
1 1 1   34    6   33 o   9.0330   1.6520 -0.9833000 3.305000 
1 1 1   34    7    0 o   45.230   0.8120 -0.000000 0.000000 
1 1 1   34    7    1 o   40.820   0.5607 3.530000 1.121000 
1 1 1   34    7    2 o   50.710   0.6124 4.077000 1.225000 
1 1 1   34    7    3 o   8.3590   1.4720 2.870000 2.943000 
1 1 1   34    7    4 o   6.4470   1.4940 -3.147000 2.989000 
1 1 1   34    7    5 o   35.710   0.5516 -3.709000 1.103000 
1 1 1   34    7    6 o   30.820   0.5575 -2.796000 1.115000 
1 1 1   34    7    7 o   7.7710   1.6020 -1.055000 3.205000 
1 1 1   34    7    8 o   53.550   0.6297 4.652000 1.259000 
1 1 1   34    7    9 o   24.600   0.6144 -1.607000 1.229000 
1 1 1   34    7   10 o   15.150   0.9081 -0.8493000 1.816000 
1 1 1   34    7   11 o   12.430   1.1130 -5.142000 2.225000 
1 1 1   34    7   12 o   25.210   0.5876 -3.024000 1.175000 
1 1 1   34    7   13 o   4.1930   1.3610 0.4651000E-01 2.723000 
1 1 1   34    7   14 o   45.020   0.5414 6.575000 1.083000 
1 1 1   34    7   15 o   56.690   0.6067 -0.1804000 1.213000 
1 1 1   34    7   16 o   48.030   0.6161 -2.004000 1.232000 
1 1 1   34    7   17 o   30.330   0.5720 0.6368000 1.144000 
1 1 1   34    7   18 o   20.360   0.7747 1.716000 1.549000 
1 1 1   34    7   19 o   31.240   0.5864 1.095000 1.173000 
1 1 1   34    7   20 o   26.450   1.1090      ?      ? 
1 1 1   34    7   21 o   35.930   0.5918 -4.239000 1.184000 
1 1 1   34    7   22 o   41.210   0.5932 0.2600000 1.186000 
1 1 1   34    7   23 o   16.980   1.1150 3.123000 2.231000 
1 1 1   34    7   24 o   18.920   0.9872 0.5428000 1.974000 
1 1 1   34    7   25 o   12.300   1.6400 7.092000 3.281000 
1 1 1   34    7   26 o   42.590   0.6405 -2.389000 1.281000 
1 1 1   34    7   27 o   27.340   0.7881 -0.5376000 1.576000 
1 1 1   34    7   28 o   24.330   0.8404 -3.892000 1.681000 
1 1 1   34    7   29 o   24.300   0.8884 1.262000 1.777000 
1 1 1   34    7   30 o   26.460   0.8400 4.225000 1.680000 
1 1 1   34    7   31 o   7.2090   1.8640 -0.1812000 3.727000 
1 1 1   34    7   32 o   17.630   1.0670 1.220000 2.133000 
1 1 1   34    8    0 f   52.700   0.8961 -0.000000 0.000000 
1 1 1   34    8    1 o   17.170   0.8854 5.141000 1.771000 
1 1 1   34    8    2 o   25.690   0.6236 -2.537000 1.247000 
1 1 1   34    8    3 o   26.660   0.6189 -3.000000 1.238000 
1 1 1   34    8    4 o   21.960   0.7144 -2.576000 1.429000 
1 1 1   34    8    5 o   28.640   0.6025 -2.599000 1.205000 
1 1 1   34    8    6 o   23.440   0.6727 2.199000 1.345000 
1 1 1   34    8    7 o   40.470   0.5757 -2.385000 1.151000 
1 1 1   34    8    8 o   33.710   0.5256 4.103000 1.051000 
1 1 1   34    8    9 o   28.840   0.5644 4.162000 1.129000 
1 1 1   34    8   10 o   27.250   0.5707 1.306000 1.141000 
1 1 1   34    8   11 o   15.080   0.9769 1.557000 1.954000 
1 1 1   34    8   12 o   20.210   0.7288 -3.103000 1.458000 
1 1 1   34    8   13 o   6.4420   1.6730 -1.060000 3.347000 
1 1 1   34    8   14 f   8.0290   1.5050 4.618000 3.010000 
1 1 1   34    8   15 f   40.820   0.7070      ?      ? 
1 1 1   34    8   16 o   40.310   0.5581 -3.695000 1.116000 
1 1 1   34    8   17 o   13.760   1.1740 -2.046000 2.348000 
1 1 1   34    8   18 o   41.500   0.5791 -0.8871000 1.158000 
1 1 1   34    8   19 o   10.800   1.7850 1.222000 3.569000 
1 1 1   34    8   20 o   53.510   0.6302 -0.2500000E-01 1.260000 
1 1 1   34    8   21 o   18.170   1.0920 4.100000 2.185000 
1 1 1   34    8   22 f   21.680   0.9101 -0.8194000 1.820000 
1 1 1   34    8   23 o   29.680   0.7298 0.3972000 1.460000 
1 1 1   34    8   24 f   8.2740   1.8580 3.024000 3.716000 
1 1 1   34    8   25 o   24.110   0.8865 -0.7787000E-01 1.773000 
1 1 1   34    8   26 o   29.020   0.7804 0.4181000 1.561000 
1 1 1   34    8   27 o   33.580   0.7106 -1.588000 1.421000 
1 1 1   34    8   28 o   15.980   1.2600 -1.575000 2.521000 
1 1 1   34    8   29 o   7.9870   1.9750 -0.4539000 3.951000 
1 1 1   34    8   30 o   8.9290   1.7540 -7.800000 3.507000 
1 1 1   34    8   31 o   14.250   1.4530 3.555000 2.906000 
1 1 1   34    8   32 o   7.8190   1.8730 -3.470000 3.747000 
1 1 1   34    9    0 o   19.350   1.1820 -0.000000 0.000000 
1 1 1   34    9    1 o   38.470   0.5994 -0.1539000 1.199000 
1 1 1   34    9    2 o   38.620   0.5917 -1.298000 1.183000 
1 1 1   34    9    3 o   54.610   0.6601 -0.2413000 1.320000 
1 1 1   34    9    4 o   45.460   0.5617 -4.788000 1.123000 
1 1 1   34    9    5 o   30.190   0.5715 1.928000 1.143000 
1 1 1   34    9    6 o   29.500   0.5913 -0.9164000 1.183000 
1 1 1   34    9    7 o   37.550   0.5483 1.359000 1.097000 
1 1 1   34    9    8 o   16.380   0.9102 -0.8182000 1.820000 
1 1 1   34    9    9 o   60.840   0.6469 2.123000 1.294000 
1 1 1   34    9   10 o   44.040   0.5601 -0.5808000 1.120000 
1 1 1   34    9   11 o   10.430   1.4840 2.642000 2.967000 
1 1 1   34    9   12 o   30.650   0.5950 -4.836000 1.190000 
1 1 1   34    9   13 f   37.240   0.5744 -2.715000 1.149000 
1 1 1   34    9   14 o   18.520   0.9001 -1.678000 1.800000 
1 1 1   34    9   15 o   36.250   0.5946 -4.639000 1.189000 
1 1 1   34    9   16 o   18.820   1.0560 5.084000 2.113000 
1 1 1   34    9   17 o   39.820   0.5940 -1.093000 1.188000 
1 1 1   34    9   18 o   21.430   0.8557 -0.7103000 1.711000 
1 1 1   34    9   19 o   43.790   0.6144 -0.2393000 1.229000 
1 1 1   34    9   20 o   6.6320   1.9080 -1.805000 3.816000 
1 1 1   34    9   21 o   6.7790   1.8410 -3.783000 3.682000 
1 1 1   34    9   22 o   18.280   1.1310 -5.689000 2.262000 
1 1 1   34    9   23 o   24.970   0.8955 0.3358000 1.791000 
1 1 1   34    9   24 o   14.420   1.5570 0.9082000E-01 3.113000 
1 1 1   34    9   25 o   19.820   1.1450 1.971000 2.290000 
1 1 1   34    9   26 o   30.320   0.7861 -0.4731000 1.572000 
1 1 1   34    9   27 o   8.5550   2.1660 -0.1966000 4.332000 
1 1 1   34    9   28 o   9.0260   2.0390 -0.9462000 4.079000 
1 1 1   34    9   29 o   11.310   1.7990 2.876000 3.598000 
1 1 1   34    9   30 o   9.9070   1.8970 -0.2101000E-01 3.795000 
1 1 1   34    9   31 o   10.420   1.8100 -2.659000 3.620000 
1 1 1   34   10    0 o   31.340   0.7743 -0.000000 0.000000 
1 1 1   34   10    1 o   23.690   0.7008 -1.670000 1.402000 
1 1 1   34   10    2 o   6.2190   1.6610 1.561000 3.321000 
1 1 1   34   10    3 o   5.8400   1.6730 -1.086000 3.346000 
1 1 1   34   10    4 o   13.320   1.1700 -0.6755000 2.340000 
1 1 1   34   10    5 o   18.800   0.8893 1.846000 1.779000 
1 1 1   34   10    6 o   27.520   0.6536 -2.503000 1.307000 
1 1 1   34   10    7 o   22.170   0.7797 4.967000 1.559000 
1 1 1   34   10    8 o   25.330   0.6880 4.050000 1.376000 
1 1 1   34   10    9 o   52.660   0.6111 0.2672000 1.222000 
1 1 1   34   10   10 o   25.520   0.6910 -0.3574000 1.382000 
1 1 1   34   10   11 o   22.170   0.7836 2.655000 1.567000 
1 1 1   34   10   12 o   40.130   0.5943 -2.768000 1.189000 
1 1 1   34   10   13 o   15.530   1.1340 1.790000 2.268000 
1 1 1   34   10   14 o   17.120   1.0200 -1.981000 2.040000 
1 1 1   34   10   15 o   53.430   0.6336 0.6848000 1.267000 
1 1 1   34   10   16 o   33.010   0.7392 2.156000 1.478000 
1 1 1   34   10   17 o   22.310   0.8709 0.9471000E-01 1.742000 
1 1 1   34   10   18 o   17.250   1.1840 2.240000 2.368000 
1 1 1   34   10   19 o   23.440   0.9256 3.180000 1.851000 
1 1 1   34   10   20 o   15.170   1.4790 4.350000 2.957000 
1 1 1   34   10   21 o   24.070   0.9298 0.5668000 1.860000 
1 1 1   34   10   22 o   31.690   0.7770 0.6256000E-01 1.554000 
1 1 1   34   10   23 o   28.160   0.8450 -3.386000 1.690000 
1 1 1   34   10   24 o   16.960   1.4060 1.018000 2.811000 
1 1 1   34   10   25 o   9.8100   1.8820 5.287000 3.764000 
1 1 1   34   10   26 o   10.110   1.7740 7.279000 3.547000 
1 1 1   34   10   27 o   8.8350   2.1190 -2.290000 4.238000 
1 1 1   34   10   28 o   8.4330   1.9310 2.981000 3.863000 
1 1 1   34   10   29 o   7.1600   1.9790 -0.4689000 3.958000 
1 1 1   34   10   30 o   10.560   1.8300 3.616000 3.660000 
1 1 1   34   10   31 o   6.3680   2.0080 0.4996000 4.017000 
1 1 1   34   11    0 o   58.620   0.8258 -0.000000 0.000000 
1 1 1   34   11    1 o   19.430   0.7932 1.711000 1.586000 
1 1 1   34   11    2 o   49.890   0.5484 0.4292000 1.097000 
1 1 1   34   11    3 o   8.8460   1.6810 -1.726000 3.363000 
1 1 1   34   11    4 o   37.690   0.5519 -3.679000 1.104000 
1 1 1   34   11    5 o   24.100   0.6971 -1.757000 1.394000 
1 1 1   34   11    6 o   19.110   0.9305 -0.6188000 1.861000 
1 1 1   34   11    7 o   10.150   1.7080 -0.2309000 3.416000 
1 1 1   34   11    8 o   8.6140   1.7820 -2.783000 3.564000 
1 1 1   34   11    9 o   20.100   0.8844 -2.184000 1.769000 
1 1 1   34   11   10 o   8.2800   1.8320 -2.310000 3.665000 
1 1 1   34   11   11 o   9.4240   1.7800 0.4481000 3.559000 
1 1 1   34   11   12 o   49.900   0.6906 1.175000 1.381000 
1 1 1   34   11   13 o   20.700   1.0650 0.6562000 2.130000 
1 1 1   34   11   14 o   16.540   1.2030 4.598000 2.406000 
1 1 1   34   11   15 o   34.920   0.9132      ?      ? 
1 1 1   34   11   16 o   17.230   1.3690 -0.5086000 2.737000 
1 1 1   34   11   17 f   32.580   0.7320 1.284000 1.464000 
1 1 1   34   11   18 o   21.670   1.1940 -2.165000 2.388000 
1 1 1   34   11   19 o   38.060   0.6256 -1.938000 1.251000 
1 1 1   34   11   20 o   13.730   1.4500 1.417000 2.901000 
1 1 1   34   11   21 o   8.6400   1.9460 2.954000 3.891000 
1 1 1   34   11   22 o   28.380   0.7846 -1.608000 1.569000 
1 1 1   34   11   23 o   11.240   1.8740 0.6403000 3.747000 
1 1 1   34   11   24 o   8.0430   2.1280 1.001000 4.257000 
1 1 1   34   11   25 o   12.820   1.6500 -0.6609000 3.300000 
1 1 1   34   11   26 o   23.080   0.8936 -0.9744000 1.787000 
1 1 1   34   11   27 o   7.2380   1.9440 -0.1081000 3.887000 
1 1 1   34   11   28 o   8.9880   1.8550 -3.250000 3.710000 
1 1 1   34   11   29 o   7.1270   2.0330 -0.9338000 4.067000 
1 1 1   34   11   30 o   7.0400   1.8850 -5.083000 3.771000 
1 1 1   34   12    0 o   17.350   1.3800 -0.000000 0.000000 
1 1 1   34   12    1 o   28.850   0.6502 -1.555000 1.300000 
1 1 1   34   12    2 o   33.430   0.6077 1.123000 1.215000 
1 1 1   34   12    3 o   30.190   0.6415 -2.205000 1.283000 
1 1 1   34   12    4 o   30.250   0.6363 2.438000 1.273000 
1 1 1   34   12    5 o   47.820   0.5685 -2.796000 1.137000 
1 1 1   34   12    6 f   12.310   1.4310 -0.8520000E-01 2.861000 
1 1 1   34   12    7 o   13.290   1.3220 3.046000 2.645000 
1 1 1   34   12    8 o   33.910   0.5921 -0.4438000E-01 1.184000 
1 1 1   34   12    9 f   11.950   1.5150 5.410000 3.031000 
1 1 1   34   12   10 o   24.840   0.7483 -1.467000 1.497000 
1 1 1   34   12   11 o   52.940   0.5901 1.502000 1.180000 
1 1 1   34   12   12 o   42.630   0.5498 -0.9667000 1.100000 
1 1 1   34   12   13 o   12.520   1.5200 10.61000 3.040000 
1 1 1   34   12   14 o   29.650   0.6853 -1.224000 1.371000 
1 1 1   34   12   15 o   17.820   1.0880 4.696000 2.176000 
1 1 1   34   12   16 o   43.630   0.5993 -2.373000 1.199000 
1 1 1   34   12   17 o   25.200   1.0020 0.9122000E-01 2.005000 
1 1 1   34   12   18 o   13.750   1.5450 3.600000 3.090000 
1 1 1   34   12   19 o   15.980   1.3610 4.844000 2.722000 
1 1 1   34   12   20 o   21.250   1.0430 3.082000 2.086000 
1 1 1   34   12   21 o   34.930   0.7018 3.011000 1.404000 
1 1 1   34   12   22 o   9.3830   2.0500 -1.158000 4.100000 
1 1 1   34   12   23 o   12.460   1.8000 1.001000 3.599000 
1 1 1   34   12   24 o   15.200   1.4820 -0.2061000 2.964000 
1 1 1   34   12   25 o   16.420   1.3260 -1.412000 2.652000 
1 1 1   34   12   26 o   15.130   1.4490 -3.367000 2.897000 
1 1 1   34   12   27 o   8.8070   2.0120 -1.402000 4.024000 
1 1 1   34   12   28 o   9.2590   1.9650 -0.4406000 3.930000 
1 1 1   34   12   29 o   13.700   1.4240 -0.5427000E-01 2.848000 
1 1 1   34   13    0 o   24.090   1.1330 -0.000000 0.000000 
1 1 1   34   13    1 f   26.660   0.7389 -0.5476000 1.478000 
1 1 1   34   13    2 o   34.320   0.6315 0.5270000 1.263000 
1 1 1   34   13    3 o   17.140   1.0790 0.6924000 2.157000 
1 1 1   34   13    4 o   36.450   0.7034 -5.559000 1.407000 
1 1 1   34   13    5 o   11.720   1.6290 -2.143000 3.257000 
1 1 1   34   13    6 o   34.880   0.6385 5.260000 1.277000 
1 1 1   34   13    7 o   12.600   1.5430 -1.792000 3.085000 
1 1 1   34   13    8 o   11.780   1.5300 -2.260000 3.060000 
1 1 1   34   13    9 o   21.110   0.8418 0.8119000 1.684000 
1 1 1   34   13   10 o   21.330   0.8592 2.720000 1.718000 
1 1 1   34   13   11 o   20.620   0.8918 -0.8201000 1.784000 
1 1 1   34   13   12 o   22.080   0.8415 0.4251000 1.683000 
1 1 1   34   13   13 o   27.870   0.7293 0.1904000 1.459000 
1 1 1   34   13   14 o   25.260   0.8022 -2.077000 1.604000 
1 1 1   34   13   15 o   22.710   0.8893 -3.054000 1.779000 
1 1 1   34   13   16 o   7.8550   1.9130 3.855000 3.826000 
1 1 1   34   13   17 o   31.770   0.7458 -3.311000 1.492000 
1 1 1   34   13   18 o   26.290   0.8396 -1.960000 1.679000 
1 1 1   34   13   19 o   10.700   1.9240 2.662000 3.847000 
1 1 1   34   13   20 o   8.4130   2.0850 1.012000 4.171000 
1 1 1   34   13   21 o   11.820   1.8640 1.549000 3.727000 
1 1 1   34   13   22 o   12.040   1.8290 4.919000 3.657000 
1 1 1   34   13   23 o   17.910   1.2490 -0.4544000E-01 2.498000 
1 1 1   34   13   24 o   16.810   1.2920 0.1793000 2.584000 
1 1 1   34   13   25 o   16.130   1.4140 -4.785000 2.829000 
1 1 1   34   13   26 o   12.660   1.7190 -2.919000 3.437000 
1 1 1   34   13   27 o   7.5270   1.9980 0.1691000 3.997000 
1 1 1   34   13   28 o   8.3680   1.9660 1.101000 3.931000 
1 1 1   34   14    0 o   8.1090   2.8230 -0.000000 0.000000 
1 1 1   34   14    1 o   37.560   0.6339 -1.545000 1.268000 
1 1 1   34   14    2 o   17.840   1.1120 -1.261000 2.225000 
1 1 1   34   14    3 f   26.960   0.7864 -0.1881000 1.573000 
1 1 1   34   14    4 o   14.040   1.4640 1.974000 2.929000 
1 1 1   34   14    5 o   6.6860   1.8270 -1.412000 3.653000 
1 1 1   34   14    6 o   16.760   1.1500 -2.188000 2.299000 
1 1 1   34   14    7 o   11.200   1.7030 -0.5381000 3.406000 
1 1 1   34   14    8 o   23.380   0.8454 -1.647000 1.691000 
1 1 1   34   14    9 o   10.680   1.7570 -2.271000 3.514000 
1 1 1   34   14   10 o   31.070   0.6930 -0.7885000 1.386000 
1 1 1   34   14   11 o   25.460   0.8153 2.283000 1.631000 
1 1 1   34   14   12 o   18.650   1.0940 1.631000 2.188000 
1 1 1   34   14   13 o   9.0250   1.5980 -7.370000 3.195000 
1 1 1   34   14   14 o   9.9040   1.9050 5.148000 3.810000 
1 1 1   34   14   15 o   13.540   1.6640 -3.550000 3.328000 
1 1 1   34   14   16 f   31.210   0.7490 -1.271000 1.498000 
1 1 1   34   14   17 o   18.940   1.1690 1.270000 2.339000 
1 1 1   34   14   18 o   27.280   0.8728 -0.7757000 1.746000 
1 1 1   34   14   19 o   10.820   1.9110 6.866000 3.821000 
1 1 1   34   14   20 o   14.920   1.5560 3.155000 3.113000 
1 1 1   34   14   21 f   15.460   1.5150 1.516000 3.029000 
1 1 1   34   14   22 o   11.560   1.9800 0.3752000 3.959000 
1 1 1   34   14   23 o   20.730   1.0970 0.6745000 2.194000 
1 1 1   34   14   24 o   16.740   1.3400 -0.8806000 2.680000 
1 1 1   34   14   25 o   13.010   1.7040 0.1552000 3.409000 
1 1 1   34   14   26 o   8.5760   1.9980 1.822000 3.997000 
1 1 1   34   14   27 o   7.0700   1.8620 4.167000 3.723000 
1 1 1   34   15    0 o   30.710   1.0650 -0.000000 0.000000 
1 1 1   34   15    1 o   25.340   0.8760 -0.5936000 1.752000 
1 1 1   34   15    2 f   67.110   0.6326 2.173000 1.265000 
1 1 1   34   15    3 o   11.470   1.7170 2.504000 3.433000 
1 1 1   34   15    4 o   17.900   1.1230 3.696000 2.246000 
1 1 1   34   15    5 f   18.140   1.1210 5.313000 2.242000 
1 1 1   34   15    6 o   26.500   0.7907 0.7000000 1.581000 
1 1 1   34   15    7 o   24.330   0.8532 3.555000 1.706000 
1 1 1   34   15    8 o   8.0990   1.9720 -0.5837000 3.944000 
1 1 1   34   15    9 o   14.000   1.5520 -2.262000 3.105000 
1 1 1   34   15   10 o   28.880   0.7783 0.2387000 1.557000 
1 1 1   34   15   11 o   20.730   1.0700 0.3552000 2.140000 
1 1 1   34   15   12 o   30.270   0.7616 0.9163000 1.523000 
1 1 1   34   15   13 f   9.0000   1.5480 -8.685000 3.096000 
1 1 1   34   15   14 o   29.060   0.8332 -0.6590000 1.666000 
1 1 1   34   15   15 o   28.970   0.8479 -1.534000 1.696000 
1 1 1   34   15   16 o   14.910   1.5780 -0.7681000 3.157000 
1 1 1   34   15   17 o   17.940   1.3800 -3.354000 2.759000 
1 1 1   34   15   18 o   8.9350   2.0540 -3.023000 4.108000 
1 1 1   34   15   19 o   9.7550   2.0580 -2.783000 4.117000 
1 1 1   34   15   20 o   25.840   1.0150 3.723000 2.029000 
1 1 1   34   15   21 o   8.8470   2.1050 -2.104000 4.211000 
1 1 1   34   15   22 o   6.2710   1.9230 0.7568000 3.846000 
1 1 1   34   15   23 o   7.2070   2.0330 1.256000 4.066000 
1 1 1   34   15   24 o   8.8500   2.0730 1.909000 4.147000 
1 1 1   34   15   25 o   5.4680   1.7630 0.3202000 3.526000 
1 1 1   34   15   26 o   8.0740   2.0400 1.574000 4.079000 
1 1 1   34   16    0 o   25.830   1.1270 -0.000000 0.000000 
1 1 1   34   16    1 o   44.590   0.6268 2.331000 1.254000 
1 1 1   34   16    2 o   28.240   0.8024 1.492000 1.605000 
1 1 1   34   16    3 o   24.350   0.9251 -1.003000 1.850000 
1 1 1   34   16    4 o   8.5780   1.9960 -2.194000 3.991000 
1 1 1   34   16    5 o   10.520   1.9710 -0.8368000 3.942000 
1 1 1   34   16    6 o   16.620   1.3230 1.778000 2.645000 
1 1 1   34   16    7 o   13.750   1.6380 -0.3472000 3.276000 
1 1 1   34   16    8 o   16.090   1.3960 0.8946000 2.792000 
1 1 1   34   16    9 o   31.240   0.7546 -0.5944000 1.509000 
1 1 1   34   16   10 o   20.050   1.1380 -2.618000 2.277000 
1 1 1   34   16   11 o   20.410   1.2060 1.505000 2.413000 
1 1 1   34   16   12 o   7.3830   2.0670 1.142000 4.133000 
1 1 1   34   16   13 o   21.950   1.0950 -0.6871000 2.190000 
1 1 1   34   16   14 o   10.420   2.0880 -2.157000 4.176000 
1 1 1   34   16   15 o   17.350   1.4370 -0.8043000 2.875000 
1 1 1   34   16   16 o   9.3240   1.8370 -6.752000 3.674000 
1 1 1   34   16   17 o   6.2420   1.9330 -0.1016000 3.865000 
1 1 1   34   16   18 o   6.8580   2.0350 0.1895000 4.070000 
1 1 1   34   16   19 o   11.660   2.0030 -0.1591000 4.006000 
1 1 1   34   16   20 o   8.1550   2.1200 0.2550000 4.240000 
1 1 1   34   16   21 o   13.070   1.8490 1.374000 3.698000 
1 1 1   34   16   22 o   16.760   1.4430 -0.3376000 2.886000 
1 1 1   34   16   23 o   9.7110   2.0660 -1.504000 4.132000 
1 1 1   34   16   24 o   8.3660   2.0710 1.128000 4.142000 
1 1 1   34   16   25 o   6.0460   1.8710 1.448000 3.743000 
1 1 1   34   17    0 o   7.7580   2.8680 -0.000000 0.000000 
1 1 1   34   17    1 o   30.620   0.7411 2.841000 1.482000 
1 1 1   34   17    2 o   25.600   0.8513 3.393000 1.703000 
1 1 1   34   17    3 o   39.310   0.6790 2.582000 1.358000 
1 1 1   34   17    4 o   20.050   1.1840 2.441000 2.369000 
1 1 1   34   17    5 o   14.440   1.7970 -7.733000 3.593000 
1 1 1   34   17    6 o   7.4490   2.0610 2.562000 4.123000 
1 1 1   34   17    7 o   27.270   0.9005 0.4221000 1.801000 
1 1 1   34   17    8 o   25.730   0.9651 -0.2938000E-01 1.930000 
1 1 1   34   17    9 o   12.200   1.9850 0.8133000 3.969000 
1 1 1   34   17   10 o   9.0800   2.0550 5.424000 4.109000 
1 1 1   34   17   11 o   13.330   1.8220 9.218000 3.645000 
1 1 1   34   17   12 o   25.150   1.0050 3.499000 2.010000 
1 1 1   34   17   13 o   12.740   1.9640 -0.1301000E-01 3.928000 
1 1 1   34   17   14 o   27.080   0.9312 1.658000 1.862000 
1 1 1   34   17   15 o   9.0160   2.0330 -4.216000 4.066000 
1 1 1   34   17   16 o   12.070   1.9800 -3.478000 3.961000 
1 1 1   34   17   17 o   9.4050   2.1820 1.502000 4.363000 
1 1 1   34   17   18 o   9.7820   2.1220 -1.664000 4.245000 
1 1 1   34   17   19 o   11.530   2.0400 1.326000 4.079000 
1 1 1   34   17   20 o   13.580   1.8200 4.336000 3.640000 
1 1 1   34   17   21 o   7.8240   2.1100 -0.3683000 4.220000 
1 1 1   34   17   22 o   12.060   1.9230 2.712000 3.845000 
1 1 1   34   17   23 o   9.1800   2.0730 -1.599000 4.146000 
1 1 1   34   18    0 f   26.370   1.2450 -0.000000 0.000000 
1 1 1   34   18    1 o   18.310   1.2900 4.868000 2.580000 
1 1 1   34   18    2 o   9.6270   1.8770 6.434000 3.753000 
1 1 1   34   18    3 o   11.530   1.9590 -2.543000 3.918000 
1 1 1   34   18    4 o   17.060   1.3910 -4.347000 2.781000 
1 1 1   34   18    5 o   21.960   1.1920 -3.176000 2.385000 
1 1 1   34   18    6 o   20.400   1.2380 3.060000 2.476000 
1 1 1   34   18    7 o   11.540   2.0570 3.767000 4.115000 
1 1 1   34   18    8 o   14.470   1.7990 -1.741000 3.599000 
1 1 1   34   18    9 o   17.400   1.4520 1.157000 2.904000 
1 1 1   34   18   10 o   16.970   1.5150 5.076000 3.030000 
1 1 1   34   18   11 o   15.220   1.7150 1.577000 3.430000 
1 1 1   34   18   12 o   9.5820   2.2120 -0.1039000 4.424000 
1 1 1   34   18   13 o   6.0350   1.9100 -0.4427000 3.821000 
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1 1 1   34   18   15 o   7.6650   2.0910 3.976000 4.181000 
1 1 1   34   18   16 f   6.9600   2.0490 -0.6520000 4.099000 
1 1 1   34   18   17 o   6.5650   2.0050 0.6229000 4.009000 
1 1 1   34   18   18 o   7.5520   2.1070 3.009000 4.213000 
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1 1 1   34   19    1 f   8.8060   2.0890 3.711000 4.177000 
1 1 1   34   19    2 o   7.7450   2.0990 1.742000 4.198000 
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1 1 1   34   19    7 o   12.000   2.0220 -5.086000 4.043000 
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1 1 1   34   19    9 o   11.350   2.1610 2.695000 4.321000 
1 1 1   34   19   10 o   17.870   1.5310 -3.870000 3.062000 
1 1 1   34   19   11 o   14.950   1.7200 1.902000 3.440000 
1 1 1   34   19   12 o   12.630   1.9950 0.3276000 3.991000 
1 1 1   34   19   13 o   10.430   2.1770 1.765000 4.354000 
1 1 1   34   19   14 o   8.8530   2.0620 -4.039000 4.123000 
1 1 1   34   19   15 o   11.360   2.1080 1.975000 4.215000 
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1 1 1   34   19   17 o   9.3890   2.0790 5.311000 4.158000 
1 1 1   34   19   18 o   7.3970   2.0940 1.083000 4.189000 
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1 1 1   34   21    6 o   14.220   1.7590 0.3223000 3.518000 
1 1 1   34   21    7 o   9.6320   2.1530 2.090000 4.307000 
1 1 1   34   21    8 o   11.440   2.0070 2.881000 4.014000 
1 1 1   34   21    9 o   12.200   1.9310 4.851000 3.862000 
1 1 1   34   21   10 o   7.7200   2.1550 1.829000 4.309000 
1 1 1   34   21   11 o   5.7180   1.8310 -1.478000 3.662000 
1 1 1   34   21   12 o   6.9660   2.0260 3.885000 4.053000 
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1 1 1   34   21   14 o   6.6620   1.9970 -0.2569000 3.993000 
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1 1 1   34   22    1 o   5.4860   1.7990 -0.1066000 3.599000 
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1 1 1   34   22    4 o   12.070   1.9440 4.383000 3.887000 
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1 1 1   34   22    7 o   8.3260   1.9430 5.666000 3.887000 
1 1 1   34   22    8 f   6.7680   1.9560 2.991000 3.912000 
1 1 1   34   22    9 o   8.4760   2.0170 4.151000 4.035000 
1 1 1   34   22   10 o   7.6680   1.8120 -5.788000 3.625000 
1 1 1   34   22   11 o   8.6700   1.9540 -4.705000 3.908000 
1 1 1   34   22   12 o   6.7890   2.0050 1.692000 4.009000 
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1 1 1   34   23    2 o   7.5180   2.0790 -2.277000 4.158000 
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1 1 1   34   23    6 o   5.1640   1.7130 -0.3292000E-01 3.427000 
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1 1 1   35    0    8 o   18.890   0.7997 -0.000000 0.000000 
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1 1 1   35    0   11 o   54.990   0.8682 -0.000000 0.000000 
1 1 1   35    0   12 o   34.400   0.6629 -0.000000 0.000000 
1 1 1   35    0   13 o   28.080   0.6748 -0.000000 0.000000 
1 1 1   35    0   14 o   35.950   0.6832 -0.000000 0.000000 
1 1 1   35    0   15 o   7.4180   1.9690 -0.000000 0.000000 
1 1 1   35    0   16 o   41.030   0.7339 -0.000000 0.000000 
1 1 1   35    0   17 o   86.400   1.2990 -0.000000 0.000000 
1 1 1   35    0   18 o   32.780   0.7127 -0.000000 0.000000 
1 1 1   35    0   19 o   4.6380   1.9250 -0.000000 0.000000 
1 1 1   35    0   20 o   4.8750   1.9690 -0.000000 0.000000 
1 1 1   35    0   21 o   19.540   0.8542 -0.000000 0.000000 
1 1 1   35    0   22 o   25.600   0.7572 -0.000000 0.000000 
1 1 1   35    0   24 o   31.240   0.7607 -0.000000 0.000000 
1 1 1   35    0   25 o   18.980   0.9397 -0.000000 0.000000 
1 1 1   35    0   26 o   40.570   0.8156 -0.000000 0.000000 
1 1 1   35    0   27 o   10.270   3.7580 -0.000000 0.000000 
1 1 1   35    0   28 o   20.500   2.5740 -0.000000 0.000000 
1 1 1   35    0   29 o   24.990   2.1970 -0.000000 0.000000 
1 1 1   35    0   30 o   14.420   3.4500 -0.000000 0.000000 
1 1 1   35    0   31 o   10.480   3.7250 -0.000000 0.000000 
1 1 1   35    0   32 o   9.0430   3.6020 -0.000000 0.000000 
1 1 1   35    0   33 o   9.5030   3.6410 -0.000000 0.000000 
1 1 1   35    0   34 o   19.780   2.6440 -0.000000 0.000000 
1 1 1   35    1    0 o   95.940   1.4280 -0.000000 0.000000 
1 1 1   35    1    1 o   74.090   0.7904 -5.013000 1.581000 
1 1 1   35    1    2 f   44.270   0.5192 -3.014000 1.038000 
1 1 1   35    1    3 o   27.880   0.4525 -0.7790000 0.9050000 
1 1 1   35    1    4 o   66.290   0.6505 0.9179000 1.301000 
1 1 1   35    1    5 o   38.170   0.4406 -6.544000 0.8812000 
1 1 1   35    1    6 o   48.980   0.5100 -2.513000 1.020000 
1 1 1   35    1    7 o   26.390   0.5229      ?      ? 
1 1 1   35    1    8 o   26.200   0.4219 0.6178000 0.8438000 
1 1 1   35    1    9 o   31.800   0.4306 -10.93000 0.8612000 
1 1 1   35    1   10 o   79.320   0.7701 -0.8530000 1.540000 
1 1 1   35    1   11 o   16.630   0.5007 -7.847000 1.001000 
1 1 1   35    1   12 o   39.540   0.4050 2.037000 0.8100000 
1 1 1   35    1   13 o   11.660   0.6853 -3.076000 1.371000 
1 1 1   35    1   14 o   10.600   0.7459 -1.412000 1.492000 
1 1 1   35    1   15 o   29.420   0.4448 0.9442000 0.8896000 
1 1 1   35    1   16 o   18.890   0.5206 -0.2229000 1.041000 
1 1 1   35    1   17 o   37.400   0.4527 0.9264000 0.9055000 
1 1 1   35    1   18 o   52.440   0.5468 2.208000 1.094000 
1 1 1   35    1   19 f   56.360   0.5808 -0.6096000 1.162000 
1 1 1   35    1   20 o   5.5170   1.3260 -3.171000 2.651000 
1 1 1   35    1   21 o   32.360   0.4572 -3.674000 0.9144000 
1 1 1   35    1   22 o   6.4900   1.4920 1.214000 2.985000 
1 1 1   35    1   23 o   26.900   0.5572 -0.6933000 1.114000 
1 1 1   35    1   24 o   35.180   0.5505 2.203000 1.101000 
1 1 1   35    1   25 o   13.040   0.9030 2.801000 1.806000 
1 1 1   35    1   26 o   26.370   1.0230 -1.515000 2.046000 
1 1 1   35    1   27 o   26.040   1.0160 3.840000 2.033000 
1 1 1   35    1   28 o   32.970   1.2190 3.679000 2.438000 
1 1 1   35    1   29 o   18.380   2.1570 -1.230000 4.313000 
1 1 1   35    1   30 o   7.6810   2.3730 1.583000 4.747000 
1 1 1   35    1   31 o   11.910   2.6020 2.509000 5.203000 
1 1 1   35    1   32 o   17.290   2.0380 5.350000 4.075000 
1 1 1   35    1   33 o   13.090   2.5290 0.4827000 5.057000 
1 1 1   35    1   34 o   7.5350   2.3810 0.6208000 4.762000 
1 1 1   35    2    0 o   38.080   0.6798 -0.000000 0.000000 
1 1 1   35    2    1 o   31.070   0.4561 -6.221000 0.9121000 
1 1 1   35    2    2 o   33.080   0.4598 6.211000 0.9197000 
1 1 1   35    2    3 o   94.450   0.9949 -0.9430000 1.990000 
1 1 1   35    2    4 o   50.870   0.5719 -2.690000 1.144000 
1 1 1   35    2    5 o   37.620   0.4787 1.019000 0.9574000 
1 1 1   35    2    6 o   71.350   0.7654 5.429000 1.531000 
1 1 1   35    2    7 o   67.750   0.7301 4.119000 1.460000 
1 1 1   35    2    8 o   55.850   0.6188 4.661000 1.238000 
1 1 1   35    2    9 o   47.750   0.5532 -6.979000 1.106000 
1 1 1   35    2   10 o   33.460   0.4693 1.075000 0.9387000 
1 1 1   35    2   11 o   41.550   0.5123 -4.228000 1.025000 
1 1 1   35    2   12 o   14.970   0.6735 1.830000 1.347000 
1 1 1   35    2   13 o   13.670   0.7360 -2.325000 1.472000 
1 1 1   35    2   14 o   58.760   0.6525 3.522000 1.305000 
1 1 1   35    2   15 o   29.620   0.4887 -2.017000 0.9775000 
1 1 1   35    2   16 o   27.270   0.4567 -0.5102000 0.9133000 
1 1 1   35    2   17 f   36.780   0.4637 0.2548000E-01 0.9274000 
1 1 1   35    2   18 o   41.410   0.4855 3.069000 0.9710000 
1 1 1   35    2   19 o   47.270   0.5243 -3.057000 1.049000 
1 1 1   35    2   20 o   46.120   0.5181 -1.701000 1.036000 
1 1 1   35    2   21 f   40.340   0.4997 1.819000 0.9995000 
1 1 1   35    2   22 f   51.110   0.6907 -1.385000 1.381000 
1 1 1   35    2   23 o   7.8730   1.4300 -2.040000 2.860000 
1 1 1   35    2   24 o   13.220   0.8645 -0.7114000 1.729000 
1 1 1   35    2   25 o   18.140   0.7175 2.322000 1.435000 
1 1 1   35    2   26 o   6.7160   1.3420 1.515000 2.683000 
1 1 1   35    2   27 o   11.940   1.2100 1.584000 2.421000 
1 1 1   35    2   28 o   13.110   1.6740      ?      ? 
1 1 1   35    2   29 o   19.020   1.4050 7.813000 2.810000 
1 1 1   35    2   30 o   38.010   1.1180 -1.659000 2.237000 
1 1 1   35    2   31 o   12.320   2.5520 -1.085000 5.104000 
1 1 1   35    2   32 o   6.2730   2.0800 -0.7851000E-01 4.160000 
1 1 1   35    2   33 o   10.420   2.4550 -3.817000 4.910000 
1 1 1   35    3    0 o   85.130   1.2750 -0.000000 0.000000 
1 1 1   35    3    1 o  123.500   1.2930 -1.444000 2.585000 
1 1 1   35    3    2 o   60.030   0.6590 4.287000 1.318000 
1 1 1   35    3    3 o   51.120   0.5782 3.214000 1.156000 
1 1 1   35    3    4 f   49.310   0.5653 3.821000 1.131000 
1 1 1   35    3    5 o   56.950   0.6298 -2.701000 1.260000 
1 1 1   35    3    6 o   35.810   0.4776 -1.543000 0.9552000 
1 1 1   35    3    7 o   43.840   0.5252 -0.3120000 1.050000 
1 1 1   35    3    8 o   76.550   0.8172 -2.938000 1.634000 
1 1 1   35    3    9 o   38.770   0.4912 1.224000 0.9825000 
1 1 1   35    3   10 o   40.470   0.5063 -0.2214000 1.013000 
1 1 1   35    3   11 o   34.330   0.4805 -1.967000 0.9610000 
1 1 1   35    3   12 o   59.030   0.6531 5.277000 1.306000 
1 1 1   35    3   13 o   47.680   0.5600 -1.346000 1.120000 
1 1 1   35    3   14 o   33.910   0.4927 -1.153000 0.9854000 
1 1 1   35    3   15 o   36.540   0.5080 1.003000 1.016000 
1 1 1   35    3   16 o   19.370   0.6383 3.200000 1.277000 
1 1 1   35    3   17 o   52.800   0.6118 -5.586000 1.224000 
1 1 1   35    3   18 o   61.330   0.6855 1.533000 1.371000 
1 1 1   35    3   19 o   28.800   0.5500 -1.849000 1.100000 
1 1 1   35    3   20 o   20.610   0.6701 -0.3003000E-01 1.340000 
1 1 1   35    3   21 o   54.070   0.6424 0.2661000 1.285000 
1 1 1   35    3   22 o   28.640   0.5458 1.577000 1.092000 
1 1 1   35    3   23 o   27.010   0.5440 -1.661000 1.088000 
1 1 1   35    3   24 o   20.800   0.6324      ?      ? 
1 1 1   35    3   25 o   15.800   0.9168 -2.212000 1.834000 
1 1 1   35    3   26 f   17.400   0.7891 -2.185000 1.578000 
1 1 1   35    3   27 o   7.4990   1.5710 -2.546000 3.142000 
1 1 1   35    3   28 f   43.770   0.7377 -0.4265000 1.475000 
1 1 1   35    3   29 o   20.020   0.9651 0.7515000 1.930000 
1 1 1   35    3   30 o   20.380   0.8022 -1.816000 1.604000 
1 1 1   35    3   31 o   9.0920   1.5710 1.177000 3.143000 
1 1 1   35    3   32 o   9.8680   1.9680 -7.456000 3.936000 
1 1 1   35    3   33 o   5.8420   1.7930 -1.502000 3.585000 
1 1 1   35    4    0 o   63.540   0.9818 -0.000000 0.000000 
1 1 1   35    4    1 o   46.630   0.5511 -1.884000 1.102000 
1 1 1   35    4    2 o   42.960   0.5276 -3.610000 1.055000 
1 1 1   35    4    3 o   17.090   0.6362 2.798000 1.272000 
1 1 1   35    4    4 o   65.980   0.7183 1.567000 1.437000 
1 1 1   35    4    5 o   75.250   0.8064 -1.057000 1.613000 
1 1 1   35    4    6 o   69.270   0.7494 -0.8204000 1.499000 
1 1 1   35    4    7 f   89.350   0.9460 2.130000 1.892000 
1 1 1   35    4    8 o   31.040   0.4902 -0.6931000 0.9803000 
1 1 1   35    4    9 o   88.540   0.9391 -2.679000 1.878000 
1 1 1   35    4   10 o   21.430   0.5731 2.694000 1.146000 
1 1 1   35    4   11 o   7.6300   1.4030 -0.1774000 2.807000 
1 1 1   35    4   12 o   18.570   0.6308 1.699000 1.262000 
1 1 1   35    4   13 o   36.500   0.5152 -2.698000 1.030000 
1 1 1   35    4   14 o   21.680   0.5911 -1.782000 1.182000 
1 1 1   35    4   15 o   38.340   0.5320 -3.523000 1.064000 
1 1 1   35    4   16 o   28.310   0.5338 -2.668000 1.068000 
1 1 1   35    4   17 o   43.640   0.5558 1.071000 1.112000 
1 1 1   35    4   18 o   7.3760   1.5830 -1.316000 3.167000 
1 1 1   35    4   19 o   48.570   0.5498 -0.8011000E-03 1.100000 
1 1 1   35    4   20 o   28.860   0.5432 0.3200000 1.086000 
1 1 1   35    4   21 o   35.380   0.6374      ?      ? 
1 1 1   35    4   22 o   44.320   0.5505 1.711000 1.101000 
1 1 1   35    4   23 o   12.110   1.3080 4.022000 2.616000 
1 1 1   35    4   24 o   30.890   0.5922 0.2781000 1.184000 
1 1 1   35    4   25 o   17.880   1.0210 -2.948000 2.043000 
1 1 1   35    4   26 o   21.680   0.8224 3.156000 1.645000 
1 1 1   35    4   27 o   28.910   0.6502 0.2714000 1.300000 
1 1 1   35    4   28 o   21.820   0.7816 0.9517000 1.563000 
1 1 1   35    4   29 o   16.020   1.0440 0.1477000 2.089000 
1 1 1   35    4   30 o   27.570   0.6382 -0.5295000 1.276000 
1 1 1   35    4   31 o   22.460   0.8187 0.3797000 1.637000 
1 1 1   35    4   32 o   13.580   1.4390 0.9436000 2.878000 
1 1 1   35    4   33 o   15.660   1.2820      ?      ? 
1 1 1   35    5    0 o   80.360   1.2170 -0.000000 0.000000 
1 1 1   35    5    1 f   26.860   0.5272 3.982000 1.054000 
1 1 1   35    5    2 o   27.810   0.5280 -4.844000 1.056000 
1 1 1   35    5    3 o   24.970   0.5308 4.618000 1.062000 
1 1 1   35    5    4 o   46.950   0.5638 -0.8907000 1.128000 
1 1 1   35    5    5 o   12.280   0.9158 -0.4726000 1.832000 
1 1 1   35    5    6 o   53.060   0.6095 5.604000 1.219000 
1 1 1   35    5    7 o   27.510   0.5086 2.020000 1.017000 
1 1 1   35    5    8 o   53.740   0.6146 0.1291000 1.229000 
1 1 1   35    5    9 o   24.970   0.5639 6.410000 1.128000 
1 1 1   35    5   10 o   16.020   0.7858 -2.708000 1.572000 
1 1 1   35    5   11 o   37.090   0.5297 -2.136000 1.059000 
1 1 1   35    5   12 o   27.190   0.7687      ?      ? 
1 1 1   35    5   13 f   30.880   0.5436 -2.222000 1.087000 
1 1 1   35    5   14 o   14.420   0.9234 -0.3154000 1.847000 
1 1 1   35    5   15 f   32.000   0.5435 -0.5859000 1.087000 
1 1 1   35    5   16 o   8.6620   1.4370 -5.112000 2.875000 
1 1 1   35    5   17 o   45.730   0.5349 -1.591000 1.070000 
1 1 1   35    5   18 o   33.140   0.5275 2.322000 1.055000 
1 1 1   35    5   19 o   48.560   0.5595 -2.046000 1.119000 
1 1 1   35    5   20 o   22.920   0.7165 -1.216000 1.433000 
1 1 1   35    5   21 o   41.820   0.5462 1.706000 1.092000 
1 1 1   35    5   22 o   21.250   0.8518 0.6478000 1.704000 
1 1 1   35    5   23 o   18.780   0.8608 -0.1268000 1.722000 
1 1 1   35    5   24 o   22.110   0.7911 1.840000 1.582000 
1 1 1   35    5   25 o   9.6200   1.7020 -0.1210000 3.404000 
1 1 1   35    5   26 o   7.9150   1.7930 -4.760000 3.586000 
1 1 1   35    5   27 o   15.800   1.2800 4.376000 2.559000 
1 1 1   35    5   28 o   33.260   0.6751 4.233000 1.350000 
1 1 1   35    5   29 o   29.930   0.7123 1.471000 1.425000 
1 1 1   35    5   30 o   19.120   0.9362 -0.7477000 1.872000 
1 1 1   35    5   31 o   31.070   0.6431 0.6681000E-01 1.286000 
1 1 1   35    5   32 o   8.3630   1.6820 -0.8480000 3.364000 
1 1 1   35    5   33 o   6.8140   1.8040 0.6147000 3.607000 
1 1 1   35    6    0 o   38.720   0.7688 -0.000000 0.000000 
1 1 1   35    6    1 o   34.570   0.5298 1.839000 1.060000 
1 1 1   35    6    2 o   62.470   0.6959 -0.7481000 1.392000 
1 1 1   35    6    3 o   36.040   0.5327 1.177000 1.065000 
1 1 1   35    6    4 o   41.030   0.5432 0.6172000 1.086000 
1 1 1   35    6    5 o   27.880   0.5490 -3.372000 1.098000 
1 1 1   35    6    6 o   33.560   0.5298 -3.026000 1.060000 
1 1 1   35    6    7 o   24.070   0.5760 -1.913000 1.152000 
1 1 1   35    6    8 o   31.600   0.5316 -0.6183000 1.063000 
1 1 1   35    6    9 o   3.6170   1.2230 0.1097000 2.447000 
1 1 1   35    6   10 o   33.240   0.5484 -2.613000 1.097000 
1 1 1   35    6   11 o   24.090   0.6240 -1.780000 1.248000 
1 1 1   35    6   12 o   41.240   0.7835      ?      ? 
1 1 1   35    6   13 o   10.740   1.2820 0.6327000 2.564000 
1 1 1   35    6   14 o   16.920   0.8393 -3.346000 1.679000 
1 1 1   35    6   15 o   37.040   0.5102 4.555000 1.020000 
1 1 1   35    6   16 f   10.690   1.3750 5.254000 2.750000 
1 1 1   35    6   17 o   12.660   1.0900 -0.9079000 2.180000 
1 1 1   35    6   18 o   25.030   0.6256 0.3982000 1.251000 
1 1 1   35    6   19 o   51.950   0.5870 0.3494000 1.174000 
1 1 1   35    6   20 o   55.010   0.6054 3.181000 1.211000 
1 1 1   35    6   21 o   21.650   0.7563 -0.3978000E-01 1.513000 
1 1 1   35    6   22 o   20.190   0.8210 -1.631000 1.642000 
1 1 1   35    6   23 o   25.270   0.7178 1.996000 1.436000 
1 1 1   35    6   24 o   26.220   0.7320 0.1092000 1.464000 
1 1 1   35    6   25 o   11.550   1.5870 7.988000 3.173000 
1 1 1   35    6   26 o   18.480   1.1520 -0.3682000 2.304000 
1 1 1   35    6   27 o   12.800   1.7350 5.928000 3.469000 
1 1 1   35    6   28 f   23.070   0.8749 1.512000 1.750000 
1 1 1   35    6   29 o   15.540   1.2540 -1.772000 2.508000 
1 1 1   35    6   30 o   27.200   0.7615 1.966000 1.523000 
1 1 1   35    6   31 f   7.5120   1.4380 5.566000 2.876000 
1 1 1   35    6   32 o   11.540   1.4990 0.9027000E-01 2.999000 
1 1 1   35    6   33 o   6.7880   2.8640      ?      ? 
1 1 1   35    7    0 o   38.790   0.7667 -0.000000 0.000000 
1 1 1   35    7    1 o   39.530   0.5491 -7.945000 1.098000 
1 1 1   35    7    2 o   33.800   0.5461 -0.2849000 1.092000 
1 1 1   35    7    3 o   24.620   0.6075 0.8694000 1.215000 
1 1 1   35    7    4 o   19.100   0.7190 0.3662000 1.438000 
1 1 1   35    7    5 o   43.370   0.5681 0.6017000 1.136000 
1 1 1   35    7    6 o   48.180   0.5988 4.555000 1.198000 
1 1 1   35    7    7 o   17.980   0.7572 2.648000 1.514000 
1 1 1   35    7    8 o   39.730   0.5622 6.527000 1.124000 
1 1 1   35    7    9 o   39.000   0.5592 0.7787000 1.118000 
1 1 1   35    7   10 o   44.830   0.5844 -4.224000 1.169000 
1 1 1   35    7   11 o   31.740   0.5895 -2.607000 1.179000 
1 1 1   35    7   12 o   6.5510   1.6120 -1.014000 3.223000 
1 1 1   35    7   13 o   20.380   1.1930      ?      ? 
1 1 1   35    7   14 o   21.250   0.6767 3.719000 1.353000 
1 1 1   35    7   15 o   32.050   0.5993 -0.7396000 1.199000 
1 1 1   35    7   16 f   15.490   1.1060 -0.4560000 2.211000 
1 1 1   35    7   17 o   11.370   1.3580 -6.620000 2.715000 
1 1 1   35    7   18 o   12.060   1.3370 3.177000 2.675000 
1 1 1   35    7   19 o   32.390   0.5887 1.694000 1.177000 
1 1 1   35    7   20 o   55.770   0.6237 -0.8738000 1.247000 
1 1 1   35    7   21 o   17.470   1.1500 -2.437000 2.301000 
1 1 1   35    7   22 o   7.5690   1.8770 3.770000 3.754000 
1 1 1   35    7   23 o   11.000   1.6560 3.976000 3.313000 
1 1 1   35    7   24 o   28.530   0.7161 0.6534000 1.432000 
1 1 1   35    7   25 o   13.040   1.5580 3.125000 3.117000 
1 1 1   35    7   26 o   13.770   1.5980 4.224000 3.196000 
1 1 1   35    7   27 o   19.120   1.0820 0.3092000E-01 2.164000 
1 1 1   35    7   28 o   14.950   1.5390 0.4881000E-02 3.078000 
1 1 1   35    7   29 o   11.440   1.9390 -0.1816000 3.877000 
1 1 1   35    7   30 o   19.140   1.1570 4.092000 2.314000 
1 1 1   35    7   31 o   10.760   1.6460 5.873000 3.292000 
1 1 1   35    7   32 o   15.860   1.1510 -0.4159000 2.303000 
1 1 1   35    8    0 o   16.480   1.2480 -0.000000 0.000000 
1 1 1   35    8    1 o   23.130   0.6816 0.7838000 1.363000 
1 1 1   35    8    2 o   32.740   0.5812 -3.370000 1.162000 
1 1 1   35    8    3 o   7.4550   1.5870 -4.051000 3.175000 
1 1 1   35    8    4 o   14.880   1.0070 0.7137000 2.015000 
1 1 1   35    8    5 o   28.500   0.6057 2.238000 1.211000 
1 1 1   35    8    6 o   31.160   0.5813 0.4969000 1.163000 
1 1 1   35    8    7 o   11.320   1.3050 2.906000 2.610000 
1 1 1   35    8    8 o   13.620   1.0900 -1.983000 2.181000 
1 1 1   35    8    9 o   31.680   0.5341 -0.2502000 1.068000 
1 1 1   35    8   10 o   5.8250   1.6610 -1.529000 3.322000 
1 1 1   35    8   11 o   25.920   0.6063 -2.721000 1.213000 
1 1 1   35    8   12 o   40.080   0.5488 -3.668000 1.098000 
1 1 1   35    8   13 o   23.690   0.6622 0.8985000 1.324000 
1 1 1   35    8   14 o   32.560   0.5725 1.480000 1.145000 
1 1 1   35    8   15 o   6.3470   1.6870 0.5390000 3.373000 
1 1 1   35    8   16 o   5.2050   1.6230 1.967000 3.247000 
1 1 1   35    8   17 o   27.590   0.6508 -0.3131000 1.302000 
1 1 1   35    8   18 o   10.560   1.5610 2.451000 3.123000 
1 1 1   35    8   19 o   62.200   0.6705 -1.726000 1.341000 
1 1 1   35    8   20 o   46.650   0.6130 3.853000 1.226000 
1 1 1   35    8   21 o   33.650   0.6620 -0.2442000 1.324000 
1 1 1   35    8   22 o   6.6170   1.8010 2.204000 3.602000 
1 1 1   35    8   23 o   32.530   0.8662      ?      ? 
1 1 1   35    8   24 o   14.460   1.4550 -6.297000 2.911000 
1 1 1   35    8   25 o   6.7160   1.9260 -0.4305000 3.852000 
1 1 1   35    8   26 o   11.570   1.9820 1.850000 3.964000 
1 1 1   35    8   27 o   23.230   0.9771 3.047000 1.954000 
1 1 1   35    8   28 o   16.690   1.3990 -4.449000 2.799000 
1 1 1   35    8   29 o   8.1380   1.8910 1.910000 3.782000 
1 1 1   35    8   30 o   7.6970   1.9830 -2.411000 3.967000 
1 1 1   35    8   31 o   15.590   1.2120 -3.118000 2.424000 
1 1 1   35    8   32 o   8.8550   1.7800 -6.258000 3.560000 
1 1 1   35    9    0 o   30.240   0.8834 -0.000000 0.000000 
1 1 1   35    9    1 o   53.470   0.6543 -4.998000 1.309000 
1 1 1   35    9    2 o   36.330   0.6091 -5.377000 1.218000 
1 1 1   35    9    3 o   19.450   0.8323 -2.206000 1.665000 
1 1 1   35    9    4 o   35.360   0.5978 -0.1109000 1.196000 
1 1 1   35    9    5 o   23.330   0.6611 0.2150000E-01 1.322000 
1 1 1   35    9    6 o   17.940   0.8402 1.191000 1.680000 
1 1 1   35    9    7 o   21.570   0.7220 -0.1818000 1.444000 
1 1 1   35    9    8 o   13.840   1.0930 -0.3570000 2.186000 
1 1 1   35    9    9 o   30.270   0.5902 -1.878000 1.180000 
1 1 1   35    9   10 o   11.040   1.4240 0.9182000 2.849000 
1 1 1   35    9   11 o   13.390   1.1660 2.873000 2.331000 
1 1 1   35    9   12 o   35.120   0.5757 0.2088000 1.151000 
1 1 1   35    9   13 o   7.5320   1.6210 3.872000 3.243000 
1 1 1   35    9   14 o   15.140   1.1400 -5.128000 2.279000 
1 1 1   35    9   15 o   30.640   0.6259 0.1615000 1.252000 
1 1 1   35    9   16 o   56.570   0.6411 2.959000 1.282000 
1 1 1   35    9   17 o   32.030   0.6409 0.7832000 1.282000 
1 1 1   35    9   18 o   22.270   0.8402 2.342000 1.680000 
1 1 1   35    9   19 o   39.700   0.6695 6.378000 1.339000 
1 1 1   35    9   20 o   35.890   0.6580 -0.1278000E-01 1.316000 
1 1 1   35    9   21 o   15.540   1.6630 10.37000 3.326000 
1 1 1   35    9   22 o   15.410   1.5640 7.250000 3.127000 
1 1 1   35    9   23 o   27.300   0.8333 -0.3139000 1.667000 
1 1 1   35    9   24 f   17.320   1.2590 0.4909000 2.518000 
1 1 1   35    9   25 o   18.010   1.2680 1.599000 2.537000 
1 1 1   35    9   26 o   10.890   1.9450 -1.565000 3.890000 
1 1 1   35    9   27 o   32.660   0.7525 0.6256000E-01 1.505000 
1 1 1   35    9   28 o   25.970   0.8824 1.167000 1.765000 
1 1 1   35    9   29 o   14.840   1.6940 3.975000 3.388000 
1 1 1   35    9   30 o   8.1070   1.7860 3.825000 3.573000 
1 1 1   35    9   31 o   11.870   1.6640 -2.315000 3.329000 
1 1 1   35   10    0 f   40.900   0.8753 -0.000000 0.000000 
1 1 1   35   10    1 o   46.820   0.6378 0.9433000 1.276000 
1 1 1   35   10    2 o   38.590   0.5719 -1.266000 1.144000 
1 1 1   35   10    3 o   35.040   0.5823 0.8804000 1.165000 
1 1 1   35   10    4 o   23.900   0.7123 -1.148000 1.425000 
1 1 1   35   10    5 f   15.330   1.0870 -4.766000 2.175000 
1 1 1   35   10    6 o   5.9160   1.6760 0.8064000 3.353000 
1 1 1   35   10    7 o   35.270   0.5895 2.097000 1.179000 
1 1 1   35   10    8 o   59.290   0.6477 -0.8749000 1.295000 
1 1 1   35   10    9 o   22.760   0.7412 0.5687000 1.482000 
1 1 1   35   10   10 o   22.620   0.7705 2.931000 1.541000 
1 1 1   35   10   11 o   21.190   0.8279 -1.102000 1.656000 
1 1 1   35   10   12 o   36.600   0.6109 3.482000 1.222000 
1 1 1   35   10   13 o   7.9480   1.8860 1.706000 3.771000 
1 1 1   35   10   14 o   18.400   1.1250 -1.904000 2.249000 
1 1 1   35   10   15 o   53.920   0.6390 -1.626000 1.278000 
1 1 1   35   10   16 o   52.610   0.6364 0.2713000 1.273000 
1 1 1   35   10   17 o   13.020   1.7200 -0.2836000E-01 3.441000 
1 1 1   35   10   18 o   27.150   0.7870 3.952000 1.574000 
1 1 1   35   10   19 o   28.280   0.7719 0.8056000 1.544000 
1 1 1   35   10   20 o   22.820   0.9449 0.5029000 1.890000 
1 1 1   35   10   21 f   20.460   1.2570 2.046000 2.514000 
1 1 1   35   10   22 o   25.160   0.9481 0.8811000 1.896000 
1 1 1   35   10   23 o   14.980   1.6380 3.533000 3.276000 
1 1 1   35   10   24 o   10.010   1.6830 8.281000 3.367000 
1 1 1   35   10   25 o   18.130   1.2860 -0.3874000 2.572000 
1 1 1   35   10   26 o   18.150   1.2760 -2.553000 2.552000 
1 1 1   35   10   27 o   7.4080   2.0520 -0.3959000 4.104000 
1 1 1   35   10   28 o   6.1310   1.8870 -1.952000 3.774000 
1 1 1   35   10   29 o   6.2430   1.8390 1.005000 3.677000 
1 1 1   35   10   30 o   18.840   1.1700 1.037000 2.339000 
1 1 1   35   11    0 o   76.680   0.9928 -0.000000 0.000000 
1 1 1   35   11    1 o   30.820   0.5862 -3.756000 1.172000 
1 1 1   35   11    2 o   18.930   0.8512 3.617000 1.702000 
1 1 1   35   11    3 o   38.430   0.5486 -5.794000 1.097000 
1 1 1   35   11    4 o   30.640   0.6473 1.360000 1.295000 
1 1 1   35   11    5 o   7.9700   1.8530 -0.8101000 3.706000 
1 1 1   35   11    6 o   12.520   1.4290 -1.566000 2.857000 
1 1 1   35   11    7 o   53.680   0.6329 2.017000 1.266000 
1 1 1   35   11    8 o   37.290   0.6124 2.065000 1.225000 
1 1 1   35   11    9 o   8.5600   1.8410 -1.628000 3.681000 
1 1 1   35   11   10 o   12.070   1.5110 3.351000 3.022000 
1 1 1   35   11   11 o   17.340   1.0730 2.607000 2.146000 
1 1 1   35   11   12 o   59.950   0.6703 2.749000 1.341000 
1 1 1   35   11   13 o   59.100   0.6701 -0.9991000E-01 1.340000 
1 1 1   35   11   14 o   32.580   0.6849 -3.283000 1.370000 
1 1 1   35   11   15 o   45.250   0.6441 1.675000 1.288000 
1 1 1   35   11   16 o   50.850   0.6548 0.3426000 1.310000 
1 1 1   35   11   17 o   14.590   1.6830 -2.102000 3.366000 
1 1 1   35   11   18 o   53.880   0.6757 1.943000 1.351000 
1 1 1   35   11   19 o   10.990   2.0130 -0.4292000 4.027000 
1 1 1   35   11   20 o   8.3990   2.1450 -2.676000 4.290000 
1 1 1   35   11   21 f   17.980   1.3000 2.094000 2.600000 
1 1 1   35   11   22 o   16.430   1.5270 -6.513000 3.053000 
1 1 1   35   11   23 f   6.7520   2.0250 -1.947000 4.049000 
1 1 1   35   11   24 o   34.860   0.7851 -0.8657000 1.570000 
1 1 1   35   11   25 o   6.7940   2.0180 0.1148000 4.036000 
1 1 1   35   11   26 o   14.310   1.7540 3.267000 3.509000 
1 1 1   35   11   27 o   11.150   1.9960 1.773000 3.991000 
1 1 1   35   11   28 o   5.4950   1.7810 -0.5837000 3.563000 
1 1 1   35   11   29 o   11.270   1.8680 5.055000 3.736000 
1 1 1   35   11   30 o   8.6410   2.0580 0.4160000E-01 4.116000 
1 1 1   35   12    0 o   6.1790   2.4670 -0.000000 0.000000 
1 1 1   35   12    1 o   20.590   0.8475 -0.4757000 1.695000 
1 1 1   35   12    2 o   29.770   0.6359 1.067000 1.272000 
1 1 1   35   12    3 o   9.3460   1.7790 0.2383000 3.558000 
1 1 1   35   12    4 o   18.210   0.9633 -0.1999000 1.927000 
1 1 1   35   12    5 o   43.030   0.5641 -0.9531000 1.128000 
1 1 1   35   12    6 o   44.980   0.5686 -0.1983000 1.137000 
1 1 1   35   12    7 o   50.400   0.5812 2.688000 1.162000 
1 1 1   35   12    8 o   20.730   0.8789 -0.8884000 1.758000 
1 1 1   35   12    9 o   35.090   0.5996 1.929000 1.199000 
1 1 1   35   12   10 o   10.630   1.6630 3.404000 3.325000 
1 1 1   35   12   11 o   48.820   0.6419 3.097000 1.284000 
1 1 1   35   12   12 o   41.770   0.6479 1.243000 1.296000 
1 1 1   35   12   13 o   38.320   0.6787 -1.649000 1.357000 
1 1 1   35   12   14 o   9.0580   2.0360 0.6751000 4.072000 
1 1 1   35   12   15 o   38.930   0.6236 -0.1022000 1.247000 
1 1 1   35   12   16 o   13.610   1.4430 1.491000 2.886000 
1 1 1   35   12   17 o   47.570   0.7534 -3.915000 1.507000 
1 1 1   35   12   18 o   9.2130   1.9900 -0.6701000 3.981000 
1 1 1   35   12   19 o   32.810   0.7226 2.159000 1.445000 
1 1 1   35   12   20 o   30.940   0.7583 0.9165000E-01 1.517000 
1 1 1   35   12   21 o   24.940   0.9159 -4.139000 1.832000 
1 1 1   35   12   22 o   17.780   1.2520 0.9850000E-01 2.503000 
1 1 1   35   12   23 o   13.920   1.6370 -1.244000 3.275000 
1 1 1   35   12   24 o   12.470   1.7930 -5.342000 3.587000 
1 1 1   35   12   25 o   13.150   1.6870 -0.4598000 3.375000 
1 1 1   35   12   26 o   7.9100   2.0290 -1.558000 4.058000 
1 1 1   35   12   27 o   9.9980   1.9720 -0.7329000E-01 3.944000 
1 1 1   35   12   28 o   13.060   1.6310 -5.878000 3.263000 
1 1 1   35   12   29 o   11.490   1.6730 6.064000 3.347000 
1 1 1   35   13    0 o   19.180   1.3850 -0.000000 0.000000 
1 1 1   35   13    1 o   39.910   0.6009 -0.5450000 1.202000 
1 1 1   35   13    2 o   27.220   0.7252 0.1049000 1.450000 
1 1 1   35   13    3 o   19.630   0.9771 -2.704000 1.954000 
1 1 1   35   13    4 o   49.660   0.5971 2.465000 1.194000 
1 1 1   35   13    5 o   9.9210   1.7890 -3.452000 3.578000 
1 1 1   35   13    6 o   29.150   0.7133 -1.238000 1.427000 
1 1 1   35   13    7 o   12.150   1.5920 1.223000 3.184000 
1 1 1   35   13    8 o   16.630   1.1420 1.245000 2.284000 
1 1 1   35   13    9 o   20.210   0.9733 1.246000 1.947000 
1 1 1   35   13   10 o   36.290   0.5927 1.409000 1.185000 
1 1 1   35   13   11 o   18.790   1.0020 -1.461000 2.004000 
1 1 1   35   13   12 o   21.470   0.8742 2.546000 1.748000 
1 1 1   35   13   13 o   30.910   0.6886 -1.449000 1.377000 
1 1 1   35   13   14 o   7.2570   1.9110 0.6908000E-01 3.823000 
1 1 1   35   13   15 o   22.500   0.8827 2.116000 1.765000 
1 1 1   35   13   16 o   27.570   0.7510 5.384000 1.502000 
1 1 1   35   13   17 o   9.6880   2.1060 7.078000 4.212000 
1 1 1   35   13   18 o   24.350   0.9004 0.4867000E-01 1.801000 
1 1 1   35   13   19 o   16.610   1.3280 -1.244000 2.656000 
1 1 1   35   13   20 o   8.7150   2.0320 3.355000 4.064000 
1 1 1   35   13   21 o   28.270   0.8314 0.1346000 1.663000 
1 1 1   35   13   22 f   17.610   1.2930 -0.8988000E-01 2.586000 
1 1 1   35   13   23 o   7.0270   1.9110 4.371000 3.823000 
1 1 1   35   13   24 o   9.7840   2.0370 0.5352000 4.074000 
1 1 1   35   13   25 o   10.420   1.9470 -1.721000 3.894000 
1 1 1   35   13   26 o   14.010   1.5460 -2.840000 3.093000 
1 1 1   35   13   27 o   8.4410   1.9840 -1.666000 3.969000 
1 1 1   35   13   28 o   6.1210   1.8130 2.260000 3.626000 
1 1 1   35   14    0 o   27.240   1.0820 -0.000000 0.000000 
1 1 1   35   14    1 o   20.100   0.9887 -0.7985000 1.977000 
1 1 1   35   14    2 o   9.8820   1.8020 -5.491000 3.604000 
1 1 1   35   14    3 o   46.150   0.6081 1.150000 1.216000 
1 1 1   35   14    4 o   36.360   0.6495 0.3574000 1.299000 
1 1 1   35   14    5 o   14.600   1.4350 4.379000 2.869000 
1 1 1   35   14    6 o   7.2380   1.8470 -2.244000 3.693000 
1 1 1   35   14    7 o   15.230   1.3960 -5.961000 2.793000 
1 1 1   35   14    8 o   18.500   1.0390 1.916000 2.078000 
1 1 1   35   14    9 o   39.420   0.5988 0.1468000 1.198000 
1 1 1   35   14   10 o   30.990   0.6937 -1.329000 1.387000 
1 1 1   35   14   11 o   20.910   1.0540 2.983000 2.109000 
1 1 1   35   14   12 o   19.640   1.0550 -1.064000 2.110000 
1 1 1   35   14   13 o   18.230   1.1730 -2.443000 2.345000 
1 1 1   35   14   14 o   15.000   1.4270 -0.5599000 2.855000 
1 1 1   35   14   15 o   25.480   0.9410 2.650000 1.882000 
1 1 1   35   14   16 o   13.380   1.6530 1.583000 3.305000 
1 1 1   35   14   17 o   12.350   1.8050 4.483000 3.609000 
1 1 1   35   14   18 o   11.960   1.8970 -1.928000 3.795000 
1 1 1   35   14   19 o   19.740   1.1750 2.541000 2.349000 
1 1 1   35   14   20 o   7.4790   2.0490 -0.2309000 4.099000 
1 1 1   35   14   21 o   26.340   0.9006 0.9947000 1.801000 
1 1 1   35   14   22 o   7.9080   2.0920 1.057000 4.185000 
1 1 1   35   14   23 o   17.430   1.3110 2.815000 2.622000 
1 1 1   35   14   24 f   11.700   1.8910 -1.076000 3.782000 
1 1 1   35   14   25 o   7.0160   1.9780 1.734000 3.955000 
1 1 1   35   14   26 o   7.8460   1.9760 2.373000 3.952000 
1 1 1   35   14   27 o   9.9850   1.8320 -4.182000 3.663000 
1 1 1   35   15    0 o   28.610   1.1120 -0.000000 0.000000 
1 1 1   35   15    1 o   26.830   0.8467 -0.9193000E-01 1.693000 
1 1 1   35   15    2 o   22.260   1.1130 -0.3145000 2.226000 
1 1 1   35   15    3 o   42.510   0.6446 -0.4568000 1.289000 
1 1 1   35   15    4 o   29.770   0.7327 0.6770000 1.465000 
1 1 1   35   15    5 o   33.140   0.6742 0.2482000 1.348000 
1 1 1   35   15    6 o   11.540   1.7630 3.225000 3.526000 
1 1 1   35   15    7 o   20.210   1.0120 0.4496000E-01 2.024000 
1 1 1   35   15    8 o   14.060   1.5170 -1.461000 3.034000 
1 1 1   35   15    9 o   13.150   1.6440 -1.953000 3.289000 
1 1 1   35   15   10 o   17.870   1.2240 -0.9239000 2.448000 
1 1 1   35   15   11 o   16.360   1.3690 -1.538000 2.738000 
1 1 1   35   15   12 o   24.830   0.9045 1.888000 1.809000 
1 1 1   35   15   13 o   8.5350   2.0830 0.6671000 4.166000 
1 1 1   35   15   14 f   7.4710   1.9470 -3.407000 3.893000 
1 1 1   35   15   15 o   12.840   1.7930 2.249000 3.586000 
1 1 1   35   15   16 o   12.220   1.8760 -2.234000 3.753000 
1 1 1   35   15   17 o   14.050   1.7140 1.116000 3.428000 
1 1 1   35   15   18 o   11.020   1.9580 5.909000 3.915000 
1 1 1   35   15   19 o   11.230   1.9850 4.899000 3.969000 
1 1 1   35   15   20 o   18.340   1.3220 7.229000 2.643000 
1 1 1   35   15   21 o   8.6710   2.1420 0.5693000 4.284000 
1 1 1   35   15   22 o   9.2160   2.1280 1.655000 4.257000 
1 1 1   35   15   23 o   9.4220   1.9570 6.004000 3.914000 
1 1 1   35   15   24 o   10.570   1.9960 1.207000 3.993000 
1 1 1   35   15   25 o   10.750   1.9660 1.937000 3.931000 
1 1 1   35   15   26 o   11.760   1.8190 3.884000 3.639000 
1 1 1   35   16    0 o   31.090   1.1590 -0.000000 0.000000 
1 1 1   35   16    1 o   36.900   0.6751 0.8041000 1.350000 
1 1 1   35   16    2 o   31.050   0.7637 -3.529000 1.527000 
1 1 1   35   16    3 o   26.850   0.8644 -1.718000 1.729000 
1 1 1   35   16    4 o   7.5820   2.0320 1.410000 4.065000 
1 1 1   35   16    5 o   11.000   1.9330 0.4813000 3.866000 
1 1 1   35   16    6 o   10.790   1.9770 2.726000 3.955000 
1 1 1   35   16    7 o   6.5890   1.9160 -1.118000 3.831000 
1 1 1   35   16    8 o   13.390   1.6790 6.198000 3.358000 
1 1 1   35   16    9 o   7.1300   1.9690 3.430000 3.939000 
1 1 1   35   16   10 o   6.1980   1.9060 0.5812000 3.811000 
1 1 1   35   16   11 o   10.960   1.9620 -4.119000 3.924000 
1 1 1   35   16   12 o   10.720   1.9990 4.853000 3.999000 
1 1 1   35   16   13 o   10.070   1.9970 6.470000 3.993000 
1 1 1   35   16   14 o   8.3920   2.0760 4.769000 4.152000 
1 1 1   35   16   15 o   12.940   1.8880 3.814000 3.776000 
1 1 1   35   16   16 o   11.350   1.9860 5.442000 3.973000 
1 1 1   35   16   17 o   8.1520   2.1150 -1.411000 4.231000 
1 1 1   35   16   18 o   7.3180   2.0880 1.542000 4.176000 
1 1 1   35   16   19 o   7.9490   2.1140 2.309000 4.229000 
1 1 1   35   16   20 o   9.3430   2.1430 2.357000 4.286000 
1 1 1   35   16   21 o   7.7900   2.0370 4.299000 4.074000 
1 1 1   35   16   22 o   8.7790   2.1170 -1.565000 4.235000 
1 1 1   35   16   23 o   8.6730   1.8560 -5.520000 3.712000 
1 1 1   35   16   24 o   10.350   1.9980 2.496000 3.996000 
1 1 1   35   16   25 o   7.0150   2.0160 0.3501000 4.033000 
1 1 1   35   17    0 o   42.050   0.8607 -0.000000 0.000000 
1 1 1   35   17    1 o   25.860   0.8538 2.511000 1.708000 
1 1 1   35   17    2 o   11.300   2.0260 -0.8861000 4.052000 
1 1 1   35   17    3 o   9.8600   2.0530 -2.458000 4.106000 
1 1 1   35   17    4 o   18.540   1.2700 0.3127000 2.540000 
1 1 1   35   17    5 o   15.690   1.5570 -1.119000 3.114000 
1 1 1   35   17    6 o   10.460   2.0640 3.953000 4.127000 
1 1 1   35   17    7 o   14.020   1.7940 -5.666000 3.588000 
1 1 1   35   17    8 o   15.510   1.5800 1.972000 3.159000 
1 1 1   35   17    9 o   8.8050   2.0490 -3.222000 4.098000 
1 1 1   35   17   10 o   14.040   1.7360 4.592000 3.472000 
1 1 1   35   17   11 o   12.630   1.9480 -3.313000 3.895000 
1 1 1   35   17   12 o   17.980   1.3850 1.040000 2.770000 
1 1 1   35   17   13 o   11.310   2.1090 2.096000 4.218000 
1 1 1   35   17   14 o   12.280   1.9640 5.512000 3.928000 
1 1 1   35   17   15 o   11.290   2.1310 -0.3859000 4.261000 
1 1 1   35   17   16 o   13.240   1.8920 -7.437000 3.784000 
1 1 1   35   17   17 o   8.7590   2.1770 0.4245000 4.354000 
1 1 1   35   17   18 o   19.560   1.2330 1.770000 2.467000 
1 1 1   35   17   19 o   11.370   2.0620 0.2812000 4.124000 
1 1 1   35   17   20 o   10.360   2.1240 2.728000 4.247000 
1 1 1   35   17   21 o   6.8330   1.9410 4.334000 3.882000 
1 1 1   35   17   22 o   7.4890   2.0740 0.2179000 4.147000 
1 1 1   35   17   23 o   9.9550   2.0700 -1.190000 4.140000 
1 1 1   35   18    0 o   6.4140   2.7640 -0.000000 0.000000 
1 1 1   35   18    1 o   8.3200   2.0420 3.444000 4.083000 
1 1 1   35   18    2 o   13.940   1.7380 8.000000 3.477000 
1 1 1   35   18    3 o   11.920   1.9190 -1.387000 3.838000 
1 1 1   35   18    4 o   13.930   1.8140 0.6352000E-01 3.629000 
1 1 1   35   18    5 o   15.110   1.6910 2.475000 3.382000 
1 1 1   35   18    6 o   17.380   1.4680 4.151000 2.935000 
1 1 1   35   18    7 o   14.240   1.8580 -3.757000 3.717000 
1 1 1   35   18    8 o   12.000   1.8170 -9.622000 3.634000 
1 1 1   35   18    9 o   16.920   1.5000 2.158000 3.001000 
1 1 1   35   18   10 o   10.340   2.1560 3.867000 4.312000 
1 1 1   35   18   11 o   9.3420   2.3850 0.6699000 4.770000 
1 1 1   35   18   12 o   8.9770   2.2380 0.5354000 4.476000 
1 1 1   35   18   13 o   14.450   1.7710 3.802000 3.542000 
1 1 1   35   18   14 o   13.290   1.9010 -6.734000 3.802000 
1 1 1   35   18   15 o   21.000   1.2490 -3.375000 2.498000 
1 1 1   35   18   16 o   8.0780   2.1290 -1.503000 4.258000 
1 1 1   35   18   17 o   13.650   1.8580 -1.074000 3.717000 
1 1 1   35   18   18 o   6.3090   1.9390 -0.6204000 3.878000 
1 1 1   35   18   19 o   6.2790   1.8900 -2.085000 3.780000 
1 1 1   35   18   20 o   9.8160   2.1360 -1.239000 4.273000 
1 1 1   35   18   21 o   7.8930   2.1010 2.481000 4.203000 
1 1 1   35   18   22 o   8.3520   2.1670 1.872000 4.333000 
1 1 1   35   19    0 o   11.160   2.9980 -0.000000 0.000000 
1 1 1   35   19    1 o   16.260   1.5100 -1.216000 3.020000 
1 1 1   35   19    2 o   6.9530   1.9990 2.878000 3.998000 
1 1 1   35   19    3 o   9.5760   2.0960 -3.553000 4.193000 
1 1 1   35   19    4 o   16.420   1.5120 -3.277000 3.025000 
1 1 1   35   19    5 o   12.340   1.9930 2.307000 3.986000 
1 1 1   35   19    6 o   8.1090   2.2070 -0.5020000 4.413000 
1 1 1   35   19    7 o   8.8050   2.1620 -2.851000 4.324000 
1 1 1   35   19    8 o   8.2610   2.1960 -1.496000 4.392000 
1 1 1   35   19    9 o   8.1330   2.0440 6.060000 4.088000 
1 1 1   35   19   10 o   14.060   1.8890 0.3449000 3.778000 
1 1 1   35   19   11 o   15.400   1.6910 -0.3468000 3.382000 
1 1 1   35   19   12 o   12.280   2.0370 1.052000 4.073000 
1 1 1   35   19   13 o   14.620   1.7360 -0.5130000 3.473000 
1 1 1   35   19   14 o   8.5880   2.1520 3.924000 4.305000 
1 1 1   35   19   15 o   8.5910   2.1500 3.080000 4.300000 
1 1 1   35   19   16 o   8.6640   2.1130 4.430000 4.226000 
1 1 1   35   19   17 o   7.2970   2.0790 2.158000 4.158000 
1 1 1   35   19   18 o   8.4740   2.1550 2.251000 4.311000 
1 1 1   35   19   19 o   9.6140   2.1330 3.131000 4.267000 
1 1 1   35   19   20 o   8.7710   2.0410 -3.159000 4.083000 
1 1 1   35   20    0 o   15.260   2.3180 -0.000000 0.000000 
1 1 1   35   20    1 o   8.3570   2.1740 -1.509000 4.349000 
1 1 1   35   20    2 o   11.830   2.0540 -1.684000 4.108000 
1 1 1   35   20    3 o   12.860   1.9210 -0.4919000 3.842000 
1 1 1   35   20    4 o   12.180   2.0130 1.772000 4.025000 
1 1 1   35   20    5 o   13.480   2.0080 -7.630000 4.016000 
1 1 1   35   20    6 o   18.980   1.3010 0.9820000 2.603000 
1 1 1   35   20    7 o   8.7470   2.2610 -0.1839000E-01 4.523000 
1 1 1   35   20    8 o   6.5950   2.0400 2.690000 4.080000 
1 1 1   35   20    9 o   10.790   2.2490 0.6975000 4.498000 
1 1 1   35   20   10 o   8.4520   2.2270 0.2569000 4.455000 
1 1 1   35   20   11 o   18.410   1.4230 -1.773000 2.846000 
1 1 1   35   20   12 o   8.6630   2.0830 -3.470000 4.166000 
1 1 1   35   20   13 o   7.3550   1.9750 -3.604000 3.950000 
1 1 1   35   20   14 o   9.5710   2.1430 4.616000 4.287000 
1 1 1   35   20   15 o   8.0020   1.9670 6.379000 3.933000 
1 1 1   35   20   16 o   11.310   2.2050 -0.2901000 4.409000 
1 1 1   35   20   17 o   6.4780   1.9420 -0.8930000 3.884000 
1 1 1   35   20   18 o   7.0710   2.0780 1.369000 4.155000 
1 1 1   35   21    0 o   6.1020   2.7320 -0.000000 0.000000 
1 1 1   35   21    1 o   10.770   2.1330 3.278000 4.266000 
1 1 1   35   21    2 o   8.5860   2.2090 -1.152000 4.417000 
1 1 1   35   21    3 o   6.8030   2.0540 -0.1559000 4.107000 
1 1 1   35   21    4 o   9.2130   2.1590 -2.885000 4.318000 
1 1 1   35   21    5 o   16.640   1.5740 5.740000 3.148000 
1 1 1   35   21    6 o   8.8040   2.1840 1.152000 4.367000 
1 1 1   35   21    7 o   9.2660   2.0300 4.795000 4.060000 
1 1 1   35   21    8 o   9.4970   2.0570 -4.519000 4.115000 
1 1 1   35   21    9 o   9.9680   2.2240 3.022000 4.449000 
1 1 1   35   21   10 o   10.760   2.1760 2.109000 4.352000 
1 1 1   35   21   11 o   7.2960   2.0950 1.805000 4.190000 
1 1 1   35   21   12 o   6.9010   2.0620 0.4985000 4.123000 
1 1 1   35   21   13 o   6.2470   1.9080 -1.592000 3.816000 
1 1 1   35   21   14 o   9.7130   2.0960 4.534000 4.191000 
1 1 1   35   21   15 o   5.5670   1.8080 0.6636000 3.615000 
1 1 1   35   22    0 o   11.910   2.8520 -0.000000 0.000000 
1 1 1   35   22    1 o   6.6720   1.9960 -1.282000 3.993000 
1 1 1   35   22    2 o   8.7550   2.1560 -1.459000 4.313000 
1 1 1   35   22    3 o   6.9850   1.9440 3.838000 3.889000 
1 1 1   35   22    4 o   11.930   1.9480 -4.667000 3.897000 
1 1 1   35   22    5 f   5.8350   1.8520 2.209000 3.705000 
1 1 1   35   22    6 o   8.4850   2.1330 2.141000 4.265000 
1 1 1   35   22    7 o   6.1660   1.9170 1.093000 3.833000 
1 1 1   35   22    8 o   5.8850   1.8300 2.862000 3.660000 
1 1 1   35   22    9 o   9.1520   1.8820 6.269000 3.765000 
1 1 1   35   22   10 o   6.5540   1.9440 -1.747000 3.888000 
1 1 1   35   22   11 o   6.1800   1.9190 0.1764000 3.839000 
1 1 1   35   22   12 o   6.1110   1.9060 -0.6371000E-01 3.812000 
1 1 1   35   23    0 f   5.4110   2.5290 -0.000000 0.000000 
1 1 1   35   23    1 o   9.3080   1.9730 -5.902000 3.946000 
1 1 1   35   23    2 o   6.0860   1.8960 1.618000 3.791000 
1 1 1   35   23    3 o   9.4340   2.0800 3.259000 4.161000 
1 1 1   35   23    4 o   6.1720   1.9090 -0.5012000 3.818000 
1 1 1   35   23    5 o   8.1680   2.0470 -2.928000 4.095000 
1 1 1   35   23    6 o   9.1520   2.1000 -0.5186000 4.199000 
1 1 1   35   23    7 o   6.7640   1.9690 -0.6408000 3.938000 
1 1 1   36    0    0 o  158.000   3.3010 -0.000000 0.000000 
1 1 1   36    0    1 o   50.140   0.6538 -0.000000 0.000000 
1 1 1   36    0    2 o   61.160   0.7686 -0.000000 0.000000 
1 1 1   36    0    3 o   53.550   0.6907 -0.000000 0.000000 
1 1 1   36    0    4 o  104.500   1.2680 -0.000000 0.000000 
1 1 1   36    0    5 o   4.7350   1.6910 -0.000000 0.000000 
1 1 1   36    0    6 o   16.010   0.7114 -0.000000 0.000000 
1 1 1   36    0    7 o   24.200   0.7018 -0.000000 0.000000 
1 1 1   36    0    8 o   77.220   1.1660 -0.000000 0.000000 
1 1 1   36    0    9 o   54.760   0.8701 -0.000000 0.000000 
1 1 1   36    0   10 o   70.090   1.0660 -0.000000 0.000000 
1 1 1   36    0   11 o   4.7070   1.8860 -0.000000 0.000000 
1 1 1   36    0   12 o   12.930   1.0780 -0.000000 0.000000 
1 1 1   36    0   13 o   25.160   0.7049 -0.000000 0.000000 
1 1 1   36    0   14 o   22.190   0.7388 -0.000000 0.000000 
1 1 1   36    0   15 o   27.300   0.7059 -0.000000 0.000000 
1 1 1   36    0   16 o   56.550   0.9009 -0.000000 0.000000 
1 1 1   36    0   17 o   14.780   1.0550 -0.000000 0.000000 
1 1 1   36    0   18 f   37.030   0.7282 -0.000000 0.000000 
1 1 1   36    0   19 o   10.150   1.5330 -0.000000 0.000000 
1 1 1   36    0   20 o   87.000   1.3140 -0.000000 0.000000 
1 1 1   36    0   21 o   6.7000   2.1010 -0.000000 0.000000 
1 1 1   36    0   22 o   8.5790   1.9110 -0.000000 0.000000 
1 1 1   36    0   23 o   64.220   1.0210 -0.000000 0.000000 
1 1 1   36    0   24 o   38.200   0.7843 -0.000000 0.000000 
1 1 1   36    0   25 o   17.610   1.0490 -0.000000 0.000000 
1 1 1   36    0   26 o   48.240   0.8889 -0.000000 0.000000 
1 1 1   36    0   27 o   17.860   2.8040 -0.000000 0.000000 
1 1 1   36    0   28 o   18.020   3.0500 -0.000000 0.000000 
1 1 1   36    0   29 o   8.9720   3.6590 -0.000000 0.000000 
1 1 1   36    0   30 o   9.3020   3.6810 -0.000000 0.000000 
1 1 1   36    0   31 o   22.210   2.3500 -0.000000 0.000000 
1 1 1   36    0   32 o   28.880   1.7650 -0.000000 0.000000 
1 1 1   36    0   33 o   13.820   3.4570 -0.000000 0.000000 
1 1 1   36    1    0 o   31.510   0.6492 -0.000000 0.000000 
1 1 1   36    1    1 o   53.290   0.5954 6.760000 1.191000 
1 1 1   36    1    2 f   73.800   0.7879 -3.355000 1.576000 
1 1 1   36    1    3 o   55.180   0.5601 -2.761000 1.120000 
1 1 1   36    1    4 o   18.930   0.4955 3.521000 0.9909000 
1 1 1   36    1    5 o   28.880   0.4151 0.1450000 0.8302000 
1 1 1   36    1    6 o   69.880   0.6832 1.127000 1.366000 
1 1 1   36    1    7 o   26.540   0.5344      ?      ? 
1 1 1   36    1    8 f   62.950   0.6324 -7.657000 1.265000 
1 1 1   36    1    9 o   24.930   0.4279 -3.638000 0.8557000 
1 1 1   36    1   10 o   53.080   0.4862 -3.013000 0.9724000 
1 1 1   36    1   11 o   26.860   0.3790 -0.9100000 0.7580000 
1 1 1   36    1   12 o   27.550   0.3872 -1.670000 0.7744000 
1 1 1   36    1   13 o   26.450   0.3946 -2.286000 0.7891000 
1 1 1   36    1   14 o   17.340   0.5033 1.397000 1.007000 
1 1 1   36    1   15 o   35.880   0.4515 -7.457000 0.9030000 
1 1 1   36    1   16 o   40.670   0.4762 -5.614000 0.9524000 
1 1 1   36    1   17 o   51.410   0.5401 0.8295000 1.080000 
1 1 1   36    1   18 o   16.870   0.5918 -1.752000 1.184000 
1 1 1   36    1   19 o   40.720   0.4796 1.452000 0.9591000 
1 1 1   36    1   20 o   19.090   0.5595 0.3569000 1.119000 
1 1 1   36    1   21 o   16.440   0.6275 -1.716000 1.255000 
1 1 1   36    1   22 o   18.420   0.6910 -0.5028000 1.382000 
1 1 1   36    1   23 f   20.700   0.6648 3.073000 1.330000 
1 1 1   36    1   24 o   32.380   0.5564 -1.838000 1.113000 
1 1 1   36    1   25 o   17.780   0.7478 -1.353000 1.496000 
1 1 1   36    1   26 o   28.760   0.5107 -0.5392000 1.021000 
1 1 1   36    1   27 o   41.180   0.8937 -0.6793000 1.787000 
1 1 1   36    1   28 o   13.250   1.9640 1.934000 3.928000 
1 1 1   36    1   29 f   9.0140   2.5960 1.794000 5.192000 
1 1 1   36    1   30 o   29.280   1.3420 -0.1384000 2.685000 
1 1 1   36    1   31 o   13.870   2.4240 -4.553000 4.847000 
1 1 1   36    1   32 o   8.2370   2.4270 0.3361000E-01 4.854000 
1 1 1   36    1   33 o   6.8930   2.2210 0.1861000 4.442000 
1 1 1   36    2    0 o   25.580   0.6575 -0.000000 0.000000 
1 1 1   36    2    1 o   68.590   0.7365 2.340000 1.473000 
1 1 1   36    2    2 o   99.620   1.0480 3.604000 2.096000 
1 1 1   36    2    3 o   38.910   0.4857 -2.109000 0.9713000 
1 1 1   36    2    4 f   33.150   0.4607 3.512000 0.9214000 
1 1 1   36    2    5 f   80.680   0.8582 8.314000 1.716000 
1 1 1   36    2    6 o   68.360   0.7361 2.946000 1.472000 
1 1 1   36    2    7 o   19.350   0.5416 1.470000 1.083000 
1 1 1   36    2    8 o   18.250   0.5628 3.220000 1.126000 
1 1 1   36    2    9 o   21.540   0.5004 0.7359000 1.001000 
1 1 1   36    2   10 o   68.660   0.7400 -0.2442000E-01 1.480000 
1 1 1   36    2   11 o   62.900   0.6872 -1.481000 1.374000 
1 1 1   36    2   12 o   23.700   0.5052 4.121000 1.010000 
1 1 1   36    2   13 o   31.040   0.4809 0.4651000 0.9618000 
1 1 1   36    2   14 o   38.860   0.5088 3.002000 1.018000 
1 1 1   36    2   15 o   53.670   0.6101 -5.140000 1.220000 
1 1 1   36    2   16 o   27.270   0.4589 -3.555000 0.9178000 
1 1 1   36    2   17 o   39.040   0.4747 0.8202000E-01 0.9494000 
1 1 1   36    2   18 o   54.070   0.5664 -1.104000 1.133000 
1 1 1   36    2   19 o   36.860   0.4824 -0.9155000 0.9649000 
1 1 1   36    2   20 o   14.300   0.8607 4.626000 1.721000 
1 1 1   36    2   21 f   14.530   0.7927 0.3648000 1.585000 
1 1 1   36    2   22 o   35.240   0.5928 -0.5623000 1.186000 
1 1 1   36    2   23 o   16.980   0.7417 -0.7737000 1.483000 
1 1 1   36    2   24 o   27.030   0.5236 0.2143000 1.047000 
1 1 1   36    2   25 o   41.960   0.5115 -1.144000 1.023000 
1 1 1   36    2   26 o   32.990   0.5089 -0.8094000 1.018000 
1 1 1   36    2   27 o   33.160   0.5954 -0.7078000 1.191000 
1 1 1   36    2   28 o   9.0670   1.4370 -5.800000 2.874000 
1 1 1   36    2   29 o   10.410   2.3160 4.451000 4.631000 
1 1 1   36    2   30 o   17.140   1.5500 2.561000 3.100000 
1 1 1   36    2   31 o   14.040   2.3970 -3.879000 4.795000 
1 1 1   36    2   32 o   15.960   2.1790 0.8678000 4.358000 
1 1 1   36    2   33 o   11.040   2.5180 -3.842000 5.036000 
1 1 1   36    3    0 o   17.550   0.8220 -0.000000 0.000000 
1 1 1   36    3    1 o   21.910   0.5302 9.601000 1.060000 
1 1 1   36    3    2 o   34.490   0.6705      ?      ? 
1 1 1   36    3    3 o   60.820   0.6667 0.8626000 1.333000 
1 1 1   36    3    4 o   45.280   0.5397 -8.669000 1.079000 
1 1 1   36    3    5 o   50.510   0.5779 4.602000 1.156000 
1 1 1   36    3    6 f   62.500   0.6835 -0.2883000 1.367000 
1 1 1   36    3    7 o   36.770   0.4848 -3.814000 0.9696000 
1 1 1   36    3    8 o   7.7860   1.2420 2.011000 2.484000 
1 1 1   36    3    9 o   29.500   0.4655 -1.031000 0.9310000 
1 1 1   36    3   10 o   64.680   0.7058 0.7500000E-01 1.412000 
1 1 1   36    3   11 o   25.770   0.5017 1.444000 1.003000 
1 1 1   36    3   12 o   38.910   0.5053 3.777000 1.011000 
1 1 1   36    3   13 o   15.630   0.7159 1.246000 1.432000 
1 1 1   36    3   14 o   6.3980   1.2560 4.707000 2.511000 
1 1 1   36    3   15 o   41.070   0.5307 2.558000 1.061000 
1 1 1   36    3   16 o   51.790   0.5996 -0.4456000 1.199000 
1 1 1   36    3   17 o   37.330   0.5251 1.984000 1.050000 
1 1 1   36    3   18 o   16.620   0.7959 4.294000 1.592000 
1 1 1   36    3   19 o   33.940   0.5397 -0.8773000 1.079000 
1 1 1   36    3   20 o   8.0390   1.5490 -0.9960000 3.099000 
1 1 1   36    3   21 o   25.290   0.6388 4.193000 1.278000 
1 1 1   36    3   22 o   46.950   0.5496 -1.059000 1.099000 
1 1 1   36    3   23 o   23.500   0.6194 -0.5488000 1.239000 
1 1 1   36    3   24 o   40.470   0.5116 1.712000 1.023000 
1 1 1   36    3   25 o   12.720   1.2020 2.933000 2.404000 
1 1 1   36    3   26 o   8.5470   1.4930 0.6124000 2.985000 
1 1 1   36    3   27 o   8.6200   1.4520 3.326000 2.903000 
1 1 1   36    3   28 o   18.400   0.9562 -1.161000 1.912000 
1 1 1   36    3   29 o   9.3250   1.7750 2.608000 3.551000 
1 1 1   36    3   30 o   9.6120   1.5820 4.156000 3.164000 
1 1 1   36    3   31 o   17.990   0.8643 1.426000 1.729000 
1 1 1   36    3   32 o   12.230   1.8880 -1.500000 3.775000 
1 1 1   36    3   33 o   13.290   1.6200 -4.140000 3.240000 
1 1 1   36    4    0 o  118.600   1.7590 -0.000000 0.000000 
1 1 1   36    4    1 o   33.520   0.4875 -2.115000 0.9750000 
1 1 1   36    4    2 o   59.630   0.6598 -0.8653000 1.320000 
1 1 1   36    4    3 o   13.950   0.7607 -2.866000 1.521000 
1 1 1   36    4    4 o   24.340   0.5059 1.817000 1.012000 
1 1 1   36    4    5 o   19.000   0.5890 -1.759000 1.178000 
1 1 1   36    4    6 o   49.950   0.5766 -2.170000 1.153000 
1 1 1   36    4    7 o   13.970   0.7689 -2.148000 1.538000 
1 1 1   36    4    8 o   35.810   0.4951 -2.236000 0.9902000 
1 1 1   36    4    9 o   17.510   0.6389 -1.327000 1.278000 
1 1 1   36    4   10 o   19.080   0.6290 -1.896000 1.258000 
1 1 1   36    4   11 o   22.810   0.5611 -0.8746000 1.122000 
1 1 1   36    4   12 o   13.970   0.8819 5.292000 1.764000 
1 1 1   36    4   13 o   31.320   0.5081 -1.228000 1.016000 
1 1 1   36    4   14 o   20.060   0.6378 3.726000 1.276000 
1 1 1   36    4   15 o   14.350   1.0570 8.960000 2.114000 
1 1 1   36    4   16 o   36.520   0.5331 3.316000 1.066000 
1 1 1   36    4   17 o   38.840   0.5473 0.7606000 1.095000 
1 1 1   36    4   18 o   38.160   0.5488 -0.8571000 1.098000 
1 1 1   36    4   19 o   50.710   0.6172 2.579000 1.234000 
1 1 1   36    4   20 o   41.970   0.5294 -1.241000 1.059000 
1 1 1   36    4   21 o   8.4000   1.5180 1.877000 3.036000 
1 1 1   36    4   22 o   12.620   1.2060 2.296000 2.412000 
1 1 1   36    4   23 o   30.410   0.5749 1.007000 1.150000 
1 1 1   36    4   24 o   33.700   0.5771 -2.169000 1.154000 
1 1 1   36    4   25 o   33.170   0.6002 -0.7887000 1.200000 
1 1 1   36    4   26 o   24.210   0.7210 -0.4823000 1.442000 
1 1 1   36    4   27 o   16.540   1.0650 1.035000 2.129000 
1 1 1   36    4   28 f   6.1450   1.6940 -3.545000 3.388000 
1 1 1   36    4   29 o   9.3500   1.4920 5.288000 2.983000 
1 1 1   36    4   30 o   11.080   1.4470 1.361000 2.894000 
1 1 1   36    4   31 o   7.2970   1.8410 0.5505000 3.683000 
1 1 1   36    4   32 f   8.1440   1.8360 1.536000 3.671000 
1 1 1   36    4   33 o   5.8510   1.6700 1.130000 3.340000 
1 1 1   36    5    0 o   7.3140   2.1240 -0.000000 0.000000 
1 1 1   36    5    1 o   63.920   0.7068 -4.931000 1.414000 
1 1 1   36    5    2 o   6.8020   1.4720 2.206000 2.944000 
1 1 1   36    5    3 o   74.620   0.8045 2.717000 1.609000 
1 1 1   36    5    4 o   63.040   0.6971 -8.778000 1.394000 
1 1 1   36    5    5 f   55.750   0.6306 -0.7545000 1.261000 
1 1 1   36    5    6 o   34.300   0.5095 -6.201000 1.019000 
1 1 1   36    5    7 o   57.380   0.6463 -1.314000 1.293000 
1 1 1   36    5    8 f   15.420   0.7763 0.9241000 1.553000 
1 1 1   36    5    9 o   60.520   0.6768 -0.2729000 1.354000 
1 1 1   36    5   10 o   25.420   0.5739 6.393000 1.148000 
1 1 1   36    5   11 o   22.580   0.8445      ?      ? 
1 1 1   36    5   12 o   14.290   0.9087 3.634000 1.817000 
1 1 1   36    5   13 o   23.990   0.6201 -0.8248000E-01 1.240000 
1 1 1   36    5   14 o   5.6010   1.5630 0.5443000 3.126000 
1 1 1   36    5   15 o   9.3700   1.3760 5.732000 2.752000 
1 1 1   36    5   16 o   29.670   0.5747 -0.1720000 1.149000 
1 1 1   36    5   17 o   51.840   0.6227 1.997000 1.245000 
1 1 1   36    5   18 o   50.200   0.5662 -0.2618000 1.132000 
1 1 1   36    5   19 o   35.800   0.5296 -0.1482000 1.059000 
1 1 1   36    5   20 o   29.430   0.5660 -0.6505000 1.132000 
1 1 1   36    5   21 f   37.710   0.5539 1.085000 1.108000 
1 1 1   36    5   22 o   45.410   0.5684 -0.8248000 1.137000 
1 1 1   36    5   23 o   24.610   0.6832 -0.9106000 1.366000 
1 1 1   36    5   24 o   22.410   0.8683 4.087000 1.737000 
1 1 1   36    5   25 o   14.250   1.2570 0.9131000 2.515000 
1 1 1   36    5   26 f   12.000   1.4900 -1.271000 2.981000 
1 1 1   36    5   27 f   34.180   0.6358 -2.440000 1.272000 
1 1 1   36    5   28 o   47.360   0.6299 -3.538000 1.260000 
1 1 1   36    5   29 o   34.240   0.6508 -1.784000 1.302000 
1 1 1   36    5   30 o   5.9810   1.5950 1.991000 3.190000 
1 1 1   36    5   31 o   8.4740   1.5760 3.347000 3.153000 
1 1 1   36    5   32 o   20.710   0.8070 -0.9529000 1.614000 
1 1 1   36    5   33 o   7.3950   1.7690 -3.780000 3.537000 
1 1 1   36    6    0 o   48.640   0.8297 -0.000000 0.000000 
1 1 1   36    6    1 o   52.380   0.6148 2.529000 1.230000 
1 1 1   36    6    2 o   22.470   0.6052 0.3812000 1.210000 
1 1 1   36    6    3 o   26.740   0.5604 -0.5534000 1.121000 
1 1 1   36    6    4 o   10.700   1.1760 -2.623000 2.351000 
1 1 1   36    6    5 o   9.7780   1.3100 -4.536000 2.619000 
1 1 1   36    6    6 o   8.4800   1.3660 5.331000 2.732000 
1 1 1   36    6    7 o   58.700   0.6634 0.8531000 1.327000 
1 1 1   36    6    8 o   10.970   1.1970 1.972000 2.394000 
1 1 1   36    6    9 o   23.930   0.6094 -3.823000 1.219000 
1 1 1   36    6   10 o   48.800   0.5966 4.368000 1.193000 
1 1 1   36    6   11 o   34.600   0.7749      ?      ? 
1 1 1   36    6   12 o   19.230   0.7519 -1.329000 1.504000 
1 1 1   36    6   13 f   22.580   0.6610 -5.872000 1.322000 
1 1 1   36    6   14 o   29.440   0.5731 2.491000 1.146000 
1 1 1   36    6   15 o   15.660   0.8591 1.881000 1.718000 
1 1 1   36    6   16 o   42.580   0.5314 1.558000 1.063000 
1 1 1   36    6   17 o   29.600   0.5616 0.7854000 1.123000 
1 1 1   36    6   18 o   12.750   1.1810 3.151000 2.363000 
1 1 1   36    6   19 o   41.640   0.5534 1.143000 1.107000 
1 1 1   36    6   20 o   31.270   0.5857 -0.7116000 1.171000 
1 1 1   36    6   21 o   20.470   0.8074 -0.5261000 1.615000 
1 1 1   36    6   22 o   15.980   1.1700 1.864000 2.340000 
1 1 1   36    6   23 o   14.580   1.3830 7.095000 2.767000 
1 1 1   36    6   24 o   29.450   0.6865 0.6941000 1.373000 
1 1 1   36    6   25 o   29.900   0.6951 -1.043000 1.390000 
1 1 1   36    6   26 o   36.080   0.6544 0.1751000 1.309000 
1 1 1   36    6   27 o   31.080   0.6840 -1.661000 1.368000 
1 1 1   36    6   28 o   15.830   1.2380 0.8810000 2.475000 
1 1 1   36    6   29 o   12.540   1.5530 -1.121000 3.107000 
1 1 1   36    6   30 o   20.990   0.9370 1.058000 1.874000 
1 1 1   36    6   31 o   17.860   1.0140 -2.448000 2.028000 
1 1 1   36    6   32 o   7.4780   1.7250 -5.287000 3.451000 
1 1 1   36    7    0 o   26.140   0.8437 -0.000000 0.000000 
1 1 1   36    7    1 o   43.210   0.5655 -1.203000 1.131000 
1 1 1   36    7    2 o   28.640   0.5689 3.499000 1.138000 
1 1 1   36    7    3 o   13.640   0.9858 -2.756000 1.972000 
1 1 1   36    7    4 o   9.3480   1.3600 -6.595000 2.720000 
1 1 1   36    7    5 o   5.7810   1.4420 3.948000 2.884000 
1 1 1   36    7    6 o   52.500   0.6253 0.7179000 1.251000 
1 1 1   36    7    7 o   23.780   0.6314 1.889000 1.263000 
1 1 1   36    7    8 o   6.8180   1.6030 2.260000 3.207000 
1 1 1   36    7    9 o   42.980   0.5738 -0.6076000 1.148000 
1 1 1   36    7   10 o   16.980   0.8458 0.2002000 1.692000 
1 1 1   36    7   11 o   35.860   0.5726 2.899000 1.145000 
1 1 1   36    7   12 o   22.330   0.7244 -5.112000 1.449000 
1 1 1   36    7   13 o   45.860   0.5451 -0.3169000 1.090000 
1 1 1   36    7   14 o   35.220   0.5344 0.3870000 1.069000 
1 1 1   36    7   15 o   19.260   0.8398 6.691000 1.680000 
1 1 1   36    7   16 o   52.660   0.5908 -2.491000 1.182000 
1 1 1   36    7   17 o   17.480   0.8768 -1.698000 1.754000 
1 1 1   36    7   18 o   29.830   0.5977 0.9437000 1.195000 
1 1 1   36    7   19 o   11.610   1.5130 9.277000 3.026000 
1 1 1   36    7   20 o   12.960   1.4480 6.169000 2.896000 
1 1 1   36    7   21 o   39.290   0.5930 -2.026000 1.186000 
1 1 1   36    7   22 o   49.970   0.6146 0.3353000 1.229000 
1 1 1   36    7   23 o   24.340   0.7917 -1.113000 1.583000 
1 1 1   36    7   24 o   32.690   0.6668 0.8967000 1.334000 
1 1 1   36    7   25 o   18.160   1.0780 0.4811000 2.156000 
1 1 1   36    7   26 o   17.200   1.3040 4.118000 2.608000 
1 1 1   36    7   27 o   24.930   0.8364 -2.863000 1.673000 
1 1 1   36    7   28 o   32.120   0.7159 0.9493000 1.432000 
1 1 1   36    7   29 o   25.120   0.8580 1.794000 1.716000 
1 1 1   36    7   30 o   22.970   0.9435 1.631000 1.887000 
1 1 1   36    7   31 o   10.290   1.7670 0.5697000 3.534000 
1 1 1   36    7   32 o   6.5980   1.7550 1.418000 3.511000 
1 1 1   36    8    0 o   11.830   1.8430 -0.000000 0.000000 
1 1 1   36    8    1 o   35.700   0.5788 -3.282000 1.158000 
1 1 1   36    8    2 o   19.650   0.8000 -3.187000 1.600000 
1 1 1   36    8    3 o   48.400   0.6115 1.871000 1.223000 
1 1 1   36    8    4 o   50.730   0.6253 3.168000 1.251000 
1 1 1   36    8    5 o   33.270   0.5800 1.091000 1.160000 
1 1 1   36    8    6 o   8.6710   1.6570 1.032000 3.314000 
1 1 1   36    8    7 o   49.360   0.6142 0.3686000 1.228000 
1 1 1   36    8    8 o   26.020   0.6440 3.583000 1.288000 
1 1 1   36    8    9 o   23.400   0.6807 1.398000 1.361000 
1 1 1   36    8   10 o   34.560   0.5471 2.077000 1.094000 
1 1 1   36    8   11 o   11.030   1.3150 -0.4995000 2.630000 
1 1 1   36    8   12 o   33.230   0.5566 -2.810000 1.113000 
1 1 1   36    8   13 o   13.840   1.1010 -2.506000 2.201000 
1 1 1   36    8   14 o   19.290   0.8194 3.572000 1.639000 
1 1 1   36    8   15 o   17.360   0.9155 2.754000 1.831000 
1 1 1   36    8   16 o   27.010   0.6383 -0.7657000 1.277000 
1 1 1   36    8   17 f   44.520   0.6467 1.251000 1.293000 
1 1 1   36    8   18 o   26.610   0.7018 0.6220000 1.404000 
1 1 1   36    8   19 o   28.580   0.6927 4.375000 1.385000 
1 1 1   36    8   20 o   41.620   0.6023 -1.630000 1.205000 
1 1 1   36    8   21 o   26.280   0.7726 0.6402000 1.545000 
1 1 1   36    8   22 o   16.260   1.2090 -4.634000 2.419000 
1 1 1   36    8   23 o   17.510   1.4930      ?      ? 
1 1 1   36    8   24 o   19.660   1.0750 -0.1066000 2.149000 
1 1 1   36    8   25 o   19.550   1.0940 -0.7311000E-01 2.188000 
1 1 1   36    8   26 o   28.590   0.8002 0.9404000 1.600000 
1 1 1   36    8   27 o   15.690   1.3150 -1.901000 2.629000 
1 1 1   36    8   28 o   25.850   0.8351 -0.3973000E-01 1.670000 
1 1 1   36    8   29 o   7.6880   1.8210 2.585000 3.643000 
1 1 1   36    8   30 o   8.3210   1.8390 2.639000 3.677000 
1 1 1   36    8   31 o   9.7850   1.7530 3.099000 3.506000 
1 1 1   36    9    0 o   18.630   1.2360 -0.000000 0.000000 
1 1 1   36    9    1 o   49.340   0.6311 -2.511000 1.262000 
1 1 1   36    9    2 o   34.550   0.6029 0.5738000 1.206000 
1 1 1   36    9    3 o   32.560   0.6160 -1.130000 1.232000 
1 1 1   36    9    4 f   29.420   0.6400 -5.008000 1.280000 
1 1 1   36    9    5 o   14.810   1.2250 -6.242000 2.450000 
1 1 1   36    9    6 o   26.340   0.6263 0.9035000 1.253000 
1 1 1   36    9    7 o   39.880   0.5531 -0.7590000 1.106000 
1 1 1   36    9    8 o   25.000   0.6614 2.788000 1.323000 
1 1 1   36    9    9 o   38.720   0.5591 1.134000 1.118000 
1 1 1   36    9   10 o   48.960   0.5786 1.000000 1.157000 
1 1 1   36    9   11 o   14.100   1.1170 -4.365000 2.234000 
1 1 1   36    9   12 o   47.540   0.5886 -3.704000 1.177000 
1 1 1   36    9   13 o   33.610   0.5900 3.546000 1.180000 
1 1 1   36    9   14 o   18.090   0.9259 -0.2174000 1.852000 
1 1 1   36    9   15 o   33.470   0.6040 0.1067000 1.208000 
1 1 1   36    9   16 o   63.050   0.6789 0.5047000 1.358000 
1 1 1   36    9   17 f   17.740   1.1680 0.3486000E-01 2.336000 
1 1 1   36    9   18 o   24.610   0.7935 -1.237000 1.587000 
1 1 1   36    9   19 o   50.670   0.6333 2.929000 1.267000 
1 1 1   36    9   20 o   19.010   1.0390 1.103000 2.077000 
1 1 1   36    9   21 o   32.630   0.7194 -0.9563000 1.439000 
1 1 1   36    9   22 o   26.010   0.8597 -0.5764000 1.719000 
1 1 1   36    9   23 o   21.170   1.0730 3.249000 2.145000 
1 1 1   36    9   24 o   13.700   1.6730 3.101000 3.346000 
1 1 1   36    9   25 o   10.410   1.9840 -1.406000 3.969000 
1 1 1   36    9   26 o   7.1770   1.9960 -1.004000 3.993000 
1 1 1   36    9   27 o   11.160   1.8980 -0.9628000 3.796000 
1 1 1   36    9   28 o   8.8490   2.0370 -2.638000 4.074000 
1 1 1   36    9   29 o   11.970   1.7350 5.680000 3.470000 
1 1 1   36    9   30 o   11.460   1.7680 1.585000 3.536000 
1 1 1   36    9   31 o   9.7720   1.8220 1.959000 3.644000 
1 1 1   36   10    0 f   24.500   1.0740 -0.000000 0.000000 
1 1 1   36   10    1 o   20.580   0.8693 1.064000 1.739000 
1 1 1   36   10    2 o   15.050   1.2540 -6.513000 2.508000 
1 1 1   36   10    3 o   25.780   0.6877 1.117000 1.375000 
1 1 1   36   10    4 o   11.680   1.4320 3.103000 2.863000 
1 1 1   36   10    5 o   30.380   0.6130 4.002000 1.226000 
1 1 1   36   10    6 o   31.040   0.6103 -0.1096000 1.221000 
1 1 1   36   10    7 o   17.150   0.9698 -1.122000 1.940000 
1 1 1   36   10    8 o   32.760   0.6033 0.3106000 1.207000 
1 1 1   36   10    9 o   24.370   0.7188 0.2809000 1.438000 
1 1 1   36   10   10 f   19.670   0.8792 3.160000 1.758000 
1 1 1   36   10   11 o   37.090   0.5836 1.820000 1.167000 
1 1 1   36   10   12 o   46.720   0.6044 -0.1121000 1.209000 
1 1 1   36   10   13 o   24.920   0.7496 -0.3912000 1.499000 
1 1 1   36   10   14 o   26.140   0.7444 3.921000 1.489000 
1 1 1   36   10   15 o   12.000   1.6390 4.537000 3.278000 
1 1 1   36   10   16 o   12.410   1.7660 1.821000 3.532000 
1 1 1   36   10   17 o   47.960   0.6288 0.5195000 1.258000 
1 1 1   36   10   18 o   38.070   0.7458 -2.507000 1.492000 
1 1 1   36   10   19 o   10.790   1.6300 8.724000 3.261000 
1 1 1   36   10   20 o   25.080   0.8884 2.035000 1.777000 
1 1 1   36   10   21 o   40.370   0.6766 -1.616000 1.353000 
1 1 1   36   10   22 o   16.210   1.4090 0.3222000 2.819000 
1 1 1   36   10   23 o   22.770   1.1160 2.266000 2.233000 
1 1 1   36   10   24 o   16.430   1.4790 2.683000 2.957000 
1 1 1   36   10   25 o   9.1280   2.1530 -1.506000 4.305000 
1 1 1   36   10   26 o   20.590   1.1680 2.760000 2.336000 
1 1 1   36   10   27 o   8.5290   2.1030 -0.1256000 4.206000 
1 1 1   36   10   28 o   14.060   1.5780 -2.558000 3.156000 
1 1 1   36   10   29 o   11.420   1.8020 -6.709000 3.603000 
1 1 1   36   10   30 o   9.3180   1.9100 2.310000 3.820000 
1 1 1   36   11    0 o   30.830   0.8314 -0.000000 0.000000 
1 1 1   36   11    1 o   11.170   1.4310 -0.7152000 2.861000 
1 1 1   36   11    2 o   34.710   0.5594 -0.5367000 1.119000 
1 1 1   36   11    3 o   40.120   0.6017 4.299000 1.203000 
1 1 1   36   11    4 o   6.6370   1.7730 1.117000 3.545000 
1 1 1   36   11    5 o   25.190   0.7569 2.393000 1.514000 
1 1 1   36   11    6 o   17.710   1.0200 1.229000 2.041000 
1 1 1   36   11    7 o   37.230   0.6187 2.234000 1.237000 
1 1 1   36   11    8 o   33.240   0.6338 -1.646000 1.268000 
1 1 1   36   11    9 o   24.620   0.7722 4.343000 1.544000 
1 1 1   36   11   10 o   30.850   0.6621 2.449000 1.324000 
1 1 1   36   11   11 o   25.450   0.7724 0.6798000 1.545000 
1 1 1   36   11   12 o   31.600   0.6934 2.904000 1.387000 
1 1 1   36   11   13 o   25.290   0.8367 4.860000 1.673000 
1 1 1   36   11   14 o   6.8040   1.9880 1.420000 3.975000 
1 1 1   36   11   15 o   5.7990   1.7700 -2.386000 3.540000 
1 1 1   36   11   16 o   14.770   1.6010 8.576000 3.201000 
1 1 1   36   11   17 o   53.570   0.6656 0.3850000E-01 1.331000 
1 1 1   36   11   18 o   19.750   1.1570 2.972000 2.314000 
1 1 1   36   11   19 f   32.030   0.7793 -0.7314000 1.559000 
1 1 1   36   11   20 o   30.530   0.8037 -2.098000 1.607000 
1 1 1   36   11   21 o   14.790   1.6800 2.535000 3.359000 
1 1 1   36   11   22 o   6.5750   1.9990 -0.2110000 3.998000 
1 1 1   36   11   23 o   11.020   2.0560 1.960000 4.112000 
1 1 1   36   11   24 o   7.4460   2.0840 -2.705000 4.167000 
1 1 1   36   11   25 o   6.4890   1.9790 -0.3014000E-03 3.958000 
1 1 1   36   11   26 o   12.030   1.8110 8.320000 3.621000 
1 1 1   36   11   27 o   9.8890   2.1280 -0.9037000 4.257000 
1 1 1   36   11   28 o   5.9500   1.8520 0.4483000 3.704000 
1 1 1   36   11   29 o   7.1600   2.0200 -1.226000 4.041000 
1 1 1   36   11   30 o   7.6330   2.2010 -3.852000 4.403000 
1 1 1   36   12    0 o   7.1430   2.5800 -0.000000 0.000000 
1 1 1   36   12    1 o   20.230   0.8747 -0.1401000 1.749000 
1 1 1   36   12    2 f   47.310   0.5708 2.859000 1.142000 
1 1 1   36   12    3 f   8.6560   1.8100 1.157000 3.619000 
1 1 1   36   12    4 o   19.380   0.9814 6.263000 1.963000 
1 1 1   36   12    5 o   20.200   0.8943 1.904000 1.789000 
1 1 1   36   12    6 o   21.670   0.8462 -2.224000 1.692000 
1 1 1   36   12    7 o   31.610   0.6371 -1.094000 1.274000 
1 1 1   36   12    8 o   21.880   0.9772 -1.639000 1.954000 
1 1 1   36   12    9 o   5.9510   1.7940 -0.9015000 3.589000 
1 1 1   36   12   10 o   26.700   0.7798 -1.009000 1.560000 
1 1 1   36   12   11 o   36.910   0.6597 0.9267000E-01 1.319000 
1 1 1   36   12   12 o   42.630   0.6469 3.236000 1.294000 
1 1 1   36   12   13 o   24.860   0.8952 3.056000 1.790000 
1 1 1   36   12   14 o   32.730   0.7324 -4.446000 1.465000 
1 1 1   36   12   15 o   10.300   1.9630 2.622000 3.925000 
1 1 1   36   12   16 o   22.330   1.0130 1.192000 2.026000 
1 1 1   36   12   17 o   13.700   1.6980 2.277000 3.397000 
1 1 1   36   12   18 o   20.230   1.1750 -2.144000 2.350000 
1 1 1   36   12   19 o   16.040   1.5760 3.645000 3.152000 
1 1 1   36   12   20 o   11.610   2.0690 0.8759000 4.139000 
1 1 1   36   12   21 o   11.860   1.8580 2.037000 3.716000 
1 1 1   36   12   22 o   14.430   1.5600 2.766000 3.119000 
1 1 1   36   12   23 f   10.990   1.8910 4.707000 3.783000 
1 1 1   36   12   24 o   10.350   2.0040 -2.199000 4.009000 
1 1 1   36   12   25 o   7.9590   2.0350 0.9007000E-01 4.071000 
1 1 1   36   12   26 o   9.2520   2.0270 1.306000 4.053000 
1 1 1   36   12   27 o   8.9010   1.8070 -5.955000 3.613000 
1 1 1   36   12   28 f   11.890   1.9720 0.1425000 3.943000 
1 1 1   36   12   29 o   10.670   2.2450 -1.136000 4.490000 
1 1 1   36   13    0 o   21.520   1.2780 -0.000000 0.000000 
1 1 1   36   13    1 o   13.530   1.3930 -0.7898000 2.787000 
1 1 1   36   13    2 o   7.9110   1.9060 -0.3346000 3.813000 
1 1 1   36   13    3 o   16.500   1.1750 4.574000 2.349000 
1 1 1   36   13    4 o   45.240   0.5947 -2.206000 1.189000 
1 1 1   36   13    5 o   6.6910   1.8460 -1.034000 3.693000 
1 1 1   36   13    6 o   36.690   0.6335 -1.753000 1.267000 
1 1 1   36   13    7 o   31.210   0.6803 -1.596000 1.361000 
1 1 1   36   13    8 o   35.710   0.6268 -1.114000 1.254000 
1 1 1   36   13    9 o   25.480   0.7925 1.807000 1.585000 
1 1 1   36   13   10 o   32.840   0.6851 0.5798000 1.370000 
1 1 1   36   13   11 o   23.340   0.8795 1.483000 1.759000 
1 1 1   36   13   12 o   31.670   0.7072 1.476000 1.414000 
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1 1 1   36   13   14 o   7.5720   1.9320 1.484000 3.863000 
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1 1 1   37    1   12 o   60.700   0.5455 -1.107000 1.091000 
1 1 1   37    1   13 o   17.370   0.5080 0.1554000 1.016000 
1 1 1   37    1   14 o   12.120   0.7667 1.108000 1.533000 
1 1 1   37    1   15 f   26.670   0.4509 1.782000 0.9018000 
1 1 1   37    1   16 o   35.830   0.4569 -2.038000 0.9138000 
1 1 1   37    1   17 o   13.780   0.8717      ?      ? 
1 1 1   37    1   18 o   18.210   0.5827 -1.491000 1.165000 
1 1 1   37    1   19 o   53.540   0.5615 3.369000 1.123000 
1 1 1   37    1   20 o   7.1350   1.3040 -3.801000 2.607000 
1 1 1   37    1   21 o   26.870   0.4851 -0.2712000 0.9702000 
1 1 1   37    1   22 o   12.560   1.0740 3.224000 2.148000 
1 1 1   37    1   23 o   23.580   0.6291 -2.055000 1.258000 
1 1 1   37    1   24 o   11.320   1.2330 -5.186000 2.466000 
1 1 1   37    1   25 o   13.180   1.5870      ?      ? 
1 1 1   37    1   26 o   19.420   0.7015 0.4937000 1.403000 
1 1 1   37    1   27 o   35.510   0.5119 -3.219000 1.024000 
1 1 1   37    1   28 o   5.8950   1.9810 4.482000 3.961000 
1 1 1   37    1   29 o   29.350   1.4900 4.494000 2.980000 
1 1 1   37    1   30 o   10.010   2.6660 -0.5446000 5.332000 
1 1 1   37    1   31 o   7.9550   2.3350 4.062000 4.669000 
1 1 1   37    1   32 o   10.110   2.5750 2.475000 5.150000 
1 1 1   37    1   33 o   12.210   2.4470 -5.727000 4.894000 
1 1 1   37    2    0 f   13.940   0.9630 -0.000000 0.000000 
1 1 1   37    2    1 f   12.590   0.7612 -1.765000 1.522000 
1 1 1   37    2    2 o   40.930   0.5028 4.136000 1.006000 
1 1 1   37    2    3 o   47.750   0.5520 -1.113000 1.104000 
1 1 1   37    2    4 o   41.220   0.5040 -3.249000 1.008000 
1 1 1   37    2    5 o   37.250   0.4860 0.8532000 0.9720000 
1 1 1   37    2    6 o   45.590   0.5401 0.9175000 1.080000 
1 1 1   37    2    7 o   18.550   0.5639 -4.136000 1.128000 
1 1 1   37    2    8 o   61.330   0.6694 0.1614000 1.339000 
1 1 1   37    2    9 f   53.370   0.5974 1.183000 1.195000 
1 1 1   37    2   10 o   35.220   0.4816 2.528000 0.9632000 
1 1 1   37    2   11 o   77.030   0.8236 -5.336000 1.647000 
1 1 1   37    2   12 o   31.460   0.4779 -3.161000 0.9559000 
1 1 1   37    2   13 o   22.870   0.5227 -2.412000 1.045000 
1 1 1   37    2   14 o   16.880   0.6767 4.551000 1.353000 
1 1 1   37    2   15 f   20.600   0.5729 -2.969000 1.146000 
1 1 1   37    2   16 o   22.520   0.6069      ?      ? 
1 1 1   37    2   17 o   24.520   0.5043 -3.978000 1.009000 
1 1 1   37    2   18 o   30.540   0.4837 2.354000 0.9675000 
1 1 1   37    2   19 o   39.700   0.4907 2.445000 0.9813000 
1 1 1   37    2   20 o   61.870   0.6346 -0.3287000 1.269000 
1 1 1   37    2   21 o   23.370   0.5707 2.890000 1.141000 
1 1 1   37    2   22 f   24.960   0.5607 1.705000 1.121000 
1 1 1   37    2   23 o   34.000   0.5186 -0.7805000E-02 1.037000 
1 1 1   37    2   24 o   22.390   0.6110 -3.273000 1.222000 
1 1 1   37    2   25 o   38.560   0.5331 -4.871000 1.066000 
1 1 1   37    2   26 o   20.130   0.6815 0.4201000 1.363000 
1 1 1   37    2   27 o   21.980   0.6254 1.677000 1.251000 
1 1 1   37    2   28 o   9.4490   1.5140 0.9362000 3.027000 
1 1 1   37    2   29 f   44.930   0.9030 3.859000 1.806000 
1 1 1   37    2   30 o   22.740   1.1870 6.401000 2.373000 
1 1 1   37    2   31 o   9.6890   2.5120 3.073000 5.024000 
1 1 1   37    2   32 o   7.1830   2.2780 0.3788000 4.557000 
1 1 1   37    2   33 o   10.740   2.5470 -2.194000 5.094000 
1 1 1   37    3    0 o   6.9780   1.8820 -0.000000 0.000000 
1 1 1   37    3    1 o   15.180   0.6740 -3.820000 1.348000 
1 1 1   37    3    2 o   27.350   0.4790 6.578000 0.9581000 
1 1 1   37    3    3 o   79.220   0.8434 1.196000 1.687000 
1 1 1   37    3    4 o   17.660   0.6024 3.164000 1.205000 
1 1 1   37    3    5 o   59.900   0.6598 -6.923000 1.320000 
1 1 1   37    3    6 o   14.530   0.7629 4.114000 1.526000 
1 1 1   37    3    7 o   17.800   0.6102 3.265000 1.220000 
1 1 1   37    3    8 o   49.020   0.5662 1.282000 1.132000 
1 1 1   37    3    9 o   22.330   0.5309 -2.054000 1.062000 
1 1 1   37    3   10 o   54.990   0.6209 -5.797000 1.242000 
1 1 1   37    3   11 o   51.560   0.5922 0.9952000 1.184000 
1 1 1   37    3   12 o   27.520   0.4955 -5.902000 0.9910000 
1 1 1   37    3   13 o   26.220   0.5173 -0.6090000 1.035000 
1 1 1   37    3   14 o   25.770   0.5346 -1.289000 1.069000 
1 1 1   37    3   15 o   61.100   0.6789 -1.221000 1.358000 
1 1 1   37    3   16 o   17.010   0.7056 2.229000 1.411000 
1 1 1   37    3   17 o   56.600   0.6458 0.5042000 1.292000 
1 1 1   37    3   18 o   56.940   0.6508 -3.040000 1.302000 
1 1 1   37    3   19 o   41.690   0.5614 -0.9697000 1.123000 
1 1 1   37    3   20 o   21.240   0.6688 0.2666000 1.338000 
1 1 1   37    3   21 o   27.710   0.5962 1.101000 1.192000 
1 1 1   37    3   22 o   20.860   0.7612 5.020000 1.522000 
1 1 1   37    3   23 o   25.510   0.5812 0.7876000 1.162000 
1 1 1   37    3   24 o   28.180   0.5895 1.781000 1.179000 
1 1 1   37    3   25 o   30.540   0.5599 3.183000 1.120000 
1 1 1   37    3   26 o   21.430   0.7342 2.882000 1.468000 
1 1 1   37    3   27 o   20.240   0.7502 -0.4013000 1.500000 
1 1 1   37    3   28 o   49.080   0.6998 0.4047000 1.400000 
1 1 1   37    3   29 o   13.070   1.4290 2.447000 2.858000 
1 1 1   37    3   30 o   27.960   0.6713 -2.730000 1.343000 
1 1 1   37    3   31 o   8.1070   1.6450 2.120000 3.290000 
1 1 1   37    3   32 o   21.890   0.7088 -2.396000 1.418000 
1 1 1   37    3   33 o   8.2950   2.0170 -7.171000 4.035000 
1 1 1   37    4    0 o   38.630   0.7235 -0.000000 0.000000 
1 1 1   37    4    1 o   47.240   0.5619 -5.499000 1.124000 
1 1 1   37    4    2 o   76.570   0.8202 4.480000 1.640000 
1 1 1   37    4    3 o   10.330   1.0620 -2.905000 2.125000 
1 1 1   37    4    4 o   50.430   0.5823 2.726000 1.165000 
1 1 1   37    4    5 o   28.290   0.4994 5.299000 0.9987000 
1 1 1   37    4    6 o   58.490   0.6496 -3.547000 1.299000 
1 1 1   37    4    7 o   81.890   0.8721 -2.226000 1.744000 
1 1 1   37    4    8 o   18.260   0.6392 2.565000 1.278000 
1 1 1   37    4    9 o   26.010   0.5308 -2.793000 1.062000 
1 1 1   37    4   10 o   46.060   0.5611 -2.431000 1.122000 
1 1 1   37    4   11 o   20.240   0.6175 0.7903000E-01 1.235000 
1 1 1   37    4   12 o   65.540   0.7187 -0.6125000 1.437000 
1 1 1   37    4   13 o   6.3530   1.2970 -5.554000 2.594000 
1 1 1   37    4   14 o   5.6170   1.5100 0.2001000E-01 3.020000 
1 1 1   37    4   15 o   35.600   0.5241 -9.000000 1.048000 
1 1 1   37    4   16 o   45.640   0.5688 4.821000 1.138000 
1 1 1   37    4   17 o   56.630   0.6500 -1.811000 1.300000 
1 1 1   37    4   18 f   18.860   0.7463 2.787000 1.493000 
1 1 1   37    4   19 o   40.330   0.5685 -3.577000 1.137000 
1 1 1   37    4   20 o   19.480   1.1830      ?      ? 
1 1 1   37    4   21 o   16.140   0.8900 -0.4787000 1.780000 
1 1 1   37    4   22 o   21.480   0.7021 -2.334000 1.404000 
1 1 1   37    4   23 o   20.720   0.7631 1.812000 1.526000 
1 1 1   37    4   24 o   7.8580   1.8850 1.141000 3.771000 
1 1 1   37    4   25 o   41.010   0.5789 -1.248000 1.158000 
1 1 1   37    4   26 o   25.440   0.6984 -0.2788000 1.397000 
1 1 1   37    4   27 o   15.620   1.2580 3.909000 2.517000 
1 1 1   37    4   28 o   14.530   1.0790 -4.727000 2.159000 
1 1 1   37    4   29 o   23.840   0.7672 2.988000 1.534000 
1 1 1   37    4   30 o   26.660   0.6702 2.137000 1.340000 
1 1 1   37    4   31 o   9.1850   1.8130 -2.023000 3.626000 
1 1 1   37    4   32 f   6.7000   1.5830 4.641000 3.165000 
1 1 1   37    4   33 o   15.210   1.1980 1.710000 2.395000 
1 1 1   37    5    0 o   34.750   0.7297 -0.000000 0.000000 
1 1 1   37    5    1 o   54.510   0.6287 -5.225000 1.257000 
1 1 1   37    5    2 o   17.040   0.7342 5.433000 1.468000 
1 1 1   37    5    3 o   44.500   0.5467 1.434000 1.093000 
1 1 1   37    5    4 o   49.850   0.5875 2.540000 1.175000 
1 1 1   37    5    5 o   8.8610   1.3020 -3.672000 2.603000 
1 1 1   37    5    6 o   43.470   0.5423 0.4464000 1.085000 
1 1 1   37    5    7 o   31.450   0.4997 1.798000 0.9995000 
1 1 1   37    5    8 o   27.280   0.5301 1.995000 1.060000 
1 1 1   37    5    9 o   15.400   0.8153 -3.175000 1.631000 
1 1 1   37    5   10 o   11.640   1.4700      ?      ? 
1 1 1   37    5   11 o   15.030   0.8425 -0.5762000E-01 1.685000 
1 1 1   37    5   12 o   5.3500   1.4970 -1.216000 2.995000 
1 1 1   37    5   13 o   24.500   0.6014 1.992000 1.203000 
1 1 1   37    5   14 o   12.400   1.0750 0.8942000 2.151000 
1 1 1   37    5   15 o   28.030   0.5847 5.492000 1.169000 
1 1 1   37    5   16 o   12.950   1.0940 -0.5995000E-01 2.188000 
1 1 1   37    5   17 o   9.4540   1.3850 6.849000 2.769000 
1 1 1   37    5   18 o   15.610   0.8670 0.7434000 1.734000 
1 1 1   37    5   19 o   27.260   0.5831 -0.9245000 1.166000 
1 1 1   37    5   20 o   36.900   0.5427 0.9101000 1.085000 
1 1 1   37    5   21 o   21.380   0.7346 2.160000 1.469000 
1 1 1   37    5   22 o   8.9220   1.8540 1.116000 3.708000 
1 1 1   37    5   23 o   15.010   1.0940 1.442000 2.187000 
1 1 1   37    5   24 o   35.160   0.5947 -4.059000 1.189000 
1 1 1   37    5   25 o   12.420   1.6660 5.037000 3.332000 
1 1 1   37    5   26 o   8.4970   1.7920 1.365000 3.583000 
1 1 1   37    5   27 f   12.440   1.5920 4.886000 3.184000 
1 1 1   37    5   28 o   24.990   0.8234 2.619000 1.647000 
1 1 1   37    5   29 o   13.830   1.4860 4.061000 2.973000 
1 1 1   37    5   30 o   13.470   1.3060 -5.797000 2.613000 
1 1 1   37    5   31 o   14.310   1.1360 -2.643000 2.272000 
1 1 1   37    5   32 o   20.450   0.7938 -0.3827000 1.588000 
1 1 1   37    5   33 o   4.0910   1.3280 -0.7808000E-01 2.656000 
1 1 1   37    6    0 o   29.820   0.7658 -0.000000 0.000000 
1 1 1   37    6    1 o   30.250   0.5414 -5.314000 1.083000 
1 1 1   37    6    2 o   52.140   0.6151 -7.860000 1.230000 
1 1 1   37    6    3 o   28.870   0.5488 2.663000 1.098000 
1 1 1   37    6    4 o   29.980   0.5403 -3.862000 1.081000 
1 1 1   37    6    5 o   30.490   0.5423 3.242000 1.085000 
1 1 1   37    6    6 o   26.450   0.5814 -0.1878000 1.163000 
1 1 1   37    6    7 o   30.320   0.5463 1.716000 1.093000 
1 1 1   37    6    8 o   38.400   0.5422 -0.1832000 1.084000 
1 1 1   37    6    9 o   17.170   0.7889 2.778000 1.578000 
1 1 1   37    6   10 o   18.440   0.7707 -2.747000 1.541000 
1 1 1   37    6   11 o   11.690   1.2340 -2.813000 2.469000 
1 1 1   37    6   12 o   44.050   0.5731 0.4006000 1.146000 
1 1 1   37    6   13 o   7.0370   1.6290 1.732000 3.257000 
1 1 1   37    6   14 o   21.920   0.6982 2.773000 1.396000 
1 1 1   37    6   15 o   23.200   0.6779 -1.153000 1.356000 
1 1 1   37    6   16 o   16.890   0.8302 1.659000 1.660000 
1 1 1   37    6   17 o   36.480   0.5405 -0.1578000 1.081000 
1 1 1   37    6   18 o   39.610   0.5407 -2.441000 1.081000 
1 1 1   37    6   19 o   21.620   0.7253 -2.237000 1.451000 
1 1 1   37    6   20 o   26.370   0.6579 -0.6329000 1.316000 
1 1 1   37    6   21 o   15.730   1.2450 -1.176000 2.490000 
1 1 1   37    6   22 f   20.980   0.8114 -3.832000 1.623000 
1 1 1   37    6   23 o   23.240   0.7659 -2.559000 1.532000 
1 1 1   37    6   24 o   30.400   0.7620 2.582000 1.524000 
1 1 1   37    6   25 o   10.570   1.5860 7.640000 3.173000 
1 1 1   37    6   26 o   7.2530   1.9840 -1.859000 3.968000 
1 1 1   37    6   27 f   13.550   1.6000 -2.237000 3.199000 
1 1 1   37    6   28 o   17.420   1.1650 2.866000 2.330000 
1 1 1   37    6   29 o   10.640   1.7530 2.791000 3.505000 
1 1 1   37    6   30 f   8.4740   1.8180 1.390000 3.636000 
1 1 1   37    6   31 o   12.950   1.3790 -5.231000 2.759000 
1 1 1   37    6   32 o   9.8170   1.6520 -1.047000 3.304000 
1 1 1   37    7    0 o   18.610   1.0790 -0.000000 0.000000 
1 1 1   37    7    1 o   39.250   0.5564 1.807000 1.113000 
1 1 1   37    7    2 o   10.500   1.2990 3.720000 2.598000 
1 1 1   37    7    3 o   13.680   1.0530 -3.262000 2.105000 
1 1 1   37    7    4 f   14.420   1.0870 7.625000 2.173000 
1 1 1   37    7    5 o   35.370   0.5540 1.583000 1.108000 
1 1 1   37    7    6 o   26.130   0.6024 -0.3900000 1.205000 
1 1 1   37    7    7 o   20.690   0.6991 -3.038000 1.398000 
1 1 1   37    7    8 o   23.350   0.6446 -2.755000 1.289000 
1 1 1   37    7    9 o   43.730   0.5762 -1.696000 1.152000 
1 1 1   37    7   10 o   7.9700   1.6440 1.376000 3.289000 
1 1 1   37    7   11 o   29.580   0.6084 -2.479000 1.217000 
1 1 1   37    7   12 f   33.510   0.5821 1.741000 1.164000 
1 1 1   37    7   13 o   13.970   1.0080 1.737000 2.016000 
1 1 1   37    7   14 o   42.450   0.5380 1.271000 1.076000 
1 1 1   37    7   15 o   30.240   0.5668 -3.210000 1.134000 
1 1 1   37    7   16 o   40.060   0.5540 -4.555000 1.108000 
1 1 1   37    7   17 o   21.550   0.7354 2.188000 1.471000 
1 1 1   37    7   18 o   20.440   0.9309 -1.643000 1.862000 
1 1 1   37    7   19 o   44.820   0.5768 -1.232000 1.154000 
1 1 1   37    7   20 o   40.780   0.5865 0.5236000 1.173000 
1 1 1   37    7   21 o   30.520   0.7539 4.761000 1.508000 
1 1 1   37    7   22 o   20.380   0.9259 1.984000 1.852000 
1 1 1   37    7   23 o   16.490   1.1890 3.149000 2.377000 
1 1 1   37    7   24 o   13.160   1.7350 -5.780000 3.470000 
1 1 1   37    7   25 o   8.7640   1.9020 -3.395000 3.805000 
1 1 1   37    7   26 o   28.930   0.7655 -0.1407000 1.531000 
1 1 1   37    7   27 o   13.830   1.5480 1.545000 3.096000 
1 1 1   37    7   28 o   30.180   0.7342 -0.8396000E-01 1.468000 
1 1 1   37    7   29 o   10.120   1.7590 4.476000 3.518000 
1 1 1   37    7   30 o   26.640   0.7880 -0.5518000 1.576000 
1 1 1   37    7   31 o   11.120   1.7040 3.298000 3.407000 
1 1 1   37    7   32 o   7.9730   1.5810 4.670000 3.163000 
1 1 1   37    8    0 o   4.8320   2.1380 -0.000000 0.000000 
1 1 1   37    8    1 o   7.6770   1.5890 3.857000 3.177000 
1 1 1   37    8    2 o   59.470   0.6881 4.172000 1.376000 
1 1 1   37    8    3 o   41.920   0.5867 1.984000 1.173000 
1 1 1   37    8    4 o   31.720   0.5901 1.376000 1.180000 
1 1 1   37    8    5 o   46.250   0.6011 0.5443000 1.202000 
1 1 1   37    8    6 o   35.690   0.5758 -1.934000 1.152000 
1 1 1   37    8    7 o   31.950   0.5916 0.3848000 1.183000 
1 1 1   37    8    8 o   24.070   0.6829 1.028000 1.366000 
1 1 1   37    8    9 o   8.5880   1.6810 1.812000 3.362000 
1 1 1   37    8   10 o   26.680   0.5923 -2.301000 1.185000 
1 1 1   37    8   11 o   38.660   0.5395 -5.012000 1.079000 
1 1 1   37    8   12 o   26.900   0.6189 -2.648000 1.238000 
1 1 1   37    8   13 o   22.990   0.6903 -1.969000 1.381000 
1 1 1   37    8   14 o   22.800   0.7105 -1.540000 1.421000 
1 1 1   37    8   15 o   14.370   1.1650 3.711000 2.330000 
1 1 1   37    8   16 o   17.260   0.9668 3.858000 1.934000 
1 1 1   37    8   17 o   63.790   0.6781 0.7932000 1.356000 
1 1 1   37    8   18 o   28.490   0.6672 3.434000 1.334000 
1 1 1   37    8   19 o   48.270   0.6093 -0.5186000 1.219000 
1 1 1   37    8   20 o   34.980   0.6335 3.761000 1.267000 
1 1 1   37    8   21 o   21.800   0.8872 0.7713000 1.774000 
1 1 1   37    8   22 o   7.5720   1.9370 0.7490000 3.873000 
1 1 1   37    8   23 o   22.340   0.9358 -1.937000 1.872000 
1 1 1   37    8   24 o   7.7350   1.8450 3.282000 3.689000 
1 1 1   37    8   25 o   26.640   0.9376 1.494000 1.875000 
1 1 1   37    8   26 o   16.860   1.2840 0.3158000 2.568000 
1 1 1   37    8   27 o   11.960   2.0220      ?      ? 
1 1 1   37    8   28 o   7.3280   1.6250 5.314000 3.250000 
1 1 1   37    8   29 o   9.5680   1.9260 1.026000 3.852000 
1 1 1   37    8   30 o   7.5770   1.9760 -1.622000 3.952000 
1 1 1   37    8   31 o   7.5000   1.8330 -4.901000 3.667000 
1 1 1   37    9    0 o   16.480   1.4110 -0.000000 0.000000 
1 1 1   37    9    1 o   29.530   0.6454 -3.425000 1.291000 
1 1 1   37    9    2 o   23.530   0.7484 1.243000 1.497000 
1 1 1   37    9    3 o   6.2850   1.6440 -3.489000 3.288000 
1 1 1   37    9    4 o   57.570   0.6901 2.930000 1.380000 
1 1 1   37    9    5 o   34.300   0.6209 2.161000 1.242000 
1 1 1   37    9    6 o   10.250   1.5970 1.415000 3.194000 
1 1 1   37    9    7 o   37.280   0.5616 3.933000 1.123000 
1 1 1   37    9    8 o   18.890   0.8572 3.246000 1.714000 
1 1 1   37    9    9 o   35.360   0.5673 1.416000 1.135000 
1 1 1   37    9   10 o   41.170   0.5651 -1.118000 1.130000 
1 1 1   37    9   11 o   16.410   0.9660 -1.154000 1.932000 
1 1 1   37    9   12 o   67.740   0.7056 -0.6336000 1.411000 
1 1 1   37    9   13 o   39.170   0.5809 -3.013000 1.162000 
1 1 1   37    9   14 o   38.870   0.5809 -0.2369000 1.162000 
1 1 1   37    9   15 o   20.880   0.8477 -1.952000 1.695000 
1 1 1   37    9   16 f   46.410   0.6023 3.916000 1.205000 
1 1 1   37    9   17 o   41.190   0.6134 -3.496000 1.227000 
1 1 1   37    9   18 o   35.040   0.6490 3.128000 1.298000 
1 1 1   37    9   19 o   33.070   0.7069 1.729000 1.414000 
1 1 1   37    9   20 o   28.490   0.8766 3.317000 1.753000 
1 1 1   37    9   21 o   15.160   1.4160 2.048000 2.831000 
1 1 1   37    9   22 o   28.420   0.8123 0.8634000 1.625000 
1 1 1   37    9   23 o   23.160   1.1140 -2.440000 2.228000 
1 1 1   37    9   24 o   25.780   0.8732 -1.625000 1.746000 
1 1 1   37    9   25 o   8.0190   2.0530 -1.752000 4.106000 
1 1 1   37    9   26 o   15.150   1.4530 -2.424000 2.906000 
1 1 1   37    9   27 o   20.330   1.0700 -1.378000 2.140000 
1 1 1   37    9   28 o   9.4190   2.0200 -2.512000 4.039000 
1 1 1   37    9   29 f   12.910   1.6340 -0.6974000 3.268000 
1 1 1   37    9   30 o   10.690   1.8560 0.1541000 3.712000 
1 1 1   37    9   31 o   6.8730   1.8430 1.154000 3.685000 
1 1 1   37   10    0 o   6.4910   2.5220 -0.000000 0.000000 
1 1 1   37   10    1 o   50.830   0.6587 -0.7672000 1.317000 
1 1 1   37   10    2 o   29.410   0.6871 5.656000 1.374000 
1 1 1   37   10    3 o   18.200   0.9751 0.2421000 1.950000 
1 1 1   37   10    4 o   27.720   0.6703 4.255000 1.341000 
1 1 1   37   10    5 o   51.600   0.6062 1.434000 1.212000 
1 1 1   37   10    6 o   5.5860   1.6640 -0.9853000 3.327000 
1 1 1   37   10    7 o   34.390   0.6111 3.571000 1.222000 
1 1 1   37   10    8 o   44.180   0.5910 -2.940000 1.182000 
1 1 1   37   10    9 o   20.430   0.8387 2.070000 1.677000 
1 1 1   37   10   10 o   18.460   0.9197 -4.202000 1.839000 
1 1 1   37   10   11 o   33.600   0.7019 1.726000 1.404000 
1 1 1   37   10   12 o   27.290   0.7002 0.4035000 1.400000 
1 1 1   37   10   13 o   11.980   1.5440 1.607000 3.088000 
1 1 1   37   10   14 f   48.220   0.6206 -1.067000 1.241000 
1 1 1   37   10   15 f   36.250   0.7267 2.260000 1.453000 
1 1 1   37   10   16 o   66.360   0.7157 2.111000 1.431000 
1 1 1   37   10   17 o   10.470   1.7430 5.136000 3.486000 
1 1 1   37   10   18 o   41.990   0.6493 -1.252000 1.299000 
1 1 1   37   10   19 o   14.400   1.5190 2.903000 3.039000 
1 1 1   37   10   20 f   12.590   1.7460 5.045000 3.493000 
1 1 1   37   10   21 o   21.890   1.0790 5.215000 2.157000 
1 1 1   37   10   22 o   11.290   1.9650 2.030000 3.930000 
1 1 1   37   10   23 o   14.060   1.6990 1.669000 3.399000 
1 1 1   37   10   24 o   8.1630   1.9120 -6.557000 3.824000 
1 1 1   37   10   25 o   6.8300   2.0080 -1.622000 4.017000 
1 1 1   37   10   26 o   9.1300   2.1010 -2.917000 4.203000 
1 1 1   37   10   27 o   16.070   1.4320 -0.1415000 2.865000 
1 1 1   37   10   28 o   9.4970   1.9770 2.323000 3.955000 
1 1 1   37   10   29 o   6.4690   1.8090 2.431000 3.618000 
1 1 1   37   10   30 f   14.990   1.4540 2.048000 2.908000 
1 1 1   37   11    0 o   36.740   0.7961 -0.000000 0.000000 
1 1 1   37   11    1 o   34.250   0.5623 1.384000 1.125000 
1 1 1   37   11    2 o   29.930   0.6755 0.2807000 1.351000 
1 1 1   37   11    3 o   19.840   0.8993 -4.225000 1.799000 
1 1 1   37   11    4 o   40.340   0.6033 2.583000 1.207000 
1 1 1   37   11    5 o   24.810   0.7589 -2.510000 1.518000 
1 1 1   37   11    6 f   25.580   0.7450 -0.8175000 1.490000 
1 1 1   37   11    7 o   17.320   1.0630 1.218000 2.127000 
1 1 1   37   11    8 f   19.750   0.9387 -3.816000 1.877000 
1 1 1   37   11    9 o   49.990   0.6218 3.146000 1.244000 
1 1 1   37   11   10 o   22.860   0.9427 0.8407000 1.885000 
1 1 1   37   11   11 o   39.010   0.6330 5.402000 1.266000 
1 1 1   37   11   12 o   55.380   0.6564 -2.526000 1.313000 
1 1 1   37   11   13 o   41.750   0.6995 -3.376000 1.399000 
1 1 1   37   11   14 o   60.240   0.6903 -1.147000 1.381000 
1 1 1   37   11   15 o   24.310   1.0150 -4.022000 2.030000 
1 1 1   37   11   16 o   30.350   0.7709 1.376000 1.542000 
1 1 1   37   11   17 o   23.340   0.9417 1.336000 1.883000 
1 1 1   37   11   18 o   20.530   1.1150 2.046000 2.231000 
1 1 1   37   11   19 f   16.090   1.4220 1.581000 2.845000 
1 1 1   37   11   20 o   19.330   1.2210 -3.972000 2.442000 
1 1 1   37   11   21 o   17.580   1.3590 -2.798000 2.717000 
1 1 1   37   11   22 o   24.290   1.0430 -6.781000 2.085000 
1 1 1   37   11   23 o   8.7250   2.0810 3.154000 4.162000 
1 1 1   37   11   24 f   8.7620   2.1060 -4.012000 4.213000 
1 1 1   37   11   25 o   5.5790   1.8130 0.3561000 3.625000 
1 1 1   37   11   26 o   8.7670   2.0360 3.336000 4.071000 
1 1 1   37   11   27 o   5.7910   1.8570 -1.920000 3.713000 
1 1 1   37   11   28 o   7.3610   2.0490 -1.922000 4.099000 
1 1 1   37   11   29 o   13.740   1.6460 -3.901000 3.293000 
1 1 1   37   12    0 o   6.7600   2.5460 -0.000000 0.000000 
1 1 1   37   12    1 o   32.570   0.6206 -1.370000 1.241000 
1 1 1   37   12    2 o   46.040   0.5691 0.4757000 1.138000 
1 1 1   37   12    3 o   38.360   0.5920 1.210000 1.184000 
1 1 1   37   12    4 o   40.980   0.5783 -0.3286000 1.157000 
1 1 1   37   12    5 o   9.0820   1.7670 -3.464000 3.535000 
1 1 1   37   12    6 o   24.770   0.7682 0.1137000 1.536000 
1 1 1   37   12    7 o   18.580   1.0940 3.383000 2.188000 
1 1 1   37   12    8 o   57.420   0.6700 -0.1082000 1.340000 
1 1 1   37   12    9 o   19.430   1.0130 -2.891000 2.026000 
1 1 1   37   12   10 f   31.720   0.7073 -5.478000 1.415000 
1 1 1   37   12   11 o   42.970   0.6373 -0.8228000 1.275000 
1 1 1   37   12   12 o   31.030   0.7466 1.436000 1.493000 
1 1 1   37   12   13 f   31.580   0.7542 1.187000 1.508000 
1 1 1   37   12   14 o   21.130   1.2390 -1.084000 2.478000 
1 1 1   37   12   15 o   25.660   0.9007 3.320000 1.801000 
1 1 1   37   12   16 o   18.130   1.2470 -4.288000 2.495000 
1 1 1   37   12   17 o   25.650   0.9373 3.208000 1.875000 
1 1 1   37   12   18 o   20.630   1.2600 6.596000 2.520000 
1 1 1   37   12   19 o   23.740   1.0510 -1.915000 2.102000 
1 1 1   37   12   20 o   16.060   1.6000 -4.986000 3.201000 
1 1 1   37   12   21 o   13.990   1.8230 -4.178000 3.647000 
1 1 1   37   12   22 f   17.590   1.5410 4.317000 3.081000 
1 1 1   37   12   23 o   9.2160   2.2090 -1.497000 4.418000 
1 1 1   37   12   24 o   8.7140   2.0580 4.089000 4.116000 
1 1 1   37   12   25 o   17.320   1.5220 2.728000 3.044000 
1 1 1   37   12   26 o   10.100   2.1920 -0.7583000 4.385000 
1 1 1   37   12   27 o   7.7480   1.9260 4.370000 3.851000 
1 1 1   37   12   28 o   15.220   1.5430 -1.638000 3.085000 
1 1 1   37   12   29 o   8.2050   1.9440 4.322000 3.888000 
1 1 1   37   13    0 o   4.5610   2.1490 -0.000000 0.000000 
1 1 1   37   13    1 o   6.6920   1.8700 -0.2243000 3.740000 
1 1 1   37   13    2 o   14.080   1.3730 2.178000 2.746000 
1 1 1   37   13    3 f   33.980   0.6401 -4.499000 1.280000 
1 1 1   37   13    4 o   35.030   0.6390 0.5640000 1.278000 
1 1 1   37   13    5 o   31.150   0.6669 -1.433000 1.334000 
1 1 1   37   13    6 o   5.9170   1.7910 -0.3198000 3.583000 
1 1 1   37   13    7 o   41.320   0.6019 0.2242000 1.204000 
1 1 1   37   13    8 f   45.490   0.5994 3.009000 1.199000 
1 1 1   37   13    9 o   34.820   0.6474 0.5215000 1.295000 
1 1 1   37   13   10 o   17.470   1.1540 -1.265000 2.307000 
1 1 1   37   13   11 o   29.850   0.7215 -1.270000 1.443000 
1 1 1   37   13   12 o   36.340   0.6531 1.340000 1.306000 
1 1 1   37   13   13 o   16.040   1.3070 0.6635000E-01 2.614000 
1 1 1   37   13   14 o   18.560   1.1390 -1.432000 2.277000 
1 1 1   37   13   15 o   12.230   1.7870 2.239000 3.575000 
1 1 1   37   13   16 o   12.480   1.6170 11.63000 3.233000 
1 1 1   37   13   17 o   22.050   1.0100 3.138000 2.019000 
1 1 1   37   13   18 o   31.270   0.7808 -1.514000 1.562000 
1 1 1   37   13   19 o   10.310   2.0250 4.448000 4.051000 
1 1 1   37   13   20 f   9.8140   2.1000 1.862000 4.200000 
1 1 1   37   13   21 o   27.190   0.8823 1.468000 1.765000 
1 1 1   37   13   22 o   12.030   2.2020 0.9717000 4.404000 
1 1 1   37   13   23 o   12.840   1.8180 -8.195000 3.636000 
1 1 1   37   13   24 o   6.0680   1.8900 -0.9165000 3.781000 
1 1 1   37   13   25 o   7.5760   2.0030 2.868000 4.005000 
1 1 1   37   13   26 f   6.5940   1.9080 2.130000 3.817000 
1 1 1   37   13   27 o   14.950   1.5260 6.783000 3.053000 
1 1 1   37   13   28 o   6.8040   1.8490 4.010000 3.698000 
1 1 1   37   14    0 o   10.870   2.6380 -0.000000 0.000000 
1 1 1   37   14    1 o   24.760   0.8531 -3.190000 1.706000 
1 1 1   37   14    2 o   6.6720   1.9070 -0.2025000 3.815000 
1 1 1   37   14    3 o   24.130   0.8715 0.6829000 1.743000 
1 1 1   37   14    4 o   19.590   1.0480 2.372000 2.095000 
1 1 1   37   14    5 o   30.730   0.7304 1.258000 1.461000 
1 1 1   37   14    6 o   47.680   0.6215 2.510000 1.243000 
1 1 1   37   14    7 o   24.720   0.8727 -2.603000 1.745000 
1 1 1   37   14    8 o   13.610   1.5860 -0.8438000 3.172000 
1 1 1   37   14    9 o   37.740   0.6646 -2.533000 1.329000 
1 1 1   37   14   10 o   5.8080   1.8230 1.480000 3.646000 
1 1 1   37   14   11 o   36.410   0.6496 -0.5901000 1.299000 
1 1 1   37   14   12 o   43.390   0.6042 0.1817000 1.208000 
1 1 1   37   14   13 o   26.590   0.8246 0.3418000 1.649000 
1 1 1   37   14   14 o   27.620   0.8234 -0.7315000 1.647000 
1 1 1   37   14   15 o   13.710   1.6010 2.648000 3.202000 
1 1 1   37   14   16 o   22.230   0.9996 5.337000 1.999000 
1 1 1   37   14   17 o   42.270   0.6477 -0.3430000 1.295000 
1 1 1   37   14   18 o   7.0080   2.0180 2.874000 4.036000 
1 1 1   37   14   19 o   13.870   1.7160 4.911000 3.433000 
1 1 1   37   14   20 o   11.050   2.0070 2.118000 4.014000 
1 1 1   37   14   21 o   7.1850   2.0060 3.188000 4.011000 
1 1 1   37   14   22 o   7.7220   2.0130 -2.089000 4.026000 
1 1 1   37   14   23 o   7.8900   2.0830 0.2606000 4.166000 
1 1 1   37   14   24 o   9.1530   1.9710 4.938000 3.943000 
1 1 1   37   14   25 o   12.150   1.7940 1.422000 3.589000 
1 1 1   37   14   26 o   8.7170   1.9970 0.5021000 3.993000 
1 1 1   37   14   27 o   7.2440   1.8910 4.036000 3.782000 
1 1 1   37   15    0 o   14.540   2.1290 -0.000000 0.000000 
1 1 1   37   15    1 o   7.9750   1.8820 -4.920000 3.765000 
1 1 1   37   15    2 o   19.760   1.1110 1.067000 2.222000 
1 1 1   37   15    3 o   34.550   0.7091 -0.6575000 1.418000 
1 1 1   37   15    4 o   43.420   0.6488 1.250000 1.298000 
1 1 1   37   15    5 o   7.1050   2.0210 0.3818000 4.042000 
1 1 1   37   15    6 o   10.780   1.9770 1.237000 3.954000 
1 1 1   37   15    7 o   18.530   1.1170 0.8402000 2.233000 
1 1 1   37   15    8 f   23.110   0.9317 1.575000 1.863000 
1 1 1   37   15    9 o   9.8520   1.9200 -2.457000 3.841000 
1 1 1   37   15   10 o   39.200   0.6516 -0.8113000 1.303000 
1 1 1   37   15   11 o   45.860   0.6207 0.4743000 1.241000 
1 1 1   37   15   12 o   7.6570   2.0000 3.786000 3.999000 
1 1 1   37   15   13 o   17.920   1.2550 0.4505000 2.511000 
1 1 1   37   15   14 o   9.1890   2.1220 1.142000 4.243000 
1 1 1   37   15   15 o   20.660   1.1430 0.3953000 2.285000 
1 1 1   37   15   16 o   22.360   1.0460 -1.415000 2.093000 
1 1 1   37   15   17 o   11.470   1.9920 -1.871000 3.983000 
1 1 1   37   15   18 o   7.9110   2.0960 2.457000 4.191000 
1 1 1   37   15   19 o   7.0680   2.1080 -0.6254000 4.217000 
1 1 1   37   15   20 o   13.350   1.8290 -2.945000 3.658000 
1 1 1   37   15   21 o   8.0620   2.1180 1.326000 4.235000 
1 1 1   37   15   22 o   10.340   2.1070 2.232000 4.213000 
1 1 1   37   15   23 o   9.4750   2.1030 -0.6933000 4.206000 
1 1 1   37   15   24 o   10.780   1.9710 0.2243000 3.941000 
1 1 1   37   15   25 o   6.9680   1.9710 -0.7698000 3.941000 
1 1 1   37   15   26 o   7.3190   2.1550 2.879000 4.310000 
1 1 1   37   16    0 o   8.3370   3.0690 -0.000000 0.000000 
1 1 1   37   16    1 o   24.560   1.0090 1.376000 2.017000 
1 1 1   37   16    2 o   9.5330   2.1270 2.590000 4.254000 
1 1 1   37   16    3 o   10.780   2.0950 2.059000 4.190000 
1 1 1   37   16    4 o   11.410   1.9330 -0.3146000E-01 3.866000 
1 1 1   37   16    5 o   5.4800   1.7630 1.797000 3.526000 
1 1 1   37   16    6 o   14.880   1.6040 -3.629000 3.208000 
1 1 1   37   16    7 o   18.770   1.2200 -0.7135000 2.439000 
1 1 1   37   16    8 o   12.220   1.8110 -5.626000 3.623000 
1 1 1   37   16    9 o   18.080   1.3290 -5.235000 2.657000 
1 1 1   37   16   10 o   18.430   1.2520 -0.1845000 2.505000 
1 1 1   37   16   11 o   15.200   1.6060 -1.657000 3.212000 
1 1 1   37   16   12 o   27.530   0.8888 -1.343000 1.778000 
1 1 1   37   16   13 o   12.540   1.9210 2.851000 3.842000 
1 1 1   37   16   14 o   8.2640   2.1510 0.3434000 4.301000 
1 1 1   37   16   15 o   11.160   1.9430 -5.542000 3.886000 
1 1 1   37   16   16 o   6.4470   1.9740 2.323000 3.948000 
1 1 1   37   16   17 o   10.470   2.1150 2.983000 4.231000 
1 1 1   37   16   18 o   5.0340   1.6950 0.6619000 3.390000 
1 1 1   37   16   19 o   8.7290   2.1320 3.299000 4.264000 
1 1 1   37   16   20 o   10.340   2.0610 4.061000 4.122000 
1 1 1   37   16   21 o   6.7630   1.8810 5.599000 3.763000 
1 1 1   37   16   22 o   12.450   1.9050 0.1083000 3.811000 
1 1 1   37   16   23 o   8.8350   2.0370 -2.794000 4.074000 
1 1 1   37   16   24 o   5.0600   1.6800 0.5008000 3.361000 
1 1 1   37   17    0 o   12.080   2.8980 -0.000000 0.000000 
1 1 1   37   17    1 o   8.2130   2.1760 -1.782000 4.352000 
1 1 1   37   17    2 o   14.690   1.6140 0.4449000 3.227000 
1 1 1   37   17    3 o   13.490   1.8250 -6.361000 3.651000 
1 1 1   37   17    4 o   11.030   1.9310 -5.305000 3.861000 
1 1 1   37   17    5 o   7.3250   2.0870 0.9922000 4.174000 
1 1 1   37   17    6 o   12.480   1.8860 4.411000 3.772000 
1 1 1   37   17    7 o   11.140   1.9560 6.781000 3.911000 
1 1 1   37   17    8 o   9.7470   2.1770 1.223000 4.355000 
1 1 1   37   17    9 o   14.790   1.7710 -5.078000 3.541000 
1 1 1   37   17   10 o   10.620   2.1440 1.077000 4.288000 
1 1 1   37   17   11 o   8.5750   2.0360 -4.588000 4.071000 
1 1 1   37   17   12 o   9.6880   1.9130 7.984000 3.826000 
1 1 1   37   17   13 o   11.280   2.0180 5.995000 4.035000 
1 1 1   37   17   14 o   11.410   2.0960 -0.8964000 4.193000 
1 1 1   37   17   15 o   13.270   1.9460 -1.760000 3.891000 
1 1 1   37   17   16 f   29.650   0.8788 0.4958000E-01 1.758000 
1 1 1   37   17   17 o   6.1620   1.9120 -1.026000 3.824000 
1 1 1   37   17   18 o   7.8110   2.0730 3.951000 4.147000 
1 1 1   37   17   19 o   6.6630   1.9040 -2.776000 3.809000 
1 1 1   37   17   20 o   8.2260   2.0770 4.185000 4.153000 
1 1 1   37   17   21 o   7.1750   2.0530 0.5780000 4.105000 
1 1 1   37   17   22 o   7.6930   2.0380 -1.799000 4.076000 
1 1 1   37   17   23 o   5.6420   1.8090 -0.1905000 3.618000 
1 1 1   37   18    0 o   11.370   2.8420 -0.000000 0.000000 
1 1 1   37   18    1 o   10.800   2.1840 0.3565000 4.368000 
1 1 1   37   18    2 o   12.920   1.9730 1.416000 3.945000 
1 1 1   37   18    3 o   11.110   2.1210 -1.986000 4.243000 
1 1 1   37   18    4 o   9.9960   2.1010 -4.200000 4.202000 
1 1 1   37   18    5 o   7.6510   2.1660 0.2697000 4.332000 
1 1 1   37   18    6 o   28.350   0.9375 -0.1257000 1.875000 
1 1 1   37   18    7 o   11.220   1.9260 -7.049000 3.853000 
1 1 1   37   18    8 o   7.6270   2.1510 1.321000 4.302000 
1 1 1   37   18    9 o   22.920   1.1100 0.6643000 2.220000 
1 1 1   37   18   10 f   14.480   1.7750 2.367000 3.551000 
1 1 1   37   18   11 o   15.690   1.6440 0.2781000 3.288000 
1 1 1   37   18   12 o   11.500   2.1320 2.588000 4.263000 
1 1 1   37   18   13 o   8.8520   2.2290 1.487000 4.459000 
1 1 1   37   18   14 o   12.900   1.9540 -3.453000 3.908000 
1 1 1   37   18   15 o   20.790   1.2000 -0.5202000 2.400000 
1 1 1   37   18   16 o   5.5850   1.7880 -1.999000 3.575000 
1 1 1   37   18   17 o   9.4550   2.0300 6.057000 4.060000 
1 1 1   37   18   18 o   6.3590   1.9540 -0.2094000 3.907000 
1 1 1   37   18   19 o   7.5240   2.0990 0.6734000 4.198000 
1 1 1   37   18   20 o   5.2620   1.7380 -0.1219000 3.477000 
1 1 1   37   18   21 o   6.1810   1.9270 1.683000 3.853000 
1 1 1   37   19    0 o   6.6780   2.8480 -0.000000 0.000000 
1 1 1   37   19    1 o   27.970   0.8977 1.965000 1.795000 
1 1 1   37   19    2 o   14.890   1.6500 0.9849000 3.300000 
1 1 1   37   19    3 o   13.880   1.8740 -11.64000 3.747000 
1 1 1   37   19    4 o   9.8280   2.1590 4.946000 4.317000 
1 1 1   37   19    5 o   15.740   1.6760 2.244000 3.353000 
1 1 1   37   19    6 o   8.9290   2.2480 -0.4642000 4.495000 
1 1 1   37   19    7 o   10.850   2.1940 3.443000 4.389000 
1 1 1   37   19    8 o   8.3820   2.1510 -2.920000 4.301000 
1 1 1   37   19    9 o   14.800   1.8220 2.784000 3.645000 
1 1 1   37   19   10 o   20.110   1.3210 -1.705000 2.643000 
1 1 1   37   19   11 o   10.350   2.1420 4.313000 4.284000 
1 1 1   37   19   12 o   12.420   2.0190 -2.656000 4.038000 
1 1 1   37   19   13 o   9.9450   2.0570 6.346000 4.113000 
1 1 1   37   19   14 o   6.4930   1.9980 1.675000 3.997000 
1 1 1   37   19   15 o   8.2410   2.1700 1.245000 4.340000 
1 1 1   37   19   16 o   11.840   2.0050 -2.371000 4.011000 
1 1 1   37   19   17 o   6.1280   1.9230 0.4097000 3.845000 
1 1 1   37   19   18 o   9.5730   2.1170 -1.365000 4.235000 
1 1 1   37   19   19 o   10.090   2.0420 -2.912000 4.084000 
1 1 1   37   20    0 o   6.2300   2.7630 -0.000000 0.000000 
1 1 1   37   20    1 o   8.9910   2.2200 1.111000 4.441000 
1 1 1   37   20    2 o   13.270   1.8880 0.8547000 3.776000 
1 1 1   37   20    3 o   18.940   1.3300 3.806000 2.660000 
1 1 1   37   20    4 o   12.220   2.0040 3.848000 4.008000 
1 1 1   37   20    5 o   12.310   2.1610 0.5339000 4.322000 
1 1 1   37   20    6 o   15.980   1.6890 0.9517000 3.377000 
1 1 1   37   20    7 o   8.0360   2.0190 6.695000 4.038000 
1 1 1   37   20    8 o   10.100   2.1040 6.395000 4.208000 
1 1 1   37   20    9 o   5.7470   1.8870 0.5676000 3.773000 
1 1 1   37   20   10 o   7.6310   2.1510 -0.7818000 4.302000 
1 1 1   37   20   11 o   8.0310   2.1390 3.668000 4.279000 
1 1 1   37   20   12 o   7.6370   2.1400 -0.4275000 4.281000 
1 1 1   37   20   13 o   7.7360   2.1430 -0.3663000 4.286000 
1 1 1   37   20   14 o   10.980   2.1380 0.7157000E-01 4.276000 
1 1 1   37   20   15 o   8.2920   1.9900 6.139000 3.981000 
1 1 1   37   20   16 o   7.3380   1.9960 4.430000 3.992000 
1 1 1   37   20   17 o   9.7260   2.1290 0.4731000 4.259000 
1 1 1   37   21    0 o   10.020   3.1100 -0.000000 0.000000 
1 1 1   37   21    1 o   8.9610   2.1070 -4.136000 4.214000 
1 1 1   37   21    2 o   9.3930   2.2220 -0.1315000 4.443000 
1 1 1   37   21    3 o   7.3460   2.0670 2.452000 4.134000 
1 1 1   37   21    4 o   6.4460   1.9800 1.269000 3.959000 
1 1 1   37   21    5 o   7.3580   2.1090 0.2758000 4.218000 
1 1 1   37   21    6 o   7.3880   2.1380 2.088000 4.276000 
1 1 1   37   21    7 o   12.810   2.0100 -0.5615000E-01 4.019000 
1 1 1   37   21    8 o   10.050   2.2030 0.6122000E-02 4.406000 
1 1 1   37   21    9 o   6.8930   2.0700 0.4790000 4.140000 
1 1 1   37   21   10 o   12.730   1.9920 0.4905000 3.984000 
1 1 1   37   21   11 o   10.070   1.9940 -4.887000 3.987000 
1 1 1   37   21   12 o   8.5040   2.1280 -2.010000 4.256000 
1 1 1   37   21   13 o   7.0110   2.0370 2.877000 4.074000 
1 1 1   37   21   14 o   7.1720   2.0470 3.055000 4.095000 
1 1 1   37   21   15 o   7.5270   2.1770 -0.4466000E-01 4.354000 
1 1 1   37   22    0 o   6.1140   2.7180 -0.000000 0.000000 
1 1 1   37   22    1 o   11.010   1.9700 5.724000 3.940000 
1 1 1   37   22    2 o   8.5040   2.1510 2.055000 4.302000 
1 1 1   37   22    3 o   9.2480   2.0840 -3.870000 4.168000 
1 1 1   37   22    4 o   8.7170   2.1650 -0.4974000 4.331000 
1 1 1   37   22    5 f   8.5300   2.1590 1.991000 4.318000 
1 1 1   37   22    6 o   10.290   2.0900 2.930000 4.179000 
1 1 1   37   22    7 o   7.8570   2.1120 0.2222000 4.223000 
1 1 1   37   22    8 o   5.4620   1.8020 0.5431000 3.604000 
1 1 1   37   22    9 f   9.0860   1.9100 -5.904000 3.819000 
1 1 1   37   22   10 o   6.1480   1.8950 -1.095000 3.790000 
1 1 1   37   22   11 o   9.2420   2.0260 -3.244000 4.052000 
1 1 1   37   23    0 o   5.3720   2.5020 -0.000000 0.000000 
1 1 1   37   23    1 f   9.3980   2.1420 1.824000 4.284000 
1 1 1   37   23    2 o   6.8460   2.0050 1.616000 4.011000 
1 1 1   37   23    3 o   10.680   2.0900 -1.007000 4.180000 
1 1 1   37   23    4 o   7.6780   2.0830 -0.6347000 4.166000 
1 1 1   37   23    5 o   6.6740   1.9790 0.6593000 3.959000 
1 1 1   37   23    6 o   7.1980   2.0370 0.1212000E-01 4.075000 
1 1 1   38    0    0 o   22.260   1.0920 -0.000000 0.000000 
1 1 1   38    0    1 o   96.210   1.4360 -0.000000 0.000000 
1 1 1   38    0    2 o   90.510   1.3540 -0.000000 0.000000 
1 1 1   38    0    3 o   39.960   0.7164 -0.000000 0.000000 
1 1 1   38    0    4 o  106.700   1.5870 -0.000000 0.000000 
1 1 1   38    0    5 o   20.840   0.7717 -0.000000 0.000000 
1 1 1   38    0    6 o   49.910   0.8144 -0.000000 0.000000 
1 1 1   38    0    7 o   40.090   0.7217 -0.000000 0.000000 
1 1 1   38    0    8 o   33.570   0.6702 -0.000000 0.000000 
1 1 1   38    0    9 o   29.710   0.6871 -0.000000 0.000000 
1 1 1   38    0   10 o   27.790   0.7042 -0.000000 0.000000 
1 1 1   38    0   11 o   27.770   0.7111 -0.000000 0.000000 
1 1 1   38    0   12 o   31.000   0.6985 -0.000000 0.000000 
1 1 1   38    0   13 o   18.330   0.8917 -0.000000 0.000000 
1 1 1   38    0   14 o   49.430   0.8224 -0.000000 0.000000 
1 1 1   38    0   15 o   5.5140   2.0460 -0.000000 0.000000 
1 1 1   38    0   16 o   55.580   0.8933 -0.000000 0.000000 
1 1 1   38    0   17 o   9.0230   1.9710 -0.000000 0.000000 
1 1 1   38    0   18 f   50.060   0.8392 -0.000000 0.000000 
1 1 1   38    0   19 o   89.950   1.3560 -0.000000 0.000000 
1 1 1   38    0   20 o   34.100   0.7711 -0.000000 0.000000 
1 1 1   38    0   21 o   11.490   1.5050 -0.000000 0.000000 
1 1 1   38    0   22 o   23.060   0.8759 -0.000000 0.000000 
1 1 1   38    0   23 o   4.4650   1.9850 -0.000000 0.000000 
1 1 1   38    0   24 o   8.0050   2.2100 -0.000000 0.000000 
1 1 1   38    0   25 o   27.220   0.8659 -0.000000 0.000000 
1 1 1   38    0   26 o   38.510   0.8278 -0.000000 0.000000 
1 1 1   38    0   27 o   12.150   1.4690 -0.000000 0.000000 
1 1 1   38    0   28 o   12.180   3.7830 -0.000000 0.000000 
1 1 1   38    0   29 o   25.320   2.2800 -0.000000 0.000000 
1 1 1   38    0   30 o   6.5140   3.0570 -0.000000 0.000000 
1 1 1   38    0   31 o   10.510   3.7630 -0.000000 0.000000 
1 1 1   38    0   32 o   7.5840   3.3320 -0.000000 0.000000 
1 1 1   38    0   33 o   16.040   3.1720 -0.000000 0.000000 
1 1 1   38    1    1 o   47.290   0.4959 7.922000 0.9917000 
1 1 1   38    1    2 o   7.9370   0.8583 -10.17000 1.717000 
1 1 1   38    1    3 o   55.010   0.5607 -1.092000 1.121000 
1 1 1   38    1    4 o   52.950   0.5435 0.8849000 1.087000 
1 1 1   38    1    5 o   41.660   0.4661 0.4784000 0.9322000 
1 1 1   38    1    6 o   28.370   0.4380 3.174000 0.8760000 
1 1 1   38    1    7 o   75.370   0.6607 -2.102000 1.321000 
1 1 1   38    1    8 o   45.380   0.4409 5.558000 0.8819000 
1 1 1   38    1    9 f   51.880   0.4827 -1.732000 0.9654000 
1 1 1   38    1   10 o   33.890   0.3958 -3.757000 0.7916000 
1 1 1   38    1   11 o   45.450   0.4435 -0.4905000 0.8871000 
1 1 1   38    1   12 o   41.270   0.4216 -1.192000 0.8431000 
1 1 1   38    1   13 o   43.700   0.4396 -1.387000 0.8791000 
1 1 1   38    1   14 f   38.140   0.4155 3.921000 0.8310000 
1 1 1   38    1   15 o   28.180   0.4546 -4.419000 0.9093000 
1 1 1   38    1   16 o   49.950   0.5327 0.2889000 1.065000 
1 1 1   38    1   17 o   63.340   0.6362 2.893000 1.272000 
1 1 1   38    1   18 o   11.660   0.8926 -0.2013000 1.785000 
1 1 1   38    1   19 o   11.860   1.1000 7.248000 2.200000 
1 1 1   38    1   20 o   33.870   0.4758 -0.5250000 0.9517000 
1 1 1   38    1   21 o   11.260   0.9523 -1.629000 1.905000 
1 1 1   38    1   22 o   22.420   0.6510 2.001000 1.302000 
1 1 1   38    1   23 o   15.030   0.9157 -2.657000 1.831000 
1 1 1   38    1   24 o   16.360   0.8661 -1.064000 1.732000 
1 1 1   38    1   25 o   45.820   0.6181 -0.7427000E-02 1.236000 
1 1 1   38    1   26 o   30.320   0.5951 -1.166000 1.190000 
1 1 1   38    1   27 o   17.580   0.6871 -2.016000 1.374000 
1 1 1   38    1   28 o   12.540   2.0780 -4.030000 4.156000 
1 1 1   38    1   29 o   16.540   1.5960 6.495000 3.192000 
1 1 1   38    1   30 o   18.160   2.1820 -2.974000 4.364000 
1 1 1   38    1   31 o   11.080   2.0730 11.50000 4.145000 
1 1 1   38    1   32 o   15.760   2.2710 -6.216000 4.543000 
1 1 1   38    1   33 o   6.6540   2.1880 1.125000 4.376000 
1 1 1   38    2    0 o   68.660   1.0470 -0.000000 0.000000 
1 1 1   38    2    1 o   8.7700   1.0680 -8.473000 2.135000 
1 1 1   38    2    2 o   31.670   0.4638 1.549000 0.9277000 
1 1 1   38    2    3 o   62.840   0.6835 2.086000 1.367000 
1 1 1   38    2    4 o   51.580   0.5846 -2.944000 1.169000 
1 1 1   38    2    5 o   33.040   0.4764 3.610000 0.9527000 
1 1 1   38    2    6 o   84.380   0.8958 3.731000 1.792000 
1 1 1   38    2    7 o   17.950   0.5915 -3.254000 1.183000 
1 1 1   38    2    8 o   46.930   0.5493 -2.598000 1.099000 
1 1 1   38    2    9 o   22.630   0.5157 2.063000 1.031000 
1 1 1   38    2   10 f   63.430   0.6940 -0.5756000 1.388000 
1 1 1   38    2   11 o   34.580   0.4926 -4.054000 0.9852000 
1 1 1   38    2   12 o   13.630   0.7629 -0.8481000 1.526000 
1 1 1   38    2   13 o   12.640   0.8536 -0.6339000 1.707000 
1 1 1   38    2   14 o   24.560   0.5336 -1.582000 1.067000 
1 1 1   38    2   15 o   32.420   0.4591 -3.256000 0.9182000 
1 1 1   38    2   16 o   29.450   0.4686 0.2941000 0.9372000 
1 1 1   38    2   17 o   35.990   0.4739 -1.362000 0.9479000 
1 1 1   38    2   18 o  100.500   0.9716 -0.1399000 1.943000 
1 1 1   38    2   19 o   45.110   0.5190 -0.3867000 1.038000 
1 1 1   38    2   20 o   30.620   0.5624 -2.067000 1.125000 
1 1 1   38    2   21 o   30.520   0.5074 1.664000 1.015000 
1 1 1   38    2   22 o   42.310   0.5266 -4.692000 1.053000 
1 1 1   38    2   23 o   27.150   0.5688 2.332000 1.138000 
1 1 1   38    2   24 o   26.410   0.5675 -2.262000 1.135000 
1 1 1   38    2   25 o   9.1280   1.3730 3.086000 2.747000 
1 1 1   38    2   26 o   9.5910   1.2930 -1.559000 2.587000 
1 1 1   38    2   27 o   13.460   1.0740 2.095000 2.148000 
1 1 1   38    2   28 o   23.680   0.6880 -4.544000 1.376000 
1 1 1   38    2   29 o   17.280   1.8860 1.246000 3.773000 
1 1 1   38    2   30 o   11.520   2.1550 1.104000 4.311000 
1 1 1   38    2   31 o   6.9160   2.0760 2.188000 4.151000 
1 1 1   38    2   32 o   17.750   2.0560 2.192000 4.113000 
1 1 1   38    2   33 o   11.650   2.3070 -7.153000 4.613000 
1 1 1   38    3    0 f   20.710   0.7641 -0.000000 0.000000 
1 1 1   38    3    1 o   53.000   0.8468      ?      ? 
1 1 1   38    3    2 o   45.910   0.5452 3.620000 1.090000 
1 1 1   38    3    3 o   32.870   0.4777 1.887000 0.9555000 
1 1 1   38    3    4 o   26.370   0.4947 -0.9216000 0.9893000 
1 1 1   38    3    5 o   50.670   0.5812 1.774000 1.162000 
1 1 1   38    3    6 o   35.970   0.4874 -1.294000 0.9749000 
1 1 1   38    3    7 o   44.830   0.5378 -0.9109000 1.076000 
1 1 1   38    3    8 o   59.580   0.6583 -0.3121000 1.317000 
1 1 1   38    3    9 o   34.950   0.4959 2.009000 0.9918000 
1 1 1   38    3   10 o   28.500   0.4977 -0.4553000E-01 0.9955000 
1 1 1   38    3   11 o   38.340   0.5064 -3.023000 1.013000 
1 1 1   38    3   12 o   24.320   0.5237 -2.022000 1.047000 
1 1 1   38    3   13 o   31.340   0.5118 -0.9727000 1.024000 
1 1 1   38    3   14 o   42.650   0.5398 3.791000 1.080000 
1 1 1   38    3   15 o   18.680   1.0030      ?      ? 
1 1 1   38    3   16 o   26.990   0.5263 -0.4134000 1.053000 
1 1 1   38    3   17 o   47.120   0.5786 -1.960000 1.157000 
1 1 1   38    3   18 o   24.020   0.8065      ?      ? 
1 1 1   38    3   19 o   49.440   0.6038 -5.136000 1.208000 
1 1 1   38    3   20 o   41.880   0.5648 0.5330000 1.130000 
1 1 1   38    3   21 o   17.970   0.8073 1.290000 1.615000 
1 1 1   38    3   22 o   53.040   0.5877 -0.8136000 1.175000 
1 1 1   38    3   23 o   11.090   1.2380 0.4803000 2.476000 
1 1 1   38    3   24 o   35.100   0.5270 0.2849000 1.054000 
1 1 1   38    3   25 o   36.600   0.5308 -1.931000 1.062000 
1 1 1   38    3   26 o   34.960   0.5430 -0.8822000 1.086000 
1 1 1   38    3   27 o   11.010   1.4470 5.206000 2.895000 
1 1 1   38    3   28 o   15.770   1.1520 -2.379000 2.303000 
1 1 1   38    3   29 o   18.880   0.8075 0.4475000 1.615000 
1 1 1   38    3   30 o   15.450   1.1120 1.879000 2.224000 
1 1 1   38    3   31 o   10.970   1.5130 2.787000 3.025000 
1 1 1   38    3   32 o   7.3730   1.5850 3.035000 3.169000 
1 1 1   38    3   33 o   7.9040   1.5970 4.280000 3.194000 
1 1 1   38    4    0 o   41.550   0.7463 -0.000000 0.000000 
1 1 1   38    4    1 o   42.980   0.5352 -2.276000 1.070000 
1 1 1   38    4    2 o   67.180   0.7323 5.481000 1.465000 
1 1 1   38    4    3 o   62.090   0.6846 -4.092000 1.369000 
1 1 1   38    4    4 o   29.960   0.4923 -3.956000 0.9847000 
1 1 1   38    4    5 o   72.270   0.7785 -2.390000 1.557000 
1 1 1   38    4    6 o   19.030   0.5921 -1.360000 1.184000 
1 1 1   38    4    7 o   47.150   0.5595 -0.6348000 1.119000 
1 1 1   38    4    8 o   55.060   0.6235 2.827000 1.247000 
1 1 1   38    4    9 o   41.010   0.5315 -5.146000 1.063000 
1 1 1   38    4   10 o   15.900   0.7577 -2.282000 1.515000 
1 1 1   38    4   11 o   31.030   0.5113 4.168000 1.023000 
1 1 1   38    4   12 o   14.380   0.8393 -1.934000 1.679000 
1 1 1   38    4   13 o   7.0750   1.4860 2.369000 2.972000 
1 1 1   38    4   14 o   12.110   0.9834 -2.365000 1.967000 
1 1 1   38    4   15 o   17.120   0.7490 -1.351000 1.498000 
1 1 1   38    4   16 o   31.560   0.5399 -3.051000 1.080000 
1 1 1   38    4   17 o   35.750   0.5484 -0.9958000 1.097000 
1 1 1   38    4   18 o   37.600   0.5575 2.740000 1.115000 
1 1 1   38    4   19 o   44.200   0.5846 0.9309000E-01 1.169000 
1 1 1   38    4   20 o   39.940   0.5825 -0.4177000 1.165000 
1 1 1   38    4   21 o   30.360   0.5739 -0.1731000 1.148000 
1 1 1   38    4   22 o   25.800   0.6446 0.9237000 1.289000 
1 1 1   38    4   23 o   47.160   0.5776 0.6159000 1.155000 
1 1 1   38    4   24 o   52.970   0.6105 2.229000 1.221000 
1 1 1   38    4   25 o   35.430   0.5875 0.5427000 1.175000 
1 1 1   38    4   26 o   27.230   0.6751 -0.7947000 1.350000 
1 1 1   38    4   27 f   13.370   1.3330 0.8787000 2.665000 
1 1 1   38    4   28 o   23.500   0.6827      ?      ? 
1 1 1   38    4   29 o   15.550   1.1110 0.6088000E-01 2.222000 
1 1 1   38    4   30 o   24.170   0.7078 -0.5882000 1.416000 
1 1 1   38    4   31 o   11.660   1.4220 3.919000 2.843000 
1 1 1   38    4   32 o   9.0410   1.8890 -0.3111000 3.777000 
1 1 1   38    4   33 o   8.2130   1.7280 1.914000 3.456000 
1 1 1   38    5    0 o   20.290   0.8912 -0.000000 0.000000 
1 1 1   38    5    1 o   33.620   0.5228 1.759000 1.046000 
1 1 1   38    5    2 o   15.940   0.8137 4.991000 1.627000 
1 1 1   38    5    3 o   45.430   0.5599 -1.488000 1.120000 
1 1 1   38    5    4 o   20.440   0.6115 1.422000 1.223000 
1 1 1   38    5    5 o   45.990   0.5630 4.838000 1.126000 
1 1 1   38    5    6 o   46.530   0.5667 0.7237000 1.133000 
1 1 1   38    5    8 o   28.100   0.5377 3.845000 1.075000 
1 1 1   38    5    9 o   17.470   0.7297 -0.9538000 1.459000 
1 1 1   38    5   10 o   72.740   0.7922 -3.273000 1.584000 
1 1 1   38    5   11 o   35.130   0.5335 -2.128000 1.067000 
1 1 1   38    5   12 o   17.810   0.8027 -8.729000 1.605000 
1 1 1   38    5   13 o   15.690   0.8744 3.824000 1.749000 
1 1 1   38    5   14 o   4.7510   1.4510 0.4174000 2.901000 
1 1 1   38    5   15 o   7.5700   1.6140 1.193000 3.227000 
1 1 1   38    5   16 o   36.590   0.5626 -0.9609000 1.125000 
1 1 1   38    5   17 o   35.330   0.5716 2.805000 1.143000 
1 1 1   38    5   18 o   26.290   0.6455 4.150000 1.291000 
1 1 1   38    5   19 o   42.050   0.5380 0.4763000 1.076000 
1 1 1   38    5   20 o   25.440   0.6335 1.285000 1.267000 
1 1 1   38    5   21 o   42.870   0.5622 -0.3318000 1.124000 
1 1 1   38    5   22 o   51.300   0.5990 0.5903000 1.198000 
1 1 1   38    5   23 o   10.960   1.5260 1.226000 3.053000 
1 1 1   38    5   24 o   12.460   1.5860 -1.348000 3.171000 
1 1 1   38    5   25 o   38.730   0.6069 -1.545000 1.214000 
1 1 1   38    5   26 o   19.380   0.9983 2.508000 1.997000 
1 1 1   38    5   27 o   21.610   0.8757 -0.2907000 1.751000 
1 1 1   38    5   28 o   22.850   0.8664 0.6654000 1.733000 
1 1 1   38    5   29 o   22.210   0.8636 -0.7941000 1.727000 
1 1 1   38    5   30 o   18.460   1.0040 0.6961000 2.008000 
1 1 1   38    5   31 o   11.350   1.5450 2.334000 3.090000 
1 1 1   38    5   32 o   9.3550   1.4800 2.319000 2.960000 
1 1 1   38    6    0 o   70.280   1.0900 -0.000000 0.000000 
1 1 1   38    6    1 o   25.140   0.5853 0.9937000 1.171000 
1 1 1   38    6    2 o   45.580   0.5733 1.855000 1.147000 
1 1 1   38    6    3 o   6.4440   1.5440 2.281000 3.089000 
1 1 1   38    6    4 f   7.9000   1.4740 3.135000 2.948000 
1 1 1   38    6    5 o   8.7090   1.4170 -3.407000 2.834000 
1 1 1   38    6    6 o   26.440   0.5842 -4.965000 1.168000 
1 1 1   38    6    7 o   41.610   0.5508 -0.7304000 1.102000 
1 1 1   38    6    8 f   29.950   0.5480 1.684000 1.096000 
1 1 1   38    6    9 o   7.4480   1.5030 3.655000 3.006000 
1 1 1   38    6   10 o   40.760   0.5631 -0.1788000 1.126000 
1 1 1   38    6   11 o   13.010   1.1420 -4.001000 2.283000 
1 1 1   38    6   12 o   19.550   0.7514 0.7887000 1.503000 
1 1 1   38    6   13 o   12.840   1.1550 1.194000 2.310000 
1 1 1   38    6   14 o   31.020   0.5802 -2.672000 1.160000 
1 1 1   38    6   15 o   31.200   0.5850 -1.182000 1.170000 
1 1 1   38    6   16 o   21.120   0.7410 -0.1969000 1.482000 
1 1 1   38    6   17 o   51.450   0.5830 2.014000 1.166000 
1 1 1   38    6   18 o   25.220   0.6363 -0.8381000 1.273000 
1 1 1   38    6   19 o   36.640   0.5598 2.502000 1.120000 
1 1 1   38    6   20 o   16.180   1.0330 2.651000 2.066000 
1 1 1   38    6   21 o   43.720   0.5857 1.772000 1.171000 
1 1 1   38    6   22 o   9.7210   1.6230 3.969000 3.245000 
1 1 1   38    6   23 o   17.560   0.9905 -0.8897000 1.981000 
1 1 1   38    6   24 o   35.440   0.6324 -1.387000 1.265000 
1 1 1   38    6   25 o   29.510   0.7292 1.610000 1.458000 
1 1 1   38    6   26 o   22.250   0.8773 -0.7445000 1.755000 
1 1 1   38    6   27 o   36.490   0.6473 -2.063000 1.295000 
1 1 1   38    6   28 o   17.030   1.2110 3.253000 2.421000 
1 1 1   38    6   29 o   6.4570   1.8440 -3.050000 3.688000 
1 1 1   38    6   30 o   21.880   0.8799 1.382000 1.760000 
1 1 1   38    6   31 o   21.550   0.8764 -1.758000 1.753000 
1 1 1   38    6   32 o   13.350   1.2980 -0.9107000E-01 2.596000 
1 1 1   38    7    0 o   11.960   1.6960 -0.000000 0.000000 
1 1 1   38    7    1 o   13.900   1.0380 -3.277000 2.075000 
1 1 1   38    7    2 o   16.680   0.8526 -2.867000 1.705000 
1 1 1   38    7    3 o   19.530   0.7383 1.570000 1.477000 
1 1 1   38    7    4 o   20.100   0.7464 -5.120000 1.493000 
1 1 1   38    7    5 o   19.160   0.7619 -3.517000 1.524000 
1 1 1   38    7    6 o   39.400   0.5605 -1.296000 1.121000 
1 1 1   38    7    7 o   12.950   1.0600 -0.1456000 2.121000 
1 1 1   38    7    8 o   40.710   0.5659 0.9641000 1.132000 
1 1 1   38    7    9 o   16.650   1.2220      ?      ? 
1 1 1   38    7   10 o   21.990   0.7117 -0.7832000 1.423000 
1 1 1   38    7   11 o   13.990   1.0930 2.385000 2.187000 
1 1 1   38    7   12 f   8.1300   1.6710 2.627000 3.343000 
1 1 1   38    7   13 o   21.050   0.7560 -0.9045000 1.512000 
1 1 1   38    7   14 o   29.160   0.5602 -1.531000 1.120000 
1 1 1   38    7   15 o   14.080   1.1220 4.161000 2.243000 
1 1 1   38    7   16 o   34.220   0.5659 -2.655000 1.132000 
1 1 1   38    7   17 o   14.620   1.1200 3.674000 2.240000 
1 1 1   38    7   18 o   73.220   0.7433 3.518000 1.487000 
1 1 1   38    7   19 o   18.750   0.8919 0.3415000 1.784000 
1 1 1   38    7   20 o   37.350   0.6047 2.727000 1.209000 
1 1 1   38    7   21 o   17.440   1.0220 -0.1032000 2.045000 
1 1 1   38    7   22 o   36.000   0.6286 0.3157000 1.257000 
1 1 1   38    7   23 o   8.6150   1.7620 3.398000 3.524000 
1 1 1   38    7   24 o   40.580   0.6287 1.297000 1.257000 
1 1 1   38    7   25 o   15.190   1.3450 1.598000 2.689000 
1 1 1   38    7   26 o   12.060   1.9110 2.905000 3.822000 
1 1 1   38    7   27 o   9.1350   1.8720 2.334000 3.743000 
1 1 1   38    7   28 o   18.400   1.0690 -3.054000 2.138000 
1 1 1   38    7   29 o   11.800   1.7530 2.803000 3.506000 
1 1 1   38    7   30 f   17.000   1.1310 -2.938000 2.262000 
1 1 1   38    7   31 o   8.0120   1.8960 -0.2802000 3.793000 
1 1 1   38    7   32 o   8.4690   1.5100 -9.191000 3.020000 
1 1 1   38    8    0 o   6.1180   2.3800 -0.000000 0.000000 
1 1 1   38    8    1 o   27.470   0.6420 -1.127000 1.284000 
1 1 1   38    8    2 o   25.810   0.6456 0.5552000 1.291000 
1 1 1   38    8    3 o   34.640   0.5843 2.008000 1.169000 
1 1 1   38    8    4 o   36.660   0.5688 -3.669000 1.138000 
1 1 1   38    8    5 o   19.020   0.8600 -6.514000 1.720000 
1 1 1   38    8    6 o   31.560   0.6109 2.683000 1.222000 
1 1 1   38    8    7 o   23.630   0.7008 -0.2527000 1.402000 
1 1 1   38    8    8 o   26.710   0.6524 2.332000 1.305000 
1 1 1   38    8    9 o   12.780   1.2110 -1.240000 2.421000 
1 1 1   38    8   10 o   45.420   0.6119 2.957000 1.224000 
1 1 1   38    8   11 o   31.920   0.5577 -3.758000 1.115000 
1 1 1   38    8   12 o   7.7970   1.5260 4.490000 3.053000 
1 1 1   38    8   13 o   11.340   1.3660 -3.419000 2.733000 
1 1 1   38    8   14 o   18.820   0.8560 2.109000 1.712000 
1 1 1   38    8   15 o   31.650   0.6015 0.8134000 1.203000 
1 1 1   38    8   16 o   39.300   0.5871 -0.8655000 1.174000 
1 1 1   38    8   17 o   51.770   0.6115 2.183000 1.223000 
1 1 1   38    8   18 o   19.120   1.0300 3.047000 2.059000 
1 1 1   38    8   19 o   11.870   1.9700      ?      ? 
1 1 1   38    8   20 o   28.930   0.7092 -0.6818000 1.418000 
1 1 1   38    8   21 o   6.1530   1.8140 -0.8159000 3.628000 
1 1 1   38    8   22 o   9.2690   1.9580 -0.4941000 3.917000 
1 1 1   38    8   23 o   13.180   1.6220 -6.521000 3.245000 
1 1 1   38    8   24 o   12.820   1.6430 -1.746000 3.286000 
1 1 1   38    8   25 o   20.560   1.1820 -0.6846000 2.363000 
1 1 1   38    8   26 o   12.050   1.7820 1.960000 3.563000 
1 1 1   38    8   27 o   7.6010   1.9310 -4.726000 3.861000 
1 1 1   38    8   28 o   19.750   1.1650 -0.7950000 2.330000 
1 1 1   38    8   29 o   8.9440   1.9440 -4.573000 3.888000 
1 1 1   38    8   30 o   6.5750   1.7790 2.006000 3.558000 
1 1 1   38    8   31 o   7.6390   1.8340 -5.108000 3.668000 
1 1 1   38    9    0 o   22.120   1.1240 -0.000000 0.000000 
1 1 1   38    9    1 o   28.550   0.6461 -0.5395000 1.292000 
1 1 1   38    9    2 o   11.220   1.4680 8.812000 2.936000 
1 1 1   38    9    3 f   42.600   0.6163 -4.011000 1.233000 
1 1 1   38    9    4 o   27.750   0.6836 -2.952000 1.367000 
1 1 1   38    9    5 o   29.820   0.6395 -0.6230000 1.279000 
1 1 1   38    9    6 o   33.000   0.6272 -0.8882000 1.254000 
1 1 1   38    9    7 f   17.480   0.9616 -2.857000 1.923000 
1 1 1   38    9    8 o   21.710   0.7334 -0.2904000 1.467000 
1 1 1   38    9    9 o   43.360   0.5700 5.176000 1.140000 
1 1 1   38    9   10 o   21.080   0.7738 -0.9221000 1.548000 
1 1 1   38    9   11 o   33.940   0.5829 2.110000 1.166000 
1 1 1   38    9   12 o   55.560   0.6299 -3.077000 1.260000 
1 1 1   38    9   13 o   24.560   0.7198 2.658000 1.440000 
1 1 1   38    9   14 o   25.600   0.7269 3.228000 1.454000 
1 1 1   38    9   15 o   11.800   1.5600 5.476000 3.121000 
1 1 1   38    9   16 o   27.960   0.7065 0.4309000E-02 1.413000 
1 1 1   38    9   17 o   31.570   0.6672 -1.082000 1.334000 
1 1 1   38    9   18 o   32.060   0.6804 2.397000 1.361000 
1 1 1   38    9   19 o   25.780   0.7956 0.7965000 1.591000 
1 1 1   38    9   20 o   23.310   0.8899 0.5114000E-01 1.780000 
1 1 1   38    9   21 o   11.600   1.8310 0.4285000 3.661000 
1 1 1   38    9   22 o   30.440   0.8718 1.075000 1.744000 
1 1 1   38    9   23 o   32.840   0.7474 -0.9809000 1.495000 
1 1 1   38    9   24 o   12.590   1.9790 1.045000 3.958000 
1 1 1   38    9   25 o   14.230   1.5930 -1.445000 3.186000 
1 1 1   38    9   26 o   8.1990   1.8160 4.462000 3.633000 
1 1 1   38    9   27 o   19.250   1.1530 1.415000 2.306000 
1 1 1   38    9   28 o   7.8720   2.0330 -1.198000 4.066000 
1 1 1   38    9   29 o   9.0490   1.8230 4.111000 3.646000 
1 1 1   38    9   30 o   16.620   1.3410 4.158000 2.682000 
1 1 1   38    9   31 o   7.4490   1.9320 -2.626000 3.864000 
1 1 1   38   10    0 o   35.140   0.8980 -0.000000 0.000000 
1 1 1   38   10    1 o   60.540   0.7172 -2.860000 1.434000 
1 1 1   38   10    2 o   52.930   0.6701 -0.5293000 1.340000 
1 1 1   38   10    3 o   32.480   0.6538 -3.255000 1.308000 
1 1 1   38   10    4 o   52.520   0.6120 0.5934000E-01 1.224000 
1 1 1   38   10    5 o   15.400   1.1340 2.275000 2.267000 
1 1 1   38   10    6 o   9.8480   1.6210 3.840000 3.241000 
1 1 1   38   10    7 o   6.7060   1.7840 -0.1049000 3.568000 
1 1 1   38   10    8 o   60.340   0.6598 -3.849000 1.320000 
1 1 1   38   10    9 o   6.0850   1.7470 0.5711000E-01 3.494000 
1 1 1   38   10   10 o   13.330   1.2880 -1.222000 2.576000 
1 1 1   38   10   11 o   51.870   0.6153 2.271000 1.231000 
1 1 1   38   10   12 o   20.900   0.8597 -0.6381000 1.719000 
1 1 1   38   10   13 o   29.910   0.6849 -4.109000 1.370000 
1 1 1   38   10   14 o   36.830   0.6369 1.622000 1.274000 
1 1 1   38   10   15 o   65.150   0.7044 2.197000 1.409000 
1 1 1   38   10   16 o   51.880   0.6459 -0.6205000 1.292000 
1 1 1   38   10   17 o   23.480   0.8734 0.1420000E-01 1.747000 
1 1 1   38   10   18 o   23.670   0.9071 -4.237000 1.814000 
1 1 1   38   10   19 o   10.440   1.5520 9.899000 3.104000 
1 1 1   38   10   20 o   20.430   1.0670 -2.802000 2.135000 
1 1 1   38   10   21 o   29.530   0.7960 0.5682000 1.592000 
1 1 1   38   10   22 f   14.280   1.6430 -3.723000 3.286000 
1 1 1   38   10   23 o   10.510   2.0700 -2.538000 4.140000 
1 1 1   38   10   24 o   7.6070   2.0680 0.8502000 4.136000 
1 1 1   38   10   25 o   23.000   1.0370 -0.6467000 2.074000 
1 1 1   38   10   26 o   6.3200   1.9330 -1.916000 3.866000 
1 1 1   38   10   27 o   11.790   1.9160 -2.865000 3.833000 
1 1 1   38   10   28 o   10.280   2.0100 -2.295000 4.020000 
1 1 1   38   10   29 o   12.430   1.7170 -4.805000 3.435000 
1 1 1   38   10   30 o   13.520   1.5220 -2.602000 3.043000 
1 1 1   38   11    0 o   12.720   1.7880 -0.000000 0.000000 
1 1 1   38   11    1 o   10.870   1.6120 3.607000 3.225000 
1 1 1   38   11    2 o   33.420   0.6316 -4.657000 1.263000 
1 1 1   38   11    3 o   34.100   0.6294 -1.199000 1.259000 
1 1 1   38   11    4 o   33.130   0.6488 -1.977000 1.298000 
1 1 1   38   11    5 o   15.360   1.1760 0.4820000 2.351000 
1 1 1   38   11    6 o   9.1970   1.6970 -5.612000 3.394000 
1 1 1   38   11    7 o   22.930   0.8261 0.2667000 1.652000 
1 1 1   38   11    8 o   37.800   0.6216 -1.619000 1.243000 
1 1 1   38   11    9 o   9.1740   1.4800 8.470000 2.960000 
1 1 1   38   11   10 o   59.330   0.6682 0.4777000 1.336000 
1 1 1   38   11   11 o   42.380   0.6254 -2.813000 1.251000 
1 1 1   38   11   12 o   31.870   0.6977 0.8587000E-01 1.395000 
1 1 1   38   11   13 o   18.250   1.0950 2.435000 2.190000 
1 1 1   38   11   14 o   12.530   1.6370 0.3668000 3.274000 
1 1 1   38   11   15 o   49.810   0.6500 1.692000 1.300000 
1 1 1   38   11   16 o   10.360   1.9800 -0.7224000 3.960000 
1 1 1   38   11   17 o   10.510   1.9610 -0.8937000 3.922000 
1 1 1   38   11   18 o   29.030   0.8324 1.469000 1.665000 
1 1 1   38   11   19 o   36.510   0.7401 -2.398000 1.480000 
1 1 1   38   11   20 o   22.740   1.0260 0.3767000 2.052000 
1 1 1   38   11   21 o   6.8110   1.9610 -3.876000 3.923000 
1 1 1   38   11   22 f   9.9390   1.9220 -7.584000 3.845000 
1 1 1   38   11   23 o   13.390   1.8870 3.004000 3.773000 
1 1 1   38   11   24 o   7.1600   2.0230 1.766000 4.045000 
1 1 1   38   11   25 o   9.8030   2.0860 -3.774000 4.172000 
1 1 1   38   11   26 o   15.520   1.6520 2.734000 3.304000 
1 1 1   38   11   27 o   5.5460   1.8100 -0.7147000 3.621000 
1 1 1   38   11   28 o   8.7030   2.1000 -0.1381000E-01 4.200000 
1 1 1   38   11   29 o   12.790   1.7680 0.7090000 3.536000 
1 1 1   38   12    0 o   66.100   0.9132 -0.000000 0.000000 
1 1 1   38   12    1 o   36.840   0.5884 5.137000 1.177000 
1 1 1   38   12    2 o   25.840   0.7212 2.943000 1.442000 
1 1 1   38   12    3 o   25.590   0.7336 -0.3041000E-01 1.467000 
1 1 1   38   12    4 o   28.290   0.6891 -0.5027000 1.378000 
1 1 1   38   12    5 o   53.610   0.5909 0.9904000 1.182000 
1 1 1   38   12    6 o   40.690   0.6389 -1.687000 1.278000 
1 1 1   38   12    7 o   41.050   0.6380 0.9644000 1.276000 
1 1 1   38   12    8 o   28.690   0.7611 0.1611000E-01 1.522000 
1 1 1   38   12    9 o   30.490   0.7297 -3.886000 1.459000 
1 1 1   38   12   10 o   19.750   1.0500 3.582000 2.101000 
1 1 1   38   12   11 o   17.370   1.1760 -2.602000 2.352000 
1 1 1   38   12   12 o   24.250   0.8998 0.4099000 1.800000 
1 1 1   38   12   13 o   44.110   0.6688 -1.220000 1.338000 
1 1 1   38   12   14 o   54.190   0.6796 0.9762000 1.359000 
1 1 1   38   12   15 o   15.850   1.4260 1.605000 2.852000 
1 1 1   38   12   16 o   21.710   1.0440 0.9010000 2.088000 
1 1 1   38   12   17 o   19.800   1.1800 1.936000 2.360000 
1 1 1   38   12   18 o   44.670   0.7077 2.655000 1.415000 
1 1 1   38   12   19 o   23.580   1.0720 -2.868000 2.144000 
1 1 1   38   12   20 o   19.930   1.2620 -3.800000 2.524000 
1 1 1   38   12   21 o   11.270   2.1530 0.9590000 4.306000 
1 1 1   38   12   22 o   12.490   1.9020 7.699000 3.803000 
1 1 1   38   12   23 o   8.3190   2.1800 1.315000 4.360000 
1 1 1   38   12   24 o   12.790   1.9810 1.017000 3.961000 
1 1 1   38   12   25 o   17.840   1.4280 0.1185000 2.856000 
1 1 1   38   12   26 o   9.5850   2.2160 -1.209000 4.432000 
1 1 1   38   12   27 o   10.170   2.1540 -0.4517000 4.308000 
1 1 1   38   12   28 o   5.6170   1.7900 0.9967000 3.580000 
1 1 1   38   13    0 o   4.9050   2.2590 -0.000000 0.000000 
1 1 1   38   13    1 o   11.510   1.6330 5.332000 3.266000 
1 1 1   38   13    2 o   32.980   0.6561 -1.441000 1.312000 
1 1 1   38   13    3 o   7.5340   1.7920 4.035000 3.583000 
1 1 1   38   13    4 o   25.280   0.7902 1.907000 1.580000 
1 1 1   38   13    5 o   42.570   0.5979 -1.649000 1.196000 
1 1 1   38   13    6 o   23.920   0.8339 -0.1180000 1.668000 
1 1 1   38   13    7 o   30.710   0.6896 -1.253000 1.379000 
1 1 1   38   13    8 o   18.370   1.1020 4.285000 2.205000 
1 1 1   38   13    9 o   64.290   0.6498 0.2712000 1.300000 
1 1 1   38   13   10 o   12.420   1.6340 1.735000 3.267000 
1 1 1   38   13   11 o   5.0220   1.6380 1.786000 3.277000 
1 1 1   38   13   12 o   19.450   1.0640 2.267000 2.127000 
1 1 1   38   13   13 o   20.800   1.0340 -1.674000 2.067000 
1 1 1   38   13   14 o   26.500   0.9220 0.4084000 1.844000 
1 1 1   38   13   15 o   10.710   1.9440 4.887000 3.889000 
1 1 1   38   13   16 o   42.880   0.7221 5.069000 1.444000 
1 1 1   38   13   17 o   45.960   0.7156 -1.293000 1.431000 
1 1 1   38   13   18 f   26.340   0.9925 2.901000 1.985000 
1 1 1   38   13   19 o   29.310   0.9317 -1.048000 1.863000 
1 1 1   38   13   20 o   15.840   1.7070 1.651000 3.413000 
1 1 1   38   13   21 o   17.040   1.6200 2.829000 3.240000 
1 1 1   38   13   22 o   13.790   1.9990 -0.1791000 3.998000 
1 1 1   38   13   23 o   10.940   2.2000 2.300000 4.399000 
1 1 1   38   13   24 o   15.040   1.8050 1.942000 3.609000 
1 1 1   38   13   25 o   7.2910   2.1260 -1.617000 4.252000 
1 1 1   38   13   26 o   12.130   1.9110 -6.991000 3.823000 
1 1 1   38   13   27 o   13.000   1.8810 1.940000 3.761000 
1 1 1   38   13   28 o   10.470   2.5140 -3.965000 5.028000 
1 1 1   38   14    0 o   38.160   0.9002 -0.000000 0.000000 
1 1 1   38   14    1 o   35.280   0.6636 0.4941000 1.327000 
1 1 1   38   14    2 f   39.040   0.6398 -2.691000 1.280000 
1 1 1   38   14    3 o   10.260   1.8990 0.9286000 3.798000 
1 1 1   38   14    4 o   7.2000   1.7170 -5.638000 3.434000 
1 1 1   38   14    5 o   37.660   0.6546 1.905000 1.309000 
1 1 1   38   14    6 o   4.9940   1.6490 -0.3601000 3.299000 
1 1 1   38   14    7 o   21.550   1.0010 -0.4645000 2.003000 
1 1 1   38   14    8 o   4.9920   1.6490 0.7665000 3.298000 
1 1 1   38   14    9 o   17.230   1.2430 0.5871000 2.487000 
1 1 1   38   14   10 o   38.190   0.6872 -1.430000 1.374000 
1 1 1   38   14   11 o   20.850   1.0830 2.727000 2.165000 
1 1 1   38   14   12 o   15.580   1.5090 4.333000 3.018000 
1 1 1   38   14   13 o   7.2090   2.0420 1.276000 4.083000 
1 1 1   38   14   14 o   9.9730   1.9670 3.079000 3.933000 
1 1 1   38   14   15 o   10.300   1.9960 -0.4172000E-01 3.992000 
1 1 1   38   14   16 o   38.680   0.6724 -1.000000 1.345000 
1 1 1   38   14   17 o   19.370   1.1800 -1.325000 2.359000 
1 1 1   38   14   18 o   25.400   0.9504 0.4605000E-01 1.901000 
1 1 1   38   14   19 f   18.580   1.2940 -2.991000 2.587000 
1 1 1   38   14   20 o   14.760   1.7110 -7.017000 3.423000 
1 1 1   38   14   21 o   7.5040   2.0330 3.206000 4.066000 
1 1 1   38   14   22 o   8.2550   2.1080 2.383000 4.215000 
1 1 1   38   14   23 o   10.730   1.6490 10.43000 3.299000 
1 1 1   38   14   24 o   8.7130   1.8400 6.932000 3.681000 
1 1 1   38   14   25 f   7.6840   1.9080 4.363000 3.815000 
1 1 1   38   14   26 o   11.130   1.7990 -8.025000 3.597000 
1 1 1   38   14   27 o   9.8850   2.3920 2.141000 4.784000 
1 1 1   38   15    0 o   42.990   0.9119 -0.000000 0.000000 
1 1 1   38   15    1 o   21.720   0.9926 0.1422000 1.985000 
1 1 1   38   15    2 o   18.730   1.1540 1.698000 2.309000 
1 1 1   38   15    3 o   21.470   1.0200 -0.5499000E-01 2.039000 
1 1 1   38   15    4 o   28.590   0.8371 -0.5562000 1.674000 
1 1 1   38   15    5 o   48.970   0.6394 -1.679000 1.279000 
1 1 1   38   15    6 o   33.890   0.7336 -1.045000 1.467000 
1 1 1   38   15    7 o   22.220   1.0520 1.873000 2.105000 
1 1 1   38   15    8 o   32.420   0.7717 0.2787000 1.543000 
1 1 1   38   15    9 o   15.450   1.3850 1.896000 2.770000 
1 1 1   38   15   10 f   20.910   1.0540 -1.674000 2.108000 
1 1 1   38   15   11 o   28.080   0.8117 3.506000 1.623000 
1 1 1   38   15   12 o   31.420   0.9976 -4.796000 1.995000 
1 1 1   38   15   13 o   8.2390   1.9840 -2.730000 3.967000 
1 1 1   38   15   14 o   11.080   1.9930 1.353000 3.986000 
1 1 1   38   15   15 f   20.160   1.2040 -3.227000 2.408000 
1 1 1   38   15   16 o   6.8840   2.0230 1.338000 4.047000 
1 1 1   38   15   17 o   11.080   2.0450 -0.1708000 4.090000 
1 1 1   38   15   18 o   16.530   1.6690 -8.567000 3.337000 
1 1 1   38   15   19 o   13.260   1.8370 -7.409000 3.674000 
1 1 1   38   15   20 o   6.5180   1.9700 -0.5441000 3.940000 
1 1 1   38   15   21 o   6.2220   1.9290 0.7620000 3.859000 
1 1 1   38   15   22 o   6.5470   1.9660 -0.1173000 3.933000 
1 1 1   38   15   23 o   8.0560   2.1010 1.349000 4.202000 
1 1 1   38   15   24 o   8.1230   1.9930 4.183000 3.987000 
1 1 1   38   15   25 o   8.8070   1.9520 -3.384000 3.903000 
1 1 1   38   16    0 o   8.9630   3.0910 -0.000000 0.000000 
1 1 1   38   16    1 o   16.820   1.4700 -3.047000 2.941000 
1 1 1   38   16    2 o   31.110   0.8385 0.9697000 1.677000 
1 1 1   38   16    3 o   24.340   1.0090 0.4811000 2.017000 
1 1 1   38   16    4 o   26.200   0.9476 -0.3387000 1.895000 
1 1 1   38   16    5 o   23.190   1.0400 -0.7677000 2.080000 
1 1 1   38   16    6 o   14.010   1.6720 -2.710000 3.343000 
1 1 1   38   16    7 o   8.6030   2.0780 3.253000 4.156000 
1 1 1   38   16    8 o   13.660   1.7090 4.126000 3.418000 
1 1 1   38   16    9 o   24.020   1.0190 -5.387000 2.038000 
1 1 1   38   16   10 o   42.550   0.6667 -0.1434000 1.333000 
1 1 1   38   16   11 o   19.290   1.2520 -1.120000 2.503000 
1 1 1   38   16   12 o   7.8890   2.1260 0.7564000 4.252000 
1 1 1   38   16   13 o   20.490   1.1550 1.797000 2.309000 
1 1 1   38   16   14 o   14.340   1.8040 -7.189000 3.607000 
1 1 1   38   16   15 o   18.510   1.3380 -1.410000 2.675000 
1 1 1   38   16   16 o   20.830   1.2400 -4.719000 2.481000 
1 1 1   38   16   17 o   8.8130   2.1530 3.051000 4.307000 
1 1 1   38   16   18 o   17.670   1.3700 0.7596000 2.741000 
1 1 1   38   16   19 o   9.1960   1.9900 6.258000 3.980000 
1 1 1   38   16   20 o   20.820   1.1660 -2.274000 2.333000 
1 1 1   38   16   21 o   6.3910   1.9430 -0.6784000 3.886000 
1 1 1   38   16   22 o   12.060   2.1320 4.525000 4.264000 
1 1 1   38   16   23 o   8.7980   2.0970 2.848000 4.194000 
1 1 1   38   16   24 o   6.3940   1.9080 2.150000 3.816000 
1 1 1   38   17    0 o   10.680   3.1530 -0.000000 0.000000 
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1 1 1   38   17    2 o   17.670   1.4570 -3.905000 2.914000 
1 1 1   38   17    3 o   16.340   1.6250 -4.011000 3.250000 
1 1 1   38   17    4 o   23.290   1.0560 -2.398000 2.112000 
1 1 1   38   17    5 o   23.040   1.0720 2.034000 2.145000 
1 1 1   38   17    6 o   23.170   1.0820 -4.333000 2.163000 
1 1 1   38   17    7 o   19.420   1.2750 -0.8328000 2.550000 
1 1 1   38   17    8 o   17.960   1.3700 1.114000 2.740000 
1 1 1   38   17    9 f   6.5810   1.9990 1.241000 3.997000 
1 1 1   38   17   10 o   9.1980   2.1750 1.427000 4.351000 
1 1 1   38   17   11 o   28.990   0.8997 -0.6682000 1.799000 
1 1 1   38   17   12 o   14.260   1.7510 2.769000 3.503000 
1 1 1   38   17   13 o   14.680   1.7190 -0.7881000 3.439000 
1 1 1   38   17   14 o   15.000   1.6940 2.110000 3.388000 
1 1 1   38   17   15 o   12.620   1.9860 4.031000 3.971000 
1 1 1   38   17   16 o   19.290   1.2870 1.675000 2.574000 
1 1 1   38   17   17 o   9.1260   2.1820 1.551000 4.364000 
1 1 1   38   17   18 f   7.7530   1.9560 -3.978000 3.912000 
1 1 1   38   17   19 o   6.0460   1.9070 0.7420000 3.815000 
1 1 1   38   17   20 o   11.390   2.0210 3.230000 4.042000 
1 1 1   38   17   21 o   7.6390   1.9860 -3.135000 3.971000 
1 1 1   38   17   22 o   7.9070   2.0700 2.976000 4.139000 
1 1 1   38   17   23 o   13.190   1.8000 0.6317000 3.601000 
1 1 1   38   18    0 o   5.7230   2.7910 -0.000000 0.000000 
1 1 1   38   18    1 o   8.3360   2.1520 3.282000 4.304000 
1 1 1   38   18    2 o   15.200   1.6930 3.447000 3.386000 
1 1 1   38   18    3 o   23.860   1.0840 -3.674000 2.168000 
1 1 1   38   18    4 o   9.4790   2.1340 4.901000 4.268000 
1 1 1   38   18    5 o   6.9690   2.0630 -0.9357000 4.126000 
1 1 1   38   18    6 o   12.680   1.8800 -10.63000 3.760000 
1 1 1   38   18    7 o   10.770   2.1280 -2.847000 4.256000 
1 1 1   38   18    8 f   11.570   2.0620 -4.005000 4.123000 
1 1 1   38   18    9 o   12.030   2.0140 -4.146000 4.027000 
1 1 1   38   18   10 o   26.740   0.9651 0.8208000 1.930000 
1 1 1   38   18   11 o   17.030   1.5030 2.151000 3.006000 
1 1 1   38   18   12 o   8.5800   2.1920 2.412000 4.383000 
1 1 1   38   18   13 o   12.140   1.9590 -6.457000 3.918000 
1 1 1   38   18   14 o   8.4760   2.1760 3.491000 4.352000 
1 1 1   38   18   15 o   12.710   1.9380 4.832000 3.876000 
1 1 1   38   18   16 o   6.9220   2.0660 0.8163000 4.131000 
1 1 1   38   18   17 o   6.7030   2.0000 2.724000 4.001000 
1 1 1   38   18   18 o   7.6430   2.0560 -1.935000 4.112000 
1 1 1   38   18   19 o   6.5250   1.9780 0.2364000 3.957000 
1 1 1   38   18   20 o   8.0430   1.9980 -3.326000 3.996000 
1 1 1   38   18   21 o   8.2860   2.0230 -2.868000 4.046000 
1 1 1   38   19    0 o   8.6860   3.0900 -0.000000 0.000000 
1 1 1   38   19    1 o   14.040   1.7570 0.1462000 3.515000 
1 1 1   38   19    2 o   13.120   2.0400 -0.9492000 4.080000 
1 1 1   38   19    3 o   10.870   2.2270 0.5428000 4.454000 
1 1 1   38   19    4 o   9.4670   2.2560 -0.4211000E-01 4.512000 
1 1 1   38   19    5 o   10.570   2.1380 5.045000 4.277000 
1 1 1   38   19    6 o   10.970   2.1780 -1.928000 4.356000 
1 1 1   38   19    7 o   13.830   1.9180 1.908000 3.835000 
1 1 1   38   19    8 o   14.640   1.8400 3.609000 3.680000 
1 1 1   38   19    9 o   18.110   1.5890 -1.259000 3.179000 
1 1 1   38   19   10 o   9.3480   2.1830 4.265000 4.367000 
1 1 1   38   19   11 o   9.9390   1.9210 -6.497000 3.842000 
1 1 1   38   19   12 o   8.4630   2.1840 -0.9725000 4.368000 
1 1 1   38   19   13 f   7.7820   2.1450 2.787000 4.290000 
1 1 1   38   19   14 o   8.8730   2.1950 2.458000 4.391000 
1 1 1   38   19   15 o   11.120   2.0930 2.508000 4.186000 
1 1 1   38   19   16 o   8.2770   2.1430 1.332000 4.285000 
1 1 1   38   19   17 o   7.6840   2.1130 1.097000 4.225000 
1 1 1   38   19   18 o   8.3050   2.0750 -2.119000 4.150000 
1 1 1   38   19   19 o   5.0200   1.6860 0.9014000E-01 3.373000 
1 1 1   38   20    0 o   13.270   2.7330 -0.000000 0.000000 
1 1 1   38   20    1 o   9.2010   2.1900 2.380000 4.380000 
1 1 1   38   20    2 o   11.650   2.0840 -1.627000 4.168000 
1 1 1   38   20    3 o   13.390   1.9470 8.015000 3.895000 
1 1 1   38   20    4 o   11.640   2.0770 -5.282000 4.154000 
1 1 1   38   20    5 o   9.1100   2.2270 -2.064000 4.453000 
1 1 1   38   20    6 o   18.710   1.4670 -1.611000 2.934000 
1 1 1   38   20    7 o   21.510   1.2850 -3.233000 2.569000 
1 1 1   38   20    8 o   12.790   2.0730 2.351000 4.146000 
1 1 1   38   20    9 o   10.130   2.1350 5.848000 4.270000 
1 1 1   38   20   10 o   12.780   2.0210 -1.734000 4.042000 
1 1 1   38   20   11 o   8.4820   2.1540 4.441000 4.308000 
1 1 1   38   20   12 o   7.6130   2.1310 -0.2260000 4.262000 
1 1 1   38   20   13 o   6.3200   1.9730 1.768000 3.946000 
1 1 1   38   20   14 o   9.9020   2.1320 4.333000 4.265000 
1 1 1   38   20   15 o   6.8110   2.0310 1.448000 4.063000 
1 1 1   38   20   16 o   6.8670   2.0060 2.498000 4.011000 
1 1 1   38   20   17 o   7.9650   1.8900 -4.414000 3.780000 
1 1 1   38   21    0 o   6.5250   2.8420 -0.000000 0.000000 
1 1 1   38   21    1 o   8.5140   2.2010 -0.3126000 4.402000 
1 1 1   38   21    2 o   7.2340   2.0960 1.087000 4.191000 
1 1 1   38   21    3 o   8.0910   2.1570 1.244000 4.314000 
1 1 1   38   21    4 o   6.3960   1.9690 1.748000 3.937000 
1 1 1   38   21    5 o   7.7400   2.2020 0.9391000 4.404000 
1 1 1   38   21    6 o   8.5940   2.2190 -1.060000 4.439000 
1 1 1   38   21    7 o   8.0160   2.0860 4.804000 4.173000 
1 1 1   38   21    8 o   8.9920   2.2000 2.767000 4.401000 
1 1 1   38   21    9 o   12.430   2.0510 1.922000 4.102000 
1 1 1   38   21   10 o   12.160   1.8890 9.049000 3.779000 
1 1 1   38   21   11 f   8.9630   2.1570 -1.388000 4.315000 
1 1 1   38   21   12 o   11.160   1.9280 -6.184000 3.855000 
1 1 1   38   21   13 o   9.1210   1.7430 9.564000 3.486000 
1 1 1   38   21   14 o   7.2320   2.0700 0.9279000 4.139000 
1 1 1   38   22    0 o   4.0350   2.0160 -0.000000 0.000000 
1 1 1   38   22    1 o   10.020   2.1630 0.3420000 4.326000 
1 1 1   38   22    2 o   11.820   1.9370 -6.365000 3.875000 
1 1 1   38   22    3 o   12.310   1.9400 -4.247000 3.880000 
1 1 1   38   22    4 o   10.740   2.0980 1.309000 4.195000 
1 1 1   38   22    5 o   10.720   2.0550 -3.108000 4.111000 
1 1 1   38   22    6 o   7.4980   2.1230 3.010000 4.246000 
1 1 1   38   22    7 o   9.2730   1.8870 8.659000 3.775000 
1 1 1   38   22    8 o   9.0090   2.0690 -3.309000 4.138000 
1 1 1   38   22    9 f   7.0750   2.0530 1.522000 4.105000 
1 1 1   38   22   10 o   9.7390   2.0990 3.531000 4.197000 
1 1 1   38   22   11 o   12.670   1.8340 7.395000 3.668000 
1 1 1   38   23    0 o   6.9870   2.8880 -0.000000 0.000000 
1 1 1   38   23    1 o   7.4460   2.0740 -1.665000 4.147000 
1 1 1   38   23    2 o   9.5360   1.9440 5.756000 3.887000 
1 1 1   38   23    3 o   7.2600   2.0510 -0.6023000 4.101000 
1 1 1   38   23    4 o   9.7240   2.0960 0.9352000 4.191000 
1 1 1   38   23    5 o   8.7790   2.0630 -3.021000 4.126000 
1 1 1   38   23    6 o   7.5010   2.2920 -0.9847000E-01 4.584000 
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1 1 1   39    0    3 o   4.3740   1.8730 -0.000000 0.000000 
1 1 1   39    0    4 o   4.9670   1.9660 -0.000000 0.000000 
1 1 1   39    0    5 o   3.3840   1.6010 -0.000000 0.000000 
1 1 1   39    0    6 o   44.970   0.7653 -0.000000 0.000000 
1 1 1   39    0    7 o   12.750   1.2490 -0.000000 0.000000 
1 1 1   39    0    8 o   40.320   0.7254 -0.000000 0.000000 
1 1 1   39    0    9 o   11.230   1.3460 -0.000000 0.000000 
1 1 1   39    0   10 o   14.540   1.0950 -0.000000 0.000000 
1 1 1   39    0   11 o   9.2680   1.6330 -0.000000 0.000000 
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1 1 1   39    0   13 o   11.590   1.3720 -0.000000 0.000000 
1 1 1   39    0   14 o   33.960   0.7240 -0.000000 0.000000 
1 1 1   39    0   15 o   40.880   0.7450 -0.000000 0.000000 
1 1 1   39    0   16 o   7.5800   2.0380 -0.000000 0.000000 
1 1 1   39    0   17 o   76.950   1.1750 -0.000000 0.000000 
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1 1 1   39    0   25 o   22.700   0.9797 -0.000000 0.000000 
1 1 1   39    0   26 o   5.4990   2.2390 -0.000000 0.000000 
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1 1 1   39    0   28 o   15.850   1.1250 -0.000000 0.000000 
1 1 1   39    0   29 o   15.640   3.6670 -0.000000 0.000000 
1 1 1   39    0   30 o   16.380   3.3880 -0.000000 0.000000 
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1 1 1   39    1    0 o   76.810   0.9475 -0.000000 0.000000 
1 1 1   39    1    1 o   63.710   0.5690 11.31000 1.138000 
1 1 1   39    1    2 o   58.270   0.5245 -1.863000 1.049000 
1 1 1   39    1    3 o   22.090   0.4320 1.307000 0.8641000 
1 1 1   39    1    4 o   61.190   0.5496 5.865000 1.099000 
1 1 1   39    1    5 o   23.370   0.4199 2.729000 0.8398000 
1 1 1   39    1    6 o   18.420   0.4846 -0.3178000 0.9692000 
1 1 1   39    1    7 o   63.270   0.5659 4.004000 1.132000 
1 1 1   39    1    8 o   18.300   0.4922 1.931000 0.9844000 
1 1 1   39    1    9 o   22.800   0.4317 -4.963000 0.8634000 
1 1 1   39    1   10 o   24.470   0.4160 1.135000 0.8320000 
1 1 1   39    1   11 o   57.870   0.5261 -0.5211000 1.052000 
1 1 1   39    1   12 o   31.180   0.4015 -4.674000 0.8030000 
1 1 1   39    1   13 o   48.750   0.4680 -4.744000 0.9360000 
1 1 1   39    1   14 o   45.790   0.4518 -1.395000 0.9037000 
1 1 1   39    1   15 o   32.940   0.4586 2.627000 0.9172000 
1 1 1   39    1   16 o   13.520   0.7568 -4.970000 1.514000 
1 1 1   39    1   17 o   27.280   0.4853 -0.1385000 0.9706000 
1 1 1   39    1   18 o   28.360   0.4841 -3.243000 0.9683000 
1 1 1   39    1   19 o   30.970   0.4778 -2.680000 0.9557000 
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1 1 1   39    1   21 o   27.250   0.5804 -0.8934000 1.161000 
1 1 1   39    1   22 o   20.160   0.7254 2.390000 1.451000 
1 1 1   39    1   23 o   13.960   1.0180 1.041000 2.036000 
1 1 1   39    1   24 o   20.470   0.7349 -2.132000 1.470000 
1 1 1   39    1   25 o   21.090   0.7390 0.9452000 1.478000 
1 1 1   39    1   26 o   5.2980   1.5590 0.3842000 3.118000 
1 1 1   39    1   27 o   33.350   0.5930 -0.4308000 1.186000 
1 1 1   39    1   28 o   25.610   0.5603 -0.3408000 1.121000 
1 1 1   39    1   29 o   8.5350   2.2870 2.859000 4.575000 
1 1 1   39    1   30 o   11.830   2.2490 -10.95000 4.499000 
1 1 1   39    1   31 o   23.490   1.5620 -3.571000 3.124000 
1 1 1   39    1   32 o   9.9270   2.4990 -4.832000 4.998000 
1 1 1   39    1   33 o   9.7350   2.5640 -2.909000 5.127000 
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1 1 1   39    2    1 f   82.800   0.8797 -2.793000 1.759000 
1 1 1   39    2    2 o   60.810   0.6663 0.8716000 1.333000 
1 1 1   39    2    3 o   10.310   0.9813 1.275000 1.963000 
1 1 1   39    2    4 o   53.270   0.6010 1.929000 1.202000 
1 1 1   39    2    5 o   11.970   1.2040      ?      ? 
1 1 1   39    2    6 o   10.720   0.9790 3.003000 1.958000 
1 1 1   39    2    7 o   40.110   0.5066 -2.970000 1.013000 
1 1 1   39    2    8 o   25.500   0.4995 -1.584000 0.9990000 
1 1 1   39    2    9 o   27.390   0.4985 3.505000 0.9971000 
1 1 1   39    2   10 o   65.790   0.7174 0.2197000 1.435000 
1 1 1   39    2   11 o   58.340   0.6504 -3.354000 1.301000 
1 1 1   39    2   12 o   47.510   0.5647 -0.7998000 1.129000 
1 1 1   39    2   13 o   21.750   0.5733 -8.337000 1.147000 
1 1 1   39    2   14 f   11.560   0.9850 -3.422000 1.970000 
1 1 1   39    2   15 o   16.180   0.6666 -1.150000 1.333000 
1 1 1   39    2   16 o   16.220   0.6940 2.348000 1.388000 
1 1 1   39    2   17 o   14.140   0.7837 -0.4415000 1.567000 
1 1 1   39    2   18 o   27.440   0.5143 2.482000 1.029000 
1 1 1   39    2   19 o   22.510   0.6185 2.873000 1.237000 
1 1 1   39    2   20 o   58.590   0.6111 0.8899000 1.222000 
1 1 1   39    2   21 o   16.450   0.7359 -2.634000 1.472000 
1 1 1   39    2   22 o   17.480   0.7826 2.129000 1.565000 
1 1 1   39    2   23 o   11.300   1.1740 -4.899000 2.347000 
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1 1 1   39    2   25 o   14.560   0.9585 0.2372000 1.917000 
1 1 1   39    2   26 o   19.630   0.7124 -0.6227000 1.425000 
1 1 1   39    2   27 o   5.5310   1.5380 -3.866000 3.076000 
1 1 1   39    2   28 o   7.4540   1.5020 -5.714000 3.003000 
1 1 1   39    2   29 o   23.750   1.3300 3.857000 2.661000 
1 1 1   39    2   30 o   11.990   2.0550 -5.498000 4.110000 
1 1 1   39    2   31 o   9.5170   1.9830 -3.374000 3.966000 
1 1 1   39    2   32 o   18.170   1.9860 1.882000 3.972000 
1 1 1   39    2   33 o   13.860   2.3910 1.109000 4.782000 
1 1 1   39    3    0 o   25.790   0.7138 -0.000000 0.000000 
1 1 1   39    3    1 o   59.640   0.6626 8.865000 1.325000 
1 1 1   39    3    2 o   18.640   0.6014 3.043000 1.203000 
1 1 1   39    3    3 o   42.310   0.5217 0.5873000 1.043000 
1 1 1   39    3    4 o   45.280   0.5396 -1.024000 1.079000 
1 1 1   39    3    5 o   46.090   0.7715      ?      ? 
1 1 1   39    3    6 o   8.2390   1.2720 0.2029000 2.544000 
1 1 1   39    3    7 o   12.870   0.8539 -5.693000 1.708000 
1 1 1   39    3    8 o   28.740   0.4978 -3.672000 0.9956000 
1 1 1   39    3    9 o   58.620   0.6533 -5.191000 1.307000 
1 1 1   39    3   10 o   63.060   0.6951 -5.959000 1.390000 
1 1 1   39    3   11 o   58.040   0.6500 1.977000 1.300000 
1 1 1   39    3   12 o   25.260   0.5294 -1.752000 1.059000 
1 1 1   39    3   13 o   30.390   0.5048 -0.6194000 1.010000 
1 1 1   39    3   14 o   43.440   0.5471 3.304000 1.094000 
1 1 1   39    3   15 o   25.300   0.5528 -2.115000 1.106000 
1 1 1   39    3   16 o   36.140   0.5239 0.7752000 1.048000 
1 1 1   39    3   17 o   34.260   0.5327 0.1249000 1.065000 
1 1 1   39    3   18 o   65.560   0.7297 -5.221000 1.459000 
1 1 1   39    3   19 f   24.830   0.8936      ?      ? 
1 1 1   39    3   20 o   18.770   0.7634 2.870000 1.527000 
1 1 1   39    3   21 o   20.900   0.7202 0.1011000 1.440000 
1 1 1   39    3   22 o   15.500   0.9110 0.8153000 1.822000 
1 1 1   39    3   23 o   21.170   0.6933 -2.111000 1.387000 
1 1 1   39    3   24 o   6.0320   1.6600 -3.184000 3.320000 
1 1 1   39    3   25 o   22.920   0.6659 -0.8017000 1.332000 
1 1 1   39    3   26 o   14.640   1.0110 -0.5379000 2.021000 
1 1 1   39    3   27 o   23.350   0.6800 -2.194000 1.360000 
1 1 1   39    3   28 o   45.500   0.6838 1.219000 1.368000 
1 1 1   39    3   29 o   13.650   1.2580 3.069000 2.515000 
1 1 1   39    3   30 f   27.540   0.6976 -0.3156000 1.395000 
1 1 1   39    3   31 o   18.380   0.8826 0.9857000 1.765000 
1 1 1   39    3   32 o   15.560   0.9764 0.4328000 1.953000 
1 1 1   39    3   33 o   8.9700   1.4100 4.131000 2.819000 
1 1 1   39    4    0 o   13.070   1.2170 -0.000000 0.000000 
1 1 1   39    4    1 o   34.290   0.5056 4.896000 1.011000 
1 1 1   39    4    2 o   46.100   0.7839      ?      ? 
1 1 1   39    4    3 o   6.7800   1.4340 -2.146000 2.867000 
1 1 1   39    4    4 o   57.360   0.6419 4.189000 1.284000 
1 1 1   39    4    5 o   58.800   0.6534 3.964000 1.307000 
1 1 1   39    4    6 o   40.100   0.5197 1.790000 1.039000 
1 1 1   39    4    7 o   51.270   0.5937 2.745000 1.187000 
1 1 1   39    4    8 o   30.660   0.5171 -1.059000 1.034000 
1 1 1   39    4    9 f   12.660   0.9785 2.475000 1.957000 
1 1 1   39    4   10 o   38.460   0.5243 -5.428000 1.049000 
1 1 1   39    4   11 o   19.200   0.6498 2.267000 1.300000 
1 1 1   39    4   12 o   19.620   0.6484 -1.186000 1.297000 
1 1 1   39    4   13 o   25.710   0.5668 3.501000 1.134000 
1 1 1   39    4   14 o   8.0230   1.1560 -8.626000 2.312000 
1 1 1   39    4   15 o   35.290   0.5349 3.499000 1.070000 
1 1 1   39    4   16 o   11.920   1.1200 -4.133000 2.240000 
1 1 1   39    4   17 o   52.250   0.6228 -0.7130000 1.246000 
1 1 1   39    4   18 o   22.070   0.6720 1.725000 1.344000 
1 1 1   39    4   19 o   43.480   0.5825 -3.160000 1.165000 
1 1 1   39    4   20 o   16.340   0.9544 2.582000 1.909000 
1 1 1   39    4   21 f   22.500   0.7437 -2.381000 1.487000 
1 1 1   39    4   22 o   8.1060   1.6750 -2.232000 3.351000 
1 1 1   39    4   23 o   36.290   0.5734 0.1916000 1.147000 
1 1 1   39    4   24 o   35.460   0.5929 2.398000 1.186000 
1 1 1   39    4   25 o   14.780   1.3400 0.8400000 2.680000 
1 1 1   39    4   26 o   13.250   1.4500 4.950000 2.900000 
1 1 1   39    4   27 o   19.910   0.9047 -0.3319000 1.809000 
1 1 1   39    4   28 o   11.690   1.4820 -0.1499000 2.964000 
1 1 1   39    4   29 o   13.860   1.2220 -0.3661000 2.443000 
1 1 1   39    4   30 o   5.5160   1.4400 1.669000 2.881000 
1 1 1   39    4   31 o   7.5820   1.6290 -1.324000 3.257000 
1 1 1   39    4   32 o   5.5040   1.6720 0.5507000 3.344000 
1 1 1   39    4   33 f   14.020   1.3190 1.917000 2.639000 
1 1 1   39    5    0 o   35.130   0.7401 -0.000000 0.000000 
1 1 1   39    5    1 o   39.310   0.5365 5.473000 1.073000 
1 1 1   39    5    2 o   22.960   0.5920 1.629000 1.184000 
1 1 1   39    5    3 o   37.600   0.5300 7.116000 1.060000 
1 1 1   39    5    4 o   25.520   0.5371 -1.439000 1.074000 
1 1 1   39    5    5 o   6.6600   1.4790 2.466000 2.959000 
1 1 1   39    5    6 o   21.790   0.5901 -0.3983000 1.180000 
1 1 1   39    5    7 o   18.890   0.6620 0.8705000 1.324000 
1 1 1   39    5    8 o   54.180   0.6226 0.1674000 1.245000 
1 1 1   39    5    9 o   15.800   0.7989 -0.7471000 1.598000 
1 1 1   39    5   10 o   19.830   0.6822 2.015000 1.364000 
1 1 1   39    5   11 o   27.420   0.5670 0.3026000 1.134000 
1 1 1   39    5   12 o   29.790   0.5500 -1.604000 1.100000 
1 1 1   39    5   13 o   35.400   0.5449 3.662000 1.090000 
1 1 1   39    5   14 o   51.760   0.6149 -2.503000 1.230000 
1 1 1   39    5   15 o   36.920   0.5655 1.840000 1.131000 
1 1 1   39    5   16 o   48.210   0.6027 -2.568000 1.205000 
1 1 1   39    5   17 o   23.930   0.6664 0.7263000E-01 1.333000 
1 1 1   39    5   18 o   43.080   0.5958 -2.244000 1.192000 
1 1 1   39    5   19 o   56.120   0.6702 -2.080000 1.340000 
1 1 1   39    5   20 o   24.450   0.7358 1.892000 1.472000 
1 1 1   39    5   21 o   40.620   0.5641 -1.452000 1.128000 
1 1 1   39    5   22 o   7.9430   1.6010 3.608000 3.202000 
1 1 1   39    5   23 o   19.540   0.9223 4.429000 1.845000 
1 1 1   39    5   24 o   44.770   0.5914 -0.2807000 1.183000 
1 1 1   39    5   25 o   27.720   0.7034 1.033000 1.407000 
1 1 1   39    5   26 o   27.020   0.7347 -0.1301000 1.469000 
1 1 1   39    5   27 o   20.310   0.9583 2.569000 1.917000 
1 1 1   39    5   28 o   19.760   1.0110 1.819000 2.023000 
1 1 1   39    5   29 o   12.350   1.5080 -0.7234000 3.016000 
1 1 1   39    5   30 o   8.9130   1.6690 2.946000 3.337000 
1 1 1   39    5   31 o   19.760   0.9011 0.9338000 1.802000 
1 1 1   39    5   32 o   12.170   0.9775      ?      ? 
1 1 1   39    6    0 o   13.410   1.3890 -0.000000 0.000000 
1 1 1   39    6    1 o   15.030   0.8762 -0.5247000 1.752000 
1 1 1   39    6    2 o   32.050   0.5371 -2.377000 1.074000 
1 1 1   39    6    3 o   46.430   0.5783 -1.262000 1.157000 
1 1 1   39    6    4 o   14.380   0.9227 0.4294000 1.845000 
1 1 1   39    6    5 o   43.380   0.5602 4.820000 1.120000 
1 1 1   39    6    6 o   21.050   0.6713 -4.163000 1.343000 
1 1 1   39    6    7 o   51.290   0.6095 1.462000 1.219000 
1 1 1   39    6    8 o   65.680   0.7296 1.457000 1.459000 
1 1 1   39    6    9 f   25.560   0.6070 -0.7195000 1.214000 
1 1 1   39    6   10 o   29.380   0.5797 -3.216000 1.159000 
1 1 1   39    6   11 o   12.600   1.1550 2.502000 2.311000 
1 1 1   39    6   12 o   32.460   0.5672 2.176000 1.134000 
1 1 1   39    6   13 o   40.670   0.5799 -1.888000 1.160000 
1 1 1   39    6   14 o   12.680   1.1920 3.280000 2.384000 
1 1 1   39    6   15 o   15.080   0.9784 -1.288000 1.957000 
1 1 1   39    6   16 o   8.9620   1.5550 5.047000 3.109000 
1 1 1   39    6   17 o   65.560   0.6827 -4.616000 1.365000 
1 1 1   39    6   18 o   11.710   1.3830 4.883000 2.767000 
1 1 1   39    6   19 o   56.600   0.6219 -1.772000 1.244000 
1 1 1   39    6   20 o   28.080   0.6626 4.367000 1.325000 
1 1 1   39    6   21 o   20.420   0.8861 2.235000 1.772000 
1 1 1   39    6   22 o   32.020   0.6258 -0.3159000 1.252000 
1 1 1   39    6   23 o   27.640   0.8378      ?      ? 
1 1 1   39    6   24 o   14.640   1.2950 0.2808000 2.590000 
1 1 1   39    6   25 o   14.100   1.5800 2.080000 3.161000 
1 1 1   39    6   26 o   14.780   1.3430 0.8547000 2.686000 
1 1 1   39    6   27 o   12.850   1.5550 1.430000 3.111000 
1 1 1   39    6   28 o   21.240   0.9531 1.641000 1.906000 
1 1 1   39    6   29 o   6.4240   1.8510 -1.955000 3.701000 
1 1 1   39    6   30 o   7.2800   1.8740 -0.8679000 3.748000 
1 1 1   39    6   31 o   9.3360   1.7570 2.036000 3.514000 
1 1 1   39    6   32 o   11.620   1.4160 -2.688000 2.832000 
1 1 1   39    7    0 o   40.820   0.8101 -0.000000 0.000000 
1 1 1   39    7    1 o   9.4120   1.4810 3.281000 2.961000 
1 1 1   39    7    2 o   32.270   0.5722 -5.309000 1.144000 
1 1 1   39    7    3 o   25.390   0.6343 -2.314000 1.269000 
1 1 1   39    7    4 o   46.740   0.5901 -6.242000 1.180000 
1 1 1   39    7    5 o   36.470   0.5577 2.367000 1.115000 
1 1 1   39    7    6 o   7.6640   1.6330 1.946000 3.266000 
1 1 1   39    7    7 o   12.670   1.1910 -4.712000 2.383000 
1 1 1   39    7    8 o   14.570   0.9804 0.6246000 1.961000 
1 1 1   39    7    9 o   37.040   0.5691 -3.183000 1.138000 
1 1 1   39    7   10 o   43.190   0.5932 -3.315000 1.186000 
1 1 1   39    7   11 o   68.640   0.7648 -1.780000 1.530000 
1 1 1   39    7   12 o   47.830   0.6130 3.135000 1.226000 
1 1 1   39    7   13 o   17.830   0.8850 -1.698000 1.770000 
1 1 1   39    7   14 o   34.560   0.6090 0.6774000 1.218000 
1 1 1   39    7   15 o   13.840   1.1100 1.845000 2.219000 
1 1 1   39    7   16 o   31.890   0.5865 -4.533000 1.173000 
1 1 1   39    7   17 o   11.240   1.4500 -4.735000 2.900000 
1 1 1   39    7   18 f   42.700   0.7243      ?      ? 
1 1 1   39    7   19 o   18.940   0.8974 -0.5715000 1.795000 
1 1 1   39    7   20 o   24.090   0.8022 5.261000 1.604000 
1 1 1   39    7   21 o   19.520   0.9801 2.697000 1.960000 
1 1 1   39    7   22 o   24.120   0.8027 -3.378000 1.605000 
1 1 1   39    7   23 o   18.640   1.1150 5.036000 2.231000 
1 1 1   39    7   24 o   22.020   0.9039 -1.674000 1.808000 
1 1 1   39    7   25 o   27.590   0.7734 -0.8507000 1.547000 
1 1 1   39    7   26 o   43.810   0.6385 -0.1823000 1.277000 
1 1 1   39    7   27 o   24.740   0.8412 -5.320000 1.682000 
1 1 1   39    7   28 o   6.5060   1.8080 1.392000 3.616000 
1 1 1   39    7   29 o   23.630   0.9159 1.773000 1.832000 
1 1 1   39    7   30 o   12.830   1.5710 0.4872000 3.142000 
1 1 1   39    7   31 o   4.7300   1.5680 -1.292000 3.136000 
1 1 1   39    7   32 o   7.5570   1.8300 2.286000 3.660000 
1 1 1   39    8    0 o   29.670   0.8560 -0.000000 0.000000 
1 1 1   39    8    1 o   41.350   0.5921 0.9114000E-01 1.184000 
1 1 1   39    8    2 o   46.700   0.6071 3.151000 1.214000 
1 1 1   39    8    3 o   59.080   0.6892 -0.6796000 1.378000 
1 1 1   39    8    4 o   21.760   0.7840 -8.026000 1.568000 
1 1 1   39    8    5 o   48.510   0.6206 -2.287000 1.241000 
1 1 1   39    8    6 o   31.920   0.6082 -2.821000 1.216000 
1 1 1   39    8    7 o   6.8520   1.6760 2.734000 3.351000 
1 1 1   39    8    8 o   13.860   1.1300 -2.694000 2.261000 
1 1 1   39    8    9 o   7.1500   1.7070 -0.5024000 3.415000 
1 1 1   39    8   10 o   54.370   0.6612 -1.148000 1.322000 
1 1 1   39    8   11 o   33.330   0.6047 -0.6708000 1.209000 
1 1 1   39    8   12 o   22.890   0.7215 6.239000 1.443000 
1 1 1   39    8   13 o   21.190   0.7498 0.1887000 1.500000 
1 1 1   39    8   14 o   30.530   0.6097 -2.583000 1.219000 
1 1 1   39    8   15 o   30.650   0.6110 -1.052000 1.222000 
1 1 1   39    8   16 o   28.930   0.6602 5.740000 1.320000 
1 1 1   39    8   17 o   28.160   0.6763 2.111000 1.353000 
1 1 1   39    8   18 o   14.640   1.2690 3.318000 2.537000 
1 1 1   39    8   19 o   30.380   0.6719 0.5286000 1.344000 
1 1 1   39    8   20 o   25.590   0.7830 1.191000 1.566000 
1 1 1   39    8   21 o   13.780   1.4080 -2.445000 2.816000 
1 1 1   39    8   22 o   23.410   0.9088 1.783000 1.818000 
1 1 1   39    8   23 o   7.7670   1.9910 -1.788000 3.983000 
1 1 1   39    8   24 o   19.410   1.1430 2.759000 2.286000 
1 1 1   39    8   25 o   33.610   0.7266 -0.6682000 1.453000 
1 1 1   39    8   26 o   12.100   1.7890 -0.1069000 3.579000 
1 1 1   39    8   27 o   7.3720   1.9810 -2.892000 3.961000 
1 1 1   39    8   28 o   29.600   0.7591 -1.357000 1.518000 
1 1 1   39    8   29 o   7.4490   1.9890 -2.094000 3.977000 
1 1 1   39    8   30 o   7.7190   1.9580 -2.446000 3.915000 
1 1 1   39    8   31 o   10.470   1.7430 -2.960000 3.486000 
1 1 1   39    9    0 o   31.780   0.9018 -0.000000 0.000000 
1 1 1   39    9    1 o   43.230   0.6167 6.033000 1.233000 
1 1 1   39    9    2 o   46.060   0.6264 1.490000 1.253000 
1 1 1   39    9    3 o   16.520   1.0380 -1.120000 2.076000 
1 1 1   39    9    4 o   21.290   0.8258 2.280000 1.652000 
1 1 1   39    9    5 o   9.4690   1.6580 -3.275000 3.316000 
1 1 1   39    9    6 o   47.760   0.6322 0.5795000 1.264000 
1 1 1   39    9    7 o   26.260   0.7134 -1.695000 1.427000 
1 1 1   39    9    8 o   7.0830   1.8000 -1.437000 3.601000 
1 1 1   39    9    9 o   21.350   0.7586 0.1931000 1.517000 
1 1 1   39    9   10 o   20.680   0.7848 -2.337000 1.570000 
1 1 1   39    9   11 o   14.040   1.1460 -2.005000 2.293000 
1 1 1   39    9   12 o   38.350   0.5860 0.8275000 1.172000 
1 1 1   39    9   13 o   41.730   0.5848 1.772000 1.170000 
1 1 1   39    9   14 o   36.380   0.6034 -2.007000 1.207000 
1 1 1   39    9   15 o   41.610   0.6017 1.349000 1.203000 
1 1 1   39    9   16 o   41.220   0.6142 1.264000 1.228000 
1 1 1   39    9   17 o   28.890   0.7002 -1.490000 1.400000 
1 1 1   39    9   18 o   43.530   0.6271 -0.6994000 1.254000 
1 1 1   39    9   19 o   19.190   1.1590 6.687000 2.319000 
1 1 1   39    9   20 o   21.940   0.9461 -5.457000 1.892000 
1 1 1   39    9   21 o   22.410   0.9662 0.3159000 1.932000 
1 1 1   39    9   22 f   51.070   0.6644 -1.050000 1.329000 
1 1 1   39    9   23 o   23.600   0.9730 0.8371000 1.946000 
1 1 1   39    9   24 o   33.360   0.7487 1.618000 1.497000 
1 1 1   39    9   25 o   10.180   1.7980 6.329000 3.596000 
1 1 1   39    9   26 o   11.990   1.8150 -4.380000 3.630000 
1 1 1   39    9   27 o   20.130   1.0960 -0.3043000E-01 2.191000 
1 1 1   39    9   28 f   6.2120   1.8910 -1.795000 3.783000 
1 1 1   39    9   29 o   11.530   1.7710 4.550000 3.542000 
1 1 1   39    9   30 o   9.5810   1.8770 -4.723000 3.753000 
1 1 1   39    9   31 o   5.7410   2.7030      ?      ? 
1 1 1   39   10    0 o   41.600   0.8926 -0.000000 0.000000 
1 1 1   39   10    1 o   34.690   0.6495 3.053000 1.299000 
1 1 1   39   10    2 o   13.920   1.3420 4.602000 2.684000 
1 1 1   39   10    3 o   29.990   0.6831 0.9609000 1.366000 
1 1 1   39   10    4 o   5.2720   1.6360 1.266000 3.273000 
1 1 1   39   10    5 o   18.210   0.8908 -1.507000 1.782000 
1 1 1   39   10    6 o   6.0440   1.7080 -1.825000 3.416000 
1 1 1   39   10    7 o   9.1130   2.3940      ?      ? 
1 1 1   39   10    8 o   14.370   1.2110 2.237000 2.421000 
1 1 1   39   10    9 f   6.4860   1.7720 -2.123000 3.544000 
1 1 1   39   10   10 o   36.280   0.6064 1.011000 1.213000 
1 1 1   39   10   11 o   24.980   0.7437 -1.864000 1.487000 
1 1 1   39   10   12 f   23.100   0.8241 3.590000 1.648000 
1 1 1   39   10   13 o   18.790   1.0040 2.615000 2.008000 
1 1 1   39   10   14 o   32.410   0.6725 0.5184000 1.345000 
1 1 1   39   10   15 o   53.560   0.6456 1.461000 1.291000 
1 1 1   39   10   16 o   25.080   0.9146 8.440000 1.829000 
1 1 1   39   10   17 o   8.6710   1.9300 2.827000 3.861000 
1 1 1   39   10   18 o   26.210   0.8345 2.957000 1.669000 
1 1 1   39   10   19 o   15.520   1.4780 4.685000 2.956000 
1 1 1   39   10   20 o   8.4960   1.9790 2.850000 3.958000 
1 1 1   39   10   21 o   8.5160   2.0520 1.030000 4.104000 
1 1 1   39   10   22 o   5.5720   1.7950 0.4341000 3.590000 
1 1 1   39   10   23 o   9.9680   1.9900 4.748000 3.980000 
1 1 1   39   10   24 o   7.4860   2.0210 2.037000 4.042000 
1 1 1   39   10   25 o   16.320   1.4440 -2.285000 2.888000 
1 1 1   39   10   26 o   7.6200   1.9870 -4.518000 3.973000 
1 1 1   39   10   27 o   10.600   1.9700 -5.587000 3.940000 
1 1 1   39   10   28 o   9.0170   2.0630 0.5872000 4.126000 
1 1 1   39   10   29 o   8.6690   1.9670 -4.768000 3.934000 
1 1 1   39   10   30 o   7.3640   1.9620 -3.100000 3.924000 
1 1 1   39   11    0 o   22.240   1.2480 -0.000000 0.000000 
1 1 1   39   11    1 o   21.790   0.8316 -0.9829000 1.663000 
1 1 1   39   11    2 o   50.370   0.6165 3.051000 1.233000 
1 1 1   39   11    3 o   30.730   0.6669 -3.817000 1.334000 
1 1 1   39   11    4 o   12.200   1.5270 2.638000 3.053000 
1 1 1   39   11    5 o   12.370   1.5130 -5.721000 3.027000 
1 1 1   39   11    6 o   19.400   1.0020 3.867000 2.004000 
1 1 1   39   11    7 o   45.720   0.6128 2.544000 1.226000 
1 1 1   39   11    8 o   49.510   0.6246 -1.907000 1.249000 
1 1 1   39   11    9 o   20.630   0.9186 1.152000 1.837000 
1 1 1   39   11   10 o   36.580   0.6414 0.6981000 1.283000 
1 1 1   39   11   11 o   14.220   1.3760 1.425000 2.752000 
1 1 1   39   11   12 o   20.840   1.1210 3.215000 2.243000 
1 1 1   39   11   13 o   51.860   0.6455 -0.9246000 1.291000 
1 1 1   39   11   14 o   26.260   0.8215 1.035000 1.643000 
1 1 1   39   11   15 o   42.300   0.6602 1.172000 1.320000 
1 1 1   39   11   16 o   28.810   0.8054 3.732000 1.611000 
1 1 1   39   11   17 o   15.300   1.5030 4.406000 3.006000 
1 1 1   39   11   18 o   9.1170   2.0700 -0.5711000 4.141000 
1 1 1   39   11   19 o   11.310   1.9790 1.554000 3.957000 
1 1 1   39   11   20 o   29.560   0.8649 -0.7693000E-01 1.730000 
1 1 1   39   11   21 o   7.1980   2.0870 -2.748000 4.175000 
1 1 1   39   11   22 f   8.3760   1.9210 -7.285000 3.841000 
1 1 1   39   11   23 o   11.250   1.9870 5.197000 3.973000 
1 1 1   39   11   24 o   10.230   2.1420 0.3774000 4.284000 
1 1 1   39   11   25 o   13.950   1.7440 0.3552000 3.488000 
1 1 1   39   11   26 o   7.3720   2.1730 -0.6283000 4.346000 
1 1 1   39   11   27 o   8.5530   2.0080 3.550000 4.017000 
1 1 1   39   11   28 f   8.0540   2.0570 -3.590000 4.113000 
1 1 1   39   11   29 o   11.270   1.7390 7.733000 3.477000 
1 1 1   39   12    0 o   36.050   0.8576 -0.000000 0.000000 
1 1 1   39   12    1 f   31.880   0.6329 -0.7028000 1.266000 
1 1 1   39   12    2 o   42.460   0.5729 -3.433000 1.146000 
1 1 1   39   12    3 f   32.550   0.6351 -1.474000 1.270000 
1 1 1   39   12    4 o   15.590   1.1470 -0.5438000 2.293000 
1 1 1   39   12    5 o   49.070   0.6399 3.219000 1.280000 
1 1 1   39   12    6 o   22.560   0.9282 0.7476000 1.856000 
1 1 1   39   12    7 f   37.700   0.6443 2.455000 1.289000 
1 1 1   39   12    8 o   46.800   0.6408 2.936000 1.282000 
1 1 1   39   12    9 o   23.000   0.8818 -1.255000 1.764000 
1 1 1   39   12   10 o   23.760   0.8809 -0.9412000 1.762000 
1 1 1   39   12   11 o   26.180   0.8376 1.648000 1.675000 
1 1 1   39   12   12 o   10.830   1.9000 0.6197000 3.799000 
1 1 1   39   12   13 o   19.430   1.1310 0.1972000 2.262000 
1 1 1   39   12   14 o   14.500   1.5750 3.186000 3.150000 
1 1 1   39   12   15 o   8.6790   2.0620 -2.564000 4.123000 
1 1 1   39   12   16 o   7.9850   2.0800 -0.3208000 4.160000 
1 1 1   39   12   17 o   15.480   1.5970 2.921000 3.193000 
1 1 1   39   12   18 o   20.520   1.1810 -2.605000 2.362000 
1 1 1   39   12   19 o   27.990   0.9220 1.980000 1.844000 
1 1 1   39   12   20 o   25.570   1.0630 6.076000 2.126000 
1 1 1   39   12   21 o   19.690   1.3110 2.653000 2.621000 
1 1 1   39   12   22 o   17.360   1.4940 -1.468000 2.987000 
1 1 1   39   12   23 o   8.7510   2.0480 4.376000 4.096000 
1 1 1   39   12   24 o   11.160   2.0040 5.518000 4.009000 
1 1 1   39   12   25 o   12.890   1.9710 0.2150000 3.941000 
1 1 1   39   12   26 o   8.6060   2.1590 -4.449000 4.318000 
1 1 1   39   12   27 o   9.6790   2.1470 -0.9492000 4.294000 
1 1 1   39   12   28 o   11.320   1.9290 4.113000 3.859000 
1 1 1   39   13    0 o   41.180   0.8447 -0.000000 0.000000 
1 1 1   39   13    1 o   9.7970   1.7870 3.955000 3.575000 
1 1 1   39   13    2 f   15.790   1.2280 2.381000 2.456000 
1 1 1   39   13    3 o   36.390   0.6331 -0.4520000 1.266000 
1 1 1   39   13    4 o   7.4810   1.8990 1.799000 3.797000 
1 1 1   39   13    5 o   18.620   1.0460 2.018000 2.093000 
1 1 1   39   13    6 o   14.530   1.4280 -4.800000 2.856000 
1 1 1   39   13    7 o   25.120   0.7992 0.2179000 1.598000 
1 1 1   39   13    8 o   46.130   0.6051 -2.105000 1.210000 
1 1 1   39   13    9 o   28.950   0.7442 2.391000 1.488000 
1 1 1   39   13   10 o   34.320   0.6694 -0.6600000 1.339000 
1 1 1   39   13   11 o   20.620   1.0870 -0.8030000 2.174000 
1 1 1   39   13   12 o   35.890   0.7409 -1.993000 1.482000 
1 1 1   39   13   13 o   16.360   1.4260 -0.6185000 2.852000 
1 1 1   39   13   14 o   23.650   1.0400 -3.645000 2.080000 
1 1 1   39   13   15 o   25.120   0.9822 2.692000 1.964000 
1 1 1   39   13   16 o   27.650   0.9158 -1.521000 1.832000 
1 1 1   39   13   17 o   29.900   0.8808 0.1012000E-01 1.762000 
1 1 1   39   13   18 o   19.880   1.2910 1.956000 2.581000 
1 1 1   39   13   19 o   22.720   1.1600 -0.9906000 2.320000 
1 1 1   39   13   20 o   22.920   1.2130 1.509000 2.427000 
1 1 1   39   13   21 o   12.710   2.0130 -5.957000 4.026000 
1 1 1   39   13   22 o   17.660   1.5290 -3.121000 3.059000 
1 1 1   39   13   23 o   15.400   1.7970 1.858000 3.594000 
1 1 1   39   13   24 o   17.900   1.4460 -1.823000 2.891000 
1 1 1   39   13   25 o   7.7320   2.1060 -4.382000 4.212000 
1 1 1   39   13   26 o   8.9170   2.1550 -1.947000 4.310000 
1 1 1   39   13   27 o   12.290   1.9580 -0.9156000 3.915000 
1 1 1   39   14    0 o   18.510   1.5800 -0.000000 0.000000 
1 1 1   39   14    1 o   9.7910   1.9170 2.554000 3.835000 
1 1 1   39   14    2 o   21.530   1.1930 2.366000 2.387000 
1 1 1   39   14    3 o   37.450   0.6508 1.337000 1.302000 
1 1 1   39   14    4 o   21.800   0.9527 0.7397000 1.905000 
1 1 1   39   14    5 o   20.480   1.0310 -0.6513000 2.061000 
1 1 1   39   14    6 o   12.940   1.6550 -0.1185000 3.310000 
1 1 1   39   14    7 o   9.3040   2.0340 -1.397000 4.068000 
1 1 1   39   14    8 o   28.970   0.7901 -0.1846000 1.580000 
1 1 1   39   14    9 f   8.8820   2.0730 -0.5762000 4.145000 
1 1 1   39   14   10 o   13.430   1.7000 0.5665000 3.399000 
1 1 1   39   14   11 o   13.540   1.6870 0.9380000 3.374000 
1 1 1   39   14   12 o   18.690   1.2430 1.397000 2.485000 
1 1 1   39   14   13 o   32.660   0.7816 -0.6660000 1.563000 
1 1 1   39   14   14 o   9.6850   2.1370 0.8035000 4.274000 
1 1 1   39   14   15 o   7.8740   2.1340 -0.1927000 4.267000 
1 1 1   39   14   16 o   19.260   1.3300 6.728000 2.660000 
1 1 1   39   14   17 o   16.810   1.4570 1.030000 2.913000 
1 1 1   39   14   18 o   14.650   1.6260 1.477000 3.252000 
1 1 1   39   14   19 o   6.2940   1.8940 3.839000 3.789000 
1 1 1   39   14   20 o   10.610   2.0620 2.107000 4.124000 
1 1 1   39   14   21 o   14.130   1.6880 3.858000 3.375000 
1 1 1   39   14   22 o   10.060   2.0690 -1.116000 4.138000 
1 1 1   39   14   23 o   15.490   1.4960 4.934000 2.993000 
1 1 1   39   14   24 o   21.400   1.0450 0.3856000 2.091000 
1 1 1   39   14   25 o   13.100   1.6770 5.512000 3.354000 
1 1 1   39   14   26 o   7.2080   1.9290 -1.866000 3.857000 
1 1 1   39   15    0 o   10.340   2.8340 -0.000000 0.000000 
1 1 1   39   15    1 o   17.120   1.2840 -0.2948000 2.568000 
1 1 1   39   15    2 f   24.010   0.9430 -0.2403000 1.886000 
1 1 1   39   15    3 o   16.430   1.3600 -3.390000 2.721000 
1 1 1   39   15    4 o   22.780   1.0230 -3.719000 2.047000 
1 1 1   39   15    5 o   18.290   1.2660 -4.062000 2.533000 
1 1 1   39   15    6 o   24.570   0.9511 -0.4058000 1.902000 
1 1 1   39   15    7 o   16.300   1.4230 -0.2131000 2.846000 
1 1 1   39   15    8 o   14.670   1.6080 0.9434000E-01 3.215000 
1 1 1   39   15    9 o   26.650   0.9183 -2.629000 1.837000 
1 1 1   39   15   10 o   28.690   0.8617 -3.167000 1.723000 
1 1 1   39   15   11 o   50.370   0.6666 0.5777000 1.333000 
1 1 1   39   15   12 o   20.230   1.1950 -3.948000 2.390000 
1 1 1   39   15   13 o   19.950   1.1660 -2.659000 2.333000 
1 1 1   39   15   14 f   7.1550   2.0190 2.734000 4.037000 
1 1 1   39   15   15 o   18.410   1.2870 2.056000 2.574000 
1 1 1   39   15   16 o   21.660   1.1240 -3.171000 2.248000 
1 1 1   39   15   17 o   11.770   1.9790 3.002000 3.958000 
1 1 1   39   15   18 o   6.9960   2.0450 1.086000 4.089000 
1 1 1   39   15   19 o   15.240   1.5980 3.799000 3.195000 
1 1 1   39   15   20 o   8.1960   2.0420 -2.778000 4.085000 
1 1 1   39   15   21 o   5.9730   1.8860 0.5572000 3.772000 
1 1 1   39   15   22 o   8.1140   1.9380 -4.410000 3.875000 
1 1 1   39   15   23 o   8.5820   2.1110 1.411000 4.222000 
1 1 1   39   15   24 o   6.6970   1.9140 3.291000 3.828000 
1 1 1   39   15   25 o   5.9820   1.8570 1.575000 3.714000 
1 1 1   39   16    0 o   25.820   1.3610 -0.000000 0.000000 
1 1 1   39   16    1 o   29.430   0.8671 -1.510000 1.734000 
1 1 1   39   16    2 o   37.100   0.7418 0.8227000 1.484000 
1 1 1   39   16    3 o   16.130   1.4940 -0.5111000 2.989000 
1 1 1   39   16    4 o   12.770   1.9110 -3.551000 3.823000 
1 1 1   39   16    5 o   23.690   1.1490 1.711000 2.299000 
1 1 1   39   16    6 o   12.710   1.9230 4.320000 3.846000 
1 1 1   39   16    7 o   15.640   1.7030 -5.653000 3.406000 
1 1 1   39   16    8 o   13.100   1.8040 -7.721000 3.609000 
1 1 1   39   16    9 o   21.470   1.1410 -4.057000 2.281000 
1 1 1   39   16   10 o   31.360   0.8152 -0.6776000 1.630000 
1 1 1   39   16   11 o   16.510   1.4990 -0.8867000 2.999000 
1 1 1   39   16   12 o   13.310   1.8130 2.869000 3.626000 
1 1 1   39   16   13 o   14.880   1.6440 1.748000 3.287000 
1 1 1   39   16   14 o   15.170   1.6580 -1.785000 3.315000 
1 1 1   39   16   15 o   16.590   1.5800 3.504000 3.159000 
1 1 1   39   16   16 f   10.180   2.0760 4.777000 4.152000 
1 1 1   39   16   17 o   19.670   1.2750 -0.4110000 2.550000 
1 1 1   39   16   18 o   7.2860   2.0840 0.9403000 4.167000 
1 1 1   39   16   19 o   11.160   2.0650 2.402000 4.129000 
1 1 1   39   16   20 o   13.700   1.7670 -0.1576000 3.535000 
1 1 1   39   16   21 o   9.5110   2.0960 -2.256000 4.191000 
1 1 1   39   16   22 o   15.080   1.5800 -0.7257000 3.160000 
1 1 1   39   16   23 o   7.9510   2.0690 2.477000 4.137000 
1 1 1   39   16   24 o   4.8980   1.6470 0.7023000 3.294000 
1 1 1   39   17    0 o   16.750   2.2210 -0.000000 0.000000 
1 1 1   39   17    1 o   10.690   2.0110 -6.443000 4.022000 
1 1 1   39   17    2 o   18.550   1.3930 -0.9632000 2.786000 
1 1 1   39   17    3 o   12.810   1.9910 -3.825000 3.982000 
1 1 1   39   17    4 o   23.200   1.1430 1.191000 2.286000 
1 1 1   39   17    5 o   9.2300   1.9550 7.065000 3.910000 
1 1 1   39   17    6 o   30.230   0.8530 0.8769000 1.706000 
1 1 1   39   17    7 o   25.620   0.9847 0.2687000 1.969000 
1 1 1   39   17    8 o   20.300   1.2620 -3.040000 2.525000 
1 1 1   39   17    9 o   11.480   2.0190 -3.650000 4.037000 
1 1 1   39   17   10 o   9.8840   2.1760 -0.4230000 4.352000 
1 1 1   39   17   11 o   6.8040   2.0410 -0.1741000 4.083000 
1 1 1   39   17   12 o   16.050   1.6140 6.988000 3.228000 
1 1 1   39   17   13 o   9.5970   2.0980 -3.360000 4.196000 
1 1 1   39   17   14 o   10.990   2.0910 -2.181000 4.181000 
1 1 1   39   17   15 o   8.5000   2.1930 1.961000 4.385000 
1 1 1   39   17   16 o   11.290   2.1240 0.1437000 4.247000 
1 1 1   39   17   17 o   10.280   2.0740 -3.132000 4.147000 
1 1 1   39   17   18 o   14.610   1.6840 2.249000 3.367000 
1 1 1   39   17   19 o   6.1060   1.8820 -1.302000 3.764000 
1 1 1   39   17   20 o   7.0310   2.0280 -0.7453000 4.056000 
1 1 1   39   17   21 o   7.0850   2.0470 0.8989000 4.094000 
1 1 1   39   17   22 o   7.5480   1.9920 4.513000 3.984000 
1 1 1   39   17   23 o   11.550   4.0670      ?      ? 
1 1 1   39   18    0 o   7.1460   3.0600 -0.000000 0.000000 
1 1 1   39   18    1 o   14.090   1.9840 6.036000 3.968000 
1 1 1   39   18    2 o   9.0690   2.2480 2.936000 4.495000 
1 1 1   39   18    3 o   9.1850   2.2220 2.729000 4.444000 
1 1 1   39   18    4 o   22.730   1.1410 -0.3298000 2.283000 
1 1 1   39   18    5 o   5.8320   1.8730 -1.197000 3.746000 
1 1 1   39   18    6 o   7.9950   2.1500 3.781000 4.300000 
1 1 1   39   18    7 o   13.130   1.9850 1.857000 3.969000 
1 1 1   39   18    8 f   8.0060   2.0260 -4.252000 4.052000 
1 1 1   39   18    9 o   21.710   1.1820 -1.838000 2.365000 
1 1 1   39   18   10 o   8.2930   2.2070 0.2555000 4.413000 
1 1 1   39   18   11 o   18.060   1.4150 2.975000 2.830000 
1 1 1   39   18   12 o   7.7940   2.1720 1.410000 4.343000 
1 1 1   39   18   13 o   10.160   2.2390 2.046000 4.479000 
1 1 1   39   18   14 o   14.130   1.8130 1.435000 3.625000 
1 1 1   39   18   15 f   11.160   2.0940 4.223000 4.188000 
1 1 1   39   18   16 o   9.4440   2.0680 -3.534000 4.136000 
1 1 1   39   18   17 o   6.2920   1.9520 1.719000 3.905000 
1 1 1   39   18   18 o   8.7880   2.1600 0.2014000 4.320000 
1 1 1   39   18   19 o   8.0310   2.0840 3.701000 4.169000 
1 1 1   39   18   20 o   6.4970   1.9660 0.3499000E-01 3.933000 
1 1 1   39   18   21 o   5.9610   1.8790 0.2370000E-01 3.759000 
1 1 1   39   19    0 f   7.0150   3.0610 -0.000000 0.000000 
1 1 1   39   19    1 o   6.5180   2.0170 2.454000 4.033000 
1 1 1   39   19    2 o   10.600   2.2580 0.1164000 4.516000 
1 1 1   39   19    3 o   13.000   2.0230 4.214000 4.046000 
1 1 1   39   19    4 o   9.5990   2.1350 -3.603000 4.270000 
1 1 1   39   19    5 o   6.0340   1.9340 -0.4564000 3.867000 
1 1 1   39   19    6 o   15.460   1.8680 -7.920000 3.735000 
1 1 1   39   19    7 o   16.730   1.5760 1.933000 3.152000 
1 1 1   39   19    8 o   8.9470   2.2390 -1.452000 4.479000 
1 1 1   39   19    9 o   11.880   2.0950 -3.843000 4.189000 
1 1 1   39   19   10 o   23.910   1.0820 3.237000 2.164000 
1 1 1   39   19   11 o   7.1420   2.0720 -0.7993000 4.145000 
1 1 1   39   19   12 o   8.4300   2.2030 0.1360000 4.406000 
1 1 1   39   19   13 o   9.3370   2.1840 -2.005000 4.368000 
1 1 1   39   19   14 o   10.540   1.9900 7.339000 3.979000 
1 1 1   39   19   15 o   7.2300   2.0840 0.6266000E-01 4.167000 
1 1 1   39   19   16 o   6.0560   1.8800 3.031000 3.760000 
1 1 1   39   19   17 o   9.6030   1.8420 -6.585000 3.683000 
1 1 1   39   19   18 o   5.8650   1.8630 0.1400000 3.726000 
1 1 1   39   19   19 o   7.5670   2.0730 -0.8200000 4.145000 
1 1 1   39   20    0 o   9.0170   3.1600 -0.000000 0.000000 
1 1 1   39   20    1 o   6.1330   1.9430 0.5402000 3.885000 
1 1 1   39   20    2 o   10.680   2.2480 -0.3885000 4.496000 
1 1 1   39   20    3 o   5.8370   1.9050 0.2795000 3.810000 
1 1 1   39   20    4 o   12.440   2.0970 -3.834000 4.193000 
1 1 1   39   20    5 o   7.8030   2.1160 5.194000 4.233000 
1 1 1   39   20    6 o   10.460   2.1170 -4.562000 4.233000 
1 1 1   39   20    7 o   14.780   1.8490 -2.024000 3.698000 
1 1 1   39   20    8 o   18.770   1.4170 1.594000 2.834000 
1 1 1   39   20    9 o   11.150   2.2190 2.101000 4.438000 
1 1 1   39   20   10 o   9.1120   2.1640 4.474000 4.328000 
1 1 1   39   20   11 o   5.9610   1.9160 0.7430000 3.833000 
1 1 1   39   20   12 o   14.390   1.7990 0.1016000 3.597000 
1 1 1   39   20   13 o   9.6200   2.2210 1.463000 4.443000 
1 1 1   39   20   14 o   6.9510   2.0640 0.9136000 4.128000 
1 1 1   39   20   15 o   6.4020   1.9680 2.021000 3.936000 
1 1 1   39   20   16 o   7.3720   1.9680 5.063000 3.937000 
1 1 1   39   20   17 o   6.4490   1.9610 2.969000 3.922000 
1 1 1   39   21    0 o   6.1530   2.7500 -0.000000 0.000000 
1 1 1   39   21    1 o   10.330   2.2020 -0.3951000 4.404000 
1 1 1   39   21    2 o   7.9670   2.1610 1.090000 4.322000 
1 1 1   39   21    3 o   10.890   1.9180 7.191000 3.837000 
1 1 1   39   21    4 f   8.3380   2.1670 -2.748000 4.333000 
1 1 1   39   21    5 o   6.5520   2.0400 0.2962000 4.079000 
1 1 1   39   21    6 o   8.2270   1.9870 -5.153000 3.975000 
1 1 1   39   21    7 o   11.420   2.0770 -4.281000 4.154000 
1 1 1   39   21    8 o   7.6980   2.1500 0.5349000 4.301000 
1 1 1   39   21    9 o   9.7450   2.1900 -0.7439000 4.380000 
1 1 1   39   21   10 f   7.8880   2.1700 0.2015000 4.340000 
1 1 1   39   21   11 o   7.5820   2.0270 4.675000 4.054000 
1 1 1   39   21   12 o   6.7750   2.0280 0.6848000 4.056000 
1 1 1   39   21   13 o   12.540   1.9180 0.5471000 3.835000 
1 1 1   39   21   14 o   8.2040   2.1420 1.447000 4.284000 
1 1 1   39   22    0 o   10.750   3.0000 -0.000000 0.000000 
1 1 1   39   22    1 o   6.1400   1.9200 -1.269000 3.841000 
1 1 1   39   22    2 o   13.000   1.8500 -8.122000 3.700000 
1 1 1   39   22    3 o   6.6490   1.9620 2.742000 3.923000 
1 1 1   39   22    4 o   7.0530   2.0220 2.016000 4.045000 
1 1 1   39   22    5 f   7.5660   2.1670 1.406000 4.333000 
1 1 1   39   22    6 o   7.4600   2.0750 -2.410000 4.151000 
1 1 1   39   22    7 o   8.3200   1.9940 -4.681000 3.988000 
1 1 1   39   22    8 o   6.8690   2.0440 1.313000 4.088000 
1 1 1   39   22    9 o   9.4310   2.1440 -0.9315000 4.287000 
1 1 1   39   22   10 o   7.9300   2.1360 2.274000 4.273000 
1 1 1   39   22   11 o   7.8020   3.2130      ?      ? 
1 1 1   39   23    0 o   6.2020   2.7150 -0.000000 0.000000 
1 1 1   39   23    1 o   8.0690   2.1250 0.5253000 4.251000 
1 1 1   39   23    2 o   8.8920   2.1540 0.1525000 4.309000 
1 1 1   39   23    3 o   7.1490   1.9920 -2.632000 3.984000 
1 1 1   39   23    4 o   8.2720   2.1110 -0.8125000 4.221000 
1 1 1   39   23    5 o   6.6940   2.0430 2.871000 4.087000 
1 1 1   40    0    0 o   21.500   1.1560 -0.000000 0.000000 
1 1 1   40    0    1 o   24.020   0.7512 -0.000000 0.000000 
1 1 1   40    0    2 o   81.450   1.2270 -0.000000 0.000000 
1 1 1   40    0    3 o   5.1320   1.9830 -0.000000 0.000000 
1 1 1   40    0    4 o   43.570   0.7508 -0.000000 0.000000 
1 1 1   40    0    5 o   3.9580   1.7880 -0.000000 0.000000 
1 1 1   40    0    6 o   47.900   0.7949 -0.000000 0.000000 
1 1 1   40    0    7 o   25.110   0.7380 -0.000000 0.000000 
1 1 1   40    0    8 o   13.540   1.1720 -0.000000 0.000000 
1 1 1   40    0    9 o   25.720   0.7651 -0.000000 0.000000 
1 1 1   40    0   10 o   41.320   0.7455 -0.000000 0.000000 
1 1 1   40    0   11 o   18.480   0.9305 -0.000000 0.000000 
1 1 1   40    0   12 o   16.580   0.9947 -0.000000 0.000000 
1 1 1   40    0   13 o   56.380   0.9013 -0.000000 0.000000 
1 1 1   40    0   14 o   2.8380   1.4150 -0.000000 0.000000 
1 1 1   40    0   15 o   28.090   0.7532 -0.000000 0.000000 
1 1 1   40    0   16 o   42.830   0.7739 -0.000000 0.000000 
1 1 1   40    0   18 f   39.990   0.7790 -0.000000 0.000000 
1 1 1   40    0   19 o   28.300   0.7904 -0.000000 0.000000 
1 1 1   40    0   20 o   55.930   0.9234 -0.000000 0.000000 
1 1 1   40    0   21 o   23.440   0.9009 -0.000000 0.000000 
1 1 1   40    0   22 o   30.610   0.8228 -0.000000 0.000000 
1 1 1   40    0   23 o   26.880   0.8674 -0.000000 0.000000 
1 1 1   40    0   24 o   41.230   0.8482 -0.000000 0.000000 
1 1 1   40    0   25 o   6.5880   2.3980 -0.000000 0.000000 
1 1 1   40    0   26 o   26.050   0.9306 -0.000000 0.000000 
1 1 1   40    0   27 o   5.2510   2.1970 -0.000000 0.000000 
1 1 1   40    0   28 o   8.2840   2.2410 -0.000000 0.000000 
1 1 1   40    0   29 o   26.680   2.2320 -0.000000 0.000000 
1 1 1   40    0   30 o   8.9340   3.7170 -0.000000 0.000000 
1 1 1   40    0   31 f   10.150   3.8170 -0.000000 0.000000 
1 1 1   40    0   32 o   7.7580   3.3740 -0.000000 0.000000 
1 1 1   40    0   33 o   8.8540   3.6170 -0.000000 0.000000 
1 1 1   40    1    0 o   35.290   0.5628 -0.000000 0.000000 
1 1 1   40    1    1 o   66.660   0.5925 3.899000 1.185000 
1 1 1   40    1    2 o   37.710   0.4058 0.7718000 0.8115000 
1 1 1   40    1    3 o   23.810   0.4235 5.193000 0.8471000 
1 1 1   40    1    4 o   19.700   0.4789 -4.977000 0.9577000 
1 1 1   40    1    5 o   57.150   0.5198 2.753000 1.040000 
1 1 1   40    1    6 o   58.040   0.5272 4.395000 1.054000 
1 1 1   40    1    7 o   80.030   0.6994 6.976000 1.399000 
1 1 1   40    1    8 o   34.570   0.4027 -2.460000 0.8055000 
1 1 1   40    1    9 o   21.110   0.4663 -2.785000 0.9327000 
1 1 1   40    1   10 o   27.880   0.4086 -2.160000 0.8172000 
1 1 1   40    1   11 o   22.470   0.4374 -3.031000 0.8748000 
1 1 1   40    1   12 o   33.000   0.4057 -0.8438000 0.8113000 
1 1 1   40    1   13 o   19.460   0.5051 -2.789000 1.010000 
1 1 1   40    1   14 o   14.170   0.7890 1.118000 1.578000 
1 1 1   40    1   15 f   45.490   0.5103 -0.7186000 1.021000 
1 1 1   40    1   16 o   20.520   0.5472 -0.5138000 1.094000 
1 1 1   40    1   17 o   21.350   0.5626 -1.075000 1.125000 
1 1 1   40    1   18 o   28.520   0.5024 2.900000 1.005000 
1 1 1   40    1   19 o   35.790   0.4933 -5.220000 0.9865000 
1 1 1   40    1   20 o   7.4240   1.0960 7.137000 2.192000 
1 1 1   40    1   21 o   11.380   1.2520 -2.380000 2.505000 
1 1 1   40    1   22 o   9.2560   1.4150 -6.521000 2.831000 
1 1 1   40    1   23 o   40.620   0.5858 -2.514000 1.172000 
1 1 1   40    1   24 o   19.960   0.7645 -3.102000 1.529000 
1 1 1   40    1   25 o   5.4690   1.6100 -0.2914000 3.220000 
1 1 1   40    1   26 o   9.3850   1.3630 7.967000 2.727000 
1 1 1   40    1   27 o   22.360   0.7095 -1.043000 1.419000 
1 1 1   40    1   28 o   12.030   1.0910 -0.5784000 2.181000 
1 1 1   40    1   29 o   9.5590   2.1410 -1.079000 4.282000 
1 1 1   40    1   30 o   10.920   2.1210 0.5166000E-02 4.242000 
1 1 1   40    1   31 o   11.120   2.4350 7.457000 4.870000 
1 1 1   40    1   32 o   10.020   2.6080 -2.067000 5.216000 
1 1 1   40    1   33 o   6.6950   2.2070 0.1873000 4.415000 
1 1 1   40    2    0 o   66.820   1.0250 -0.000000 0.000000 
1 1 1   40    2    1 o   50.920   0.5855 2.271000 1.171000 
1 1 1   40    2    2 o   20.640   0.5561 -4.632000 1.112000 
1 1 1   40    2    3 o   14.870   0.6926 -1.667000 1.385000 
1 1 1   40    2    4 o   45.470   0.5396 -4.167000 1.079000 
1 1 1   40    2    5 o   55.010   0.6154 0.7672000 1.231000 
1 1 1   40    2    6 o   14.020   0.7630 4.207000 1.526000 
1 1 1   40    2    7 o   84.730   0.9008 5.237000 1.802000 
1 1 1   40    2    8 o   31.630   0.4906 3.584000 0.9811000 
1 1 1   40    2    9 o   28.310   0.5070 5.472000 1.014000 
1 1 1   40    2   10 o   48.880   0.5741 -0.2561000 1.148000 
1 1 1   40    2   11 f   66.940   0.7288 -5.054000 1.458000 
1 1 1   40    2   12 o   7.9700   1.3260 -2.039000 2.651000 
1 1 1   40    2   13 o   28.110   0.5111 -3.617000 1.022000 
1 1 1   40    2   14 o   30.180   0.4702 1.231000 0.9404000 
1 1 1   40    2   15 o   37.250   0.4759 0.4345000 0.9518000 
1 1 1   40    2   16 o   27.210   0.4891 2.084000 0.9782000 
1 1 1   40    2   17 o   29.110   0.4907 -1.584000 0.9814000 
1 1 1   40    2   18 o  102.700   0.9925 -0.5801000 1.985000 
1 1 1   40    2   19 o   49.310   0.5452 1.182000 1.090000 
1 1 1   40    2   20 o   29.730   0.5567 -1.913000 1.113000 
1 1 1   40    2   21 o   11.470   0.9832 -1.692000 1.966000 
1 1 1   40    2   22 o   32.300   0.5357 -3.152000 1.071000 
1 1 1   40    2   23 o   5.1600   1.3890 2.277000 2.778000 
1 1 1   40    2   24 o   26.600   0.6764 6.245000 1.353000 
1 1 1   40    2   25 o   39.870   0.5541 1.040000 1.108000 
1 1 1   40    2   26 o   15.280   0.9517 1.312000 1.903000 
1 1 1   40    2   27 o   9.9800   1.3760 -1.500000 2.752000 
1 1 1   40    2   28 o   6.6310   1.6190 -2.089000 3.237000 
1 1 1   40    2   29 o   21.660   1.4750 2.164000 2.950000 
1 1 1   40    2   30 o   6.9110   2.1170 1.122000 4.235000 
1 1 1   40    2   31 o   10.750   2.2270 1.855000 4.454000 
1 1 1   40    2   32 o   14.770   1.9290 -5.433000 3.859000 
1 1 1   40    2   33 o   10.240   2.5600 2.821000 5.121000 
1 1 1   40    3    0 o   78.540   1.1890 -0.000000 0.000000 
1 1 1   40    3    1 o   62.280   0.6859 -3.852000 1.372000 
1 1 1   40    3    2 o   57.940   0.6454 -0.7884000 1.291000 
1 1 1   40    3    3 o   16.820   0.6462 1.929000 1.292000 
1 1 1   40    3    4 o   27.710   0.4884 -2.541000 0.9768000 
1 1 1   40    3    5 o   28.940   0.4875 2.416000 0.9749000 
1 1 1   40    3    6 o   54.600   0.6160 -0.9255000 1.232000 
1 1 1   40    3    7 o   51.210   0.5889 0.1333000 1.178000 
1 1 1   40    3    8 o   26.320   0.5181 -0.3582000 1.036000 
1 1 1   40    3    9 o   44.980   0.5482 -1.830000 1.096000 
1 1 1   40    3   10 o   50.780   0.5907 -3.858000 1.181000 
1 1 1   40    3   11 o   11.260   1.0520 1.820000 2.105000 
1 1 1   40    3   12 o   42.430   0.5395 -2.817000 1.079000 
1 1 1   40    3   13 o   18.120   0.6998 -6.536000 1.400000 
1 1 1   40    3   14 o   48.210   0.5787 2.134000 1.157000 
1 1 1   40    3   15 o   34.280   0.5223 -0.6103000 1.045000 
1 1 1   40    3   16 o   39.970   0.5418 1.973000 1.084000 
1 1 1   40    3   17 o   21.570   0.6611 4.642000 1.322000 
1 1 1   40    3   18 o   65.230   0.7265 1.523000 1.453000 
1 1 1   40    3   19 o   90.300   0.9650 -1.863000 1.930000 
1 1 1   40    3   20 o   39.570   0.5711 0.7861000 1.142000 
1 1 1   40    3   21 o   29.480   0.6109 1.749000 1.222000 
1 1 1   40    3   22 o   16.400   0.8502 -1.253000 1.700000 
1 1 1   40    3   23 o   23.690   0.6820 2.784000 1.364000 
1 1 1   40    3   24 o   46.200   0.5465 0.8539000 1.093000 
1 1 1   40    3   25 o   7.5950   1.6170 0.2296000 3.234000 
1 1 1   40    3   26 o   10.580   1.4650 2.119000 2.930000 
1 1 1   40    3   27 o   11.400   1.4780 4.194000 2.957000 
1 1 1   40    3   28 o   13.590   1.3590 -0.4743000 2.719000 
1 1 1   40    3   29 o   19.430   0.8794 3.191000 1.759000 
1 1 1   40    3   30 o   16.090   0.8867 -0.2430000 1.773000 
1 1 1   40    3   31 o   21.210   0.8164 3.421000 1.633000 
1 1 1   40    3   32 o   7.6730   1.6520 2.275000 3.304000 
1 1 1   40    3   33 o   5.5090   1.5560 -0.5370000 3.113000 
1 1 1   40    4    0 o   12.730   1.2430 -0.000000 0.000000 
1 1 1   40    4    1 o   87.610   0.9313 -1.317000 1.863000 
1 1 1   40    4    2 f   36.350   0.5115 -2.067000 1.023000 
1 1 1   40    4    3 o   84.010   0.8957 1.000000 1.791000 
1 1 1   40    4    4 o   42.630   0.5304 1.356000 1.061000 
1 1 1   40    4    5 o   59.220   0.6599 -6.237000 1.320000 
1 1 1   40    4    6 o   67.960   0.7400 0.8395000 1.480000 
1 1 1   40    4    7 o   50.210   0.5881 -1.066000 1.176000 
1 1 1   40    4    8 o   48.300   0.5759 4.001000 1.152000 
1 1 1   40    4    9 f   56.010   0.9028      ?      ? 
1 1 1   40    4   10 o   31.710   0.5202 -0.4315000 1.040000 
1 1 1   40    4   11 o   14.540   0.8385 0.7623000 1.677000 
1 1 1   40    4   12 o   36.910   0.5327 2.228000 1.065000 
1 1 1   40    4   13 o   36.500   0.5364 -2.897000 1.073000 
1 1 1   40    4   14 o   19.140   0.6859 -1.020000 1.372000 
1 1 1   40    4   15 o   20.170   0.6855 -4.155000 1.371000 
1 1 1   40    4   16 o   17.800   0.7638 1.049000 1.528000 
1 1 1   40    4   17 o   33.510   0.5570 0.3977000 1.114000 
1 1 1   40    4   18 o   12.650   1.1380 -3.454000 2.277000 
1 1 1   40    4   19 o   38.560   0.5696 -2.251000 1.139000 
1 1 1   40    4   20 o   46.340   0.6075 -0.4387000 1.215000 
1 1 1   40    4   21 o   25.190   0.6986 0.2784000E-01 1.397000 
1 1 1   40    4   22 o   19.360   0.8066 -0.3657000 1.613000 
1 1 1   40    4   23 o   13.340   1.3380 4.532000 2.677000 
1 1 1   40    4   24 o   37.100   0.6428 1.480000 1.286000 
1 1 1   40    4   25 o   44.040   0.5882 1.681000 1.176000 
1 1 1   40    4   26 o   25.200   0.8047      ?      ? 
1 1 1   40    4   27 o   24.520   0.7152 -3.352000 1.430000 
1 1 1   40    4   28 o   9.0990   1.6660 1.776000 3.331000 
1 1 1   40    4   29 o   8.7680   1.6800 -0.3802000E-01 3.360000 
1 1 1   40    4   30 o   6.9890   1.6930 -1.241000 3.386000 
1 1 1   40    4   31 o   17.700   0.8803 -0.2631000 1.761000 
1 1 1   40    4   32 o   8.9540   1.8450 -0.6775000E-01 3.689000 
1 1 1   40    4   33 o   8.5720   3.0010      ?      ? 
1 1 1   40    5    0 o   77.730   1.1840 -0.000000 0.000000 
1 1 1   40    5    1 o   50.380   0.5968 -2.109000 1.194000 
1 1 1   40    5    2 o   12.420   1.0120 -2.285000 2.023000 
1 1 1   40    5    3 o   26.580   0.5437 -4.449000 1.087000 
1 1 1   40    5    4 o   26.880   0.5361 2.624000 1.072000 
1 1 1   40    5    5 o   53.100   0.6154 1.958000 1.231000 
1 1 1   40    5    6 o   43.380   0.5484 0.8875000 1.097000 
1 1 1   40    5    7 o   41.680   0.5419 2.930000 1.084000 
1 1 1   40    5    8 o   48.950   0.5858 -4.323000 1.172000 
1 1 1   40    5    9 o   19.350   0.6842 2.578000 1.368000 
1 1 1   40    5   10 o   45.070   0.8105      ?      ? 
1 1 1   40    5   11 o   27.920   0.5637 -5.231000 1.127000 
1 1 1   40    5   12 o   9.2410   1.4390 -1.479000 2.877000 
1 1 1   40    5   13 o   18.490   0.7488 -2.874000 1.498000 
1 1 1   40    5   14 o   18.620   0.7854 4.514000 1.571000 
1 1 1   40    5   15 o   51.630   0.6222 -2.432000 1.244000 
1 1 1   40    5   16 o   33.010   0.5745 -1.216000 1.149000 
1 1 1   40    5   17 o   38.270   0.5721 -2.228000 1.144000 
1 1 1   40    5   18 o   52.440   0.6426 0.8257000 1.285000 
1 1 1   40    5   19 o   54.620   0.6595 -3.222000 1.319000 
1 1 1   40    5   20 o   65.900   0.6837 1.985000 1.367000 
1 1 1   40    5   21 o   30.800   0.6010 -2.688000 1.202000 
1 1 1   40    5   22 o   25.830   0.6829 -0.1517000 1.366000 
1 1 1   40    5   23 o   31.600   0.6306 -0.2076000 1.261000 
1 1 1   40    5   24 o   23.190   0.7922 2.135000 1.584000 
1 1 1   40    5   25 o   17.570   1.0230 -2.575000 2.045000 
1 1 1   40    5   26 o   28.480   0.7092 -1.596000 1.418000 
1 1 1   40    5   27 o   22.720   0.8965 2.833000 1.793000 
1 1 1   40    5   28 o   19.680   0.9763 -0.3527000 1.953000 
1 1 1   40    5   29 o   14.020   1.3270 0.2967000 2.654000 
1 1 1   40    5   30 o   5.2990   1.6490 -0.6955000 3.298000 
1 1 1   40    5   31 o   8.9640   1.6880 1.313000 3.376000 
1 1 1   40    5   32 o   3.5650   1.2020 -0.5530000E-01 2.405000 
1 1 1   40    6    0 o   5.2920   2.1600 -0.000000 0.000000 
1 1 1   40    6    1 o   26.880   0.5841 -4.467000 1.168000 
1 1 1   40    6    2 o   43.450   0.5663 -3.737000 1.133000 
1 1 1   40    6    3 o   42.370   0.5594 4.467000 1.119000 
1 1 1   40    6    4 o   31.600   0.5472 -0.5679000 1.094000 
1 1 1   40    6    5 f   8.2400   1.4380 -4.531000 2.876000 
1 1 1   40    6    6 o   7.0430   1.5120 -2.661000 3.025000 
1 1 1   40    6    7 o   26.950   0.5740 0.2406000 1.148000 
1 1 1   40    6    8 o   49.600   0.6039 -5.843000 1.208000 
1 1 1   40    6    9 o   39.020   0.5578 -5.145000 1.116000 
1 1 1   40    6   10 f   44.550   0.5822 -3.768000 1.164000 
1 1 1   40    6   11 o   24.390   0.6398 -4.431000 1.280000 
1 1 1   40    6   12 o   13.410   1.2680 7.871000 2.535000 
1 1 1   40    6   13 o   38.320   0.5811 -3.302000 1.162000 
1 1 1   40    6   14 o   38.210   0.5786 0.9854000 1.157000 
1 1 1   40    6   15 o   19.990   0.7853 -0.4874000 1.571000 
1 1 1   40    6   16 o   50.660   0.6316 5.240000 1.263000 
1 1 1   40    6   17 o   54.900   0.6690 -2.623000 1.338000 
1 1 1   40    6   18 o   17.350   0.8792 -1.371000 1.758000 
1 1 1   40    6   19 o   45.120   0.5744 -5.174000 1.149000 
1 1 1   40    6   20 o   8.0960   1.7660 -1.079000 3.532000 
1 1 1   40    6   21 o   28.820   0.6804 3.328000 1.361000 
1 1 1   40    6   22 o   25.520   0.7276 -0.3170000 1.455000 
1 1 1   40    6   23 o   16.040   1.1010 -1.501000 2.203000 
1 1 1   40    6   24 o   26.600   0.7417 -0.7970000 1.483000 
1 1 1   40    6   25 o   38.840   0.6334 -1.510000 1.267000 
1 1 1   40    6   26 o   8.6330   1.9130 0.2912000 3.826000 
1 1 1   40    6   27 o   9.7730   1.7360 4.343000 3.472000 
1 1 1   40    6   28 o   12.170   1.6450 1.803000 3.289000 
1 1 1   40    6   29 o   7.5690   1.9210 -0.6271000 3.843000 
1 1 1   40    6   30 o   21.370   0.9172 1.613000 1.834000 
1 1 1   40    6   31 o   10.710   1.6960 -0.8263000 3.392000 
1 1 1   40    6   32 o   16.200   0.9983 -3.800000 1.997000 
1 1 1   40    7    0 o   15.320   1.3430 -0.000000 0.000000 
1 1 1   40    7    1 o   12.330   1.1890 1.468000 2.378000 
1 1 1   40    7    2 o   25.860   0.6195 -2.397000 1.239000 
1 1 1   40    7    3 o   4.6340   1.4450 1.493000 2.890000 
1 1 1   40    7    4 f   16.940   0.8526 -1.830000 1.705000 
1 1 1   40    7    5 o   45.680   0.5881 -0.3763000 1.176000 
1 1 1   40    7    6 o   33.660   0.5708 2.927000 1.142000 
1 1 1   40    7    7 o   27.180   0.5998 2.714000 1.200000 
1 1 1   40    7    8 o   18.070   0.8178 -3.953000 1.636000 
1 1 1   40    7    9 o   4.8990   1.5070 -0.7775000 3.014000 
1 1 1   40    7   10 o   19.830   0.7946 -5.769000 1.589000 
1 1 1   40    7   11 o   14.530   1.0610 -0.5124000 2.122000 
1 1 1   40    7   12 o   60.330   0.6986 0.7420000 1.397000 
1 1 1   40    7   13 o   20.340   0.8085 1.568000 1.617000 
1 1 1   40    7   14 o   43.510   0.6019 1.696000 1.204000 
1 1 1   40    7   15 o   12.840   1.2470 3.921000 2.495000 
1 1 1   40    7   16 o   49.080   0.5875 -2.645000 1.175000 
1 1 1   40    7   17 o   14.170   1.2170 2.477000 2.435000 
1 1 1   40    7   18 f   40.030   0.5828 3.869000 1.166000 
1 1 1   40    7   19 o   18.780   0.9227 -1.692000 1.845000 
1 1 1   40    7   20 o   44.930   0.6069 -1.285000 1.214000 
1 1 1   40    7   21 o   20.000   0.9536 -2.164000 1.907000 
1 1 1   40    7   22 o   11.140   1.6840 -2.388000 3.369000 
1 1 1   40    7   23 o   34.140   0.6639 -0.6516000 1.328000 
1 1 1   40    7   24 o   8.2500   1.6130 6.059000 3.227000 
1 1 1   40    7   25 o   23.710   0.9224 4.337000 1.845000 
1 1 1   40    7   26 o   12.970   1.5860 0.2823000 3.172000 
1 1 1   40    7   27 o   6.9100   1.7650 3.055000 3.529000 
1 1 1   40    7   28 o   8.3120   1.9470 0.8567000 3.893000 
1 1 1   40    7   29 o   16.520   1.2910 1.782000 2.583000 
1 1 1   40    7   30 o   9.0240   1.7420 4.148000 3.483000 
1 1 1   40    7   31 o   19.600   0.9353 -4.381000 1.871000 
1 1 1   40    8    0 f   9.4090   2.2860 -0.000000 0.000000 
1 1 1   40    8    1 o   30.430   0.6152 -1.151000 1.230000 
1 1 1   40    8    2 f   7.7750   1.7250 -0.7614000 3.451000 
1 1 1   40    8    3 o   22.670   0.7238 -2.581000 1.448000 
1 1 1   40    8    4 o   48.160   0.6197 -2.499000 1.239000 
1 1 1   40    8    5 o   25.240   0.6932 1.975000 1.386000 
1 1 1   40    8    6 o   44.030   0.6115 2.388000 1.223000 
1 1 1   40    8    7 o   29.580   0.6253 -3.285000 1.251000 
1 1 1   40    8    8 o   19.050   0.8685 0.8491000 1.737000 
1 1 1   40    8    9 o   34.340   0.5991 -2.509000 1.198000 
1 1 1   40    8   10 o   57.200   0.6829 -1.694000 1.366000 
1 1 1   40    8   11 o   32.630   0.6198 -0.7262000 1.240000 
1 1 1   40    8   12 o   16.150   1.0460 -1.231000 2.091000 
1 1 1   40    8   13 o   21.610   0.7503 -3.433000 1.501000 
1 1 1   40    8   14 o   10.260   1.5130 -6.588000 3.027000 
1 1 1   40    8   15 o   26.360   0.6876 0.8678000 1.375000 
1 1 1   40    8   16 o   47.140   0.6012 -1.474000 1.202000 
1 1 1   40    8   17 o   33.380   0.6333 1.127000 1.267000 
1 1 1   40    8   18 o   34.850   0.6207 -2.045000 1.241000 
1 1 1   40    8   19 o   8.9790   1.8760 -0.5234000E-01 3.751000 
1 1 1   40    8   20 o   17.690   1.0670 -4.243000 2.135000 
1 1 1   40    8   21 o   7.5840   1.8450 2.768000 3.691000 
1 1 1   40    8   22 o   26.570   0.8121 0.2624000E-01 1.624000 
1 1 1   40    8   23 f   23.200   0.9247 -0.4909000 1.849000 
1 1 1   40    8   24 o   18.980   1.1390 -1.563000 2.278000 
1 1 1   40    8   25 f   24.000   0.9334 1.603000 1.867000 
1 1 1   40    8   26 o   7.1900   1.9880 -1.944000 3.976000 
1 1 1   40    8   27 o   19.910   1.1190 3.881000 2.239000 
1 1 1   40    8   28 o   8.2380   1.8780 2.895000 3.756000 
1 1 1   40    8   29 o   6.8820   1.9070 0.3200000 3.814000 
1 1 1   40    8   30 o   6.9520   1.8370 1.634000 3.674000 
1 1 1   40    8   31 o   6.4830   1.8250 -2.613000 3.650000 
1 1 1   40    9    0 o   13.930   1.6960 -0.000000 0.000000 
1 1 1   40    9    1 o   19.150   0.8778 -0.2128000 1.756000 
1 1 1   40    9    2 o   38.670   0.6161 -1.337000 1.232000 
1 1 1   40    9    3 o   18.870   0.9039 0.1992000 1.808000 
1 1 1   40    9    4 o   44.130   0.6278 -0.6543000 1.256000 
1 1 1   40    9    5 o   8.8540   1.7730 -1.259000 3.545000 
1 1 1   40    9    6 o   18.430   0.9321 0.6726000 1.864000 
1 1 1   40    9    7 o   58.150   0.6934 -0.7188000 1.387000 
1 1 1   40    9    8 o   7.8350   1.8170 -1.615000 3.634000 
1 1 1   40    9    9 o   20.080   0.8774 -0.6817000 1.755000 
1 1 1   40    9   10 o   44.630   0.5761 -1.889000 1.152000 
1 1 1   40    9   11 o   64.500   0.6810 0.7467000 1.362000 
1 1 1   40    9   12 o   16.680   1.0270 -4.664000 2.053000 
1 1 1   40    9   13 o   16.530   1.0530 -2.360000 2.107000 
1 1 1   40    9   14 o   30.920   0.6540 1.432000 1.308000 
1 1 1   40    9   15 o   27.160   0.7155 -2.849000 1.431000 
1 1 1   40    9   16 o   38.910   0.6118 1.495000 1.224000 
1 1 1   40    9   17 o   24.810   0.7927 -2.625000 1.585000 
1 1 1   40    9   18 o   20.470   0.9833 0.1394000 1.967000 
1 1 1   40    9   19 o   45.680   0.6435 -0.4899000 1.287000 
1 1 1   40    9   20 o   6.9870   1.9470 -1.406000 3.894000 
1 1 1   40    9   21 o   25.800   0.8467 1.932000 1.693000 
1 1 1   40    9   22 o   25.260   0.8884 0.7861000 1.777000 
1 1 1   40    9   23 o   13.620   1.7330 5.838000 3.467000 
1 1 1   40    9   24 o   14.400   1.6000 1.712000 3.200000 
1 1 1   40    9   25 o   21.720   1.0580 1.524000 2.117000 
1 1 1   40    9   26 o   9.3480   1.9060 -6.492000 3.813000 
1 1 1   40    9   27 o   6.7790   1.8710 2.170000 3.743000 
1 1 1   40    9   28 f   8.4530   2.0510 -2.269000 4.102000 
1 1 1   40    9   29 o   6.9750   1.9480 -2.143000 3.896000 
1 1 1   40    9   30 o   9.6970   1.8210 3.274000 3.642000 
1 1 1   40   10    0 o   29.490   0.9832 -0.000000 0.000000 
1 1 1   40   10    1 o   21.810   0.8492 -2.721000 1.698000 
1 1 1   40   10    2 o   34.210   0.6610 1.804000 1.322000 
1 1 1   40   10    3 o   37.750   0.6391 -1.512000 1.278000 
1 1 1   40   10    4 o   22.500   0.8329 -1.888000 1.666000 
1 1 1   40   10    5 o   6.4670   1.7140 -3.547000 3.428000 
1 1 1   40   10    6 o   18.000   0.9669 -6.188000 1.934000 
1 1 1   40   10    7 o   30.000   0.6498 -3.814000 1.300000 
1 1 1   40   10    8 o   17.990   0.9791 2.287000 1.958000 
1 1 1   40   10    9 o   37.880   0.5970 1.145000 1.194000 
1 1 1   40   10   10 o   18.710   0.9537 -0.6071000 1.907000 
1 1 1   40   10   11 o   28.850   0.6855 -3.114000 1.371000 
1 1 1   40   10   12 f   18.720   0.9948 -0.7367000 1.990000 
1 1 1   40   10   13 o   56.280   0.6580 -0.9108000 1.316000 
1 1 1   40   10   14 o   36.700   0.6531 3.264000 1.306000 
1 1 1   40   10   15 o   29.750   0.7288 3.974000 1.458000 
1 1 1   40   10   16 o   53.980   0.6590 4.175000 1.318000 
1 1 1   40   10   17 o   25.890   0.8404 4.058000 1.681000 
1 1 1   40   10   18 o   15.440   1.5430 7.109000 3.087000 
1 1 1   40   10   19 o   30.640   0.7568 -2.655000 1.514000 
1 1 1   40   10   20 o   22.290   0.9966 -0.5940000 1.993000 
1 1 1   40   10   21 o   15.350   1.5050 -0.1739000 3.010000 
1 1 1   40   10   22 o   14.250   1.7230 4.477000 3.446000 
1 1 1   40   10   23 o   22.720   1.1310 -1.365000 2.262000 
1 1 1   40   10   24 o   21.960   1.0820 0.3966000E-01 2.164000 
1 1 1   40   10   25 o   16.330   1.4460 -1.618000 2.892000 
1 1 1   40   10   26 o   10.910   1.9990 0.8020000E-01 3.998000 
1 1 1   40   10   27 o   9.9320   2.0060 -5.692000 4.013000 
1 1 1   40   10   28 o   7.3440   1.9670 1.819000 3.934000 
1 1 1   40   10   29 o   6.8050   1.8510 -5.333000 3.701000 
1 1 1   40   10   30 o   7.1750   1.9490 -0.2015000E-01 3.897000 
1 1 1   40   11    0 o   63.140   1.0590 -0.000000 0.000000 
1 1 1   40   11    1 o   8.5530   1.9500 -0.5065000 3.899000 
1 1 1   40   11    2 o   6.0410   1.7460 1.131000 3.491000 
1 1 1   40   11    3 o   32.100   0.6559 -1.650000 1.312000 
1 1 1   40   11    4 o   45.320   0.6186 -1.831000 1.237000 
1 1 1   40   11    5 o   6.5230   1.8240 -0.9604000E-01 3.648000 
1 1 1   40   11    6 o   54.430   0.6429 3.662000 1.286000 
1 1 1   40   11    7 o   42.920   0.6189 -1.424000 1.238000 
1 1 1   40   11    8 o   46.110   0.6224 -2.027000 1.245000 
1 1 1   40   11    9 o   31.230   0.6781 3.636000 1.356000 
1 1 1   40   11   10 o   27.330   0.7491 2.742000 1.498000 
1 1 1   40   11   11 f   28.630   0.7294 -0.6853000E-01 1.459000 
1 1 1   40   11   12 o   75.570   0.7868 -0.7753000 1.574000 
1 1 1   40   11   13 o   20.610   1.0750 6.938000 2.149000 
1 1 1   40   11   14 o   13.160   1.6030 -2.626000 3.206000 
1 1 1   40   11   15 o   53.340   0.6709 -1.837000 1.342000 
1 1 1   40   11   16 o   4.3990   1.5040 0.5064000 3.007000 
1 1 1   40   11   17 o   11.350   1.8790 3.659000 3.757000 
1 1 1   40   11   18 f   19.080   1.2190 -4.649000 2.438000 
1 1 1   40   11   19 o   23.270   1.0340 0.4899000 2.067000 
1 1 1   40   11   20 o   30.250   0.8444 1.329000 1.689000 
1 1 1   40   11   21 o   20.770   1.1950 -1.678000 2.391000 
1 1 1   40   11   22 f   10.980   2.1320 -0.9369000 4.263000 
1 1 1   40   11   23 o   16.700   1.5130 0.2399000 3.026000 
1 1 1   40   11   24 o   11.670   2.0320 1.512000 4.065000 
1 1 1   40   11   25 o   8.7580   2.0070 -5.954000 4.013000 
1 1 1   40   11   26 o   31.930   0.8263 -1.560000 1.653000 
1 1 1   40   11   27 o   8.4740   2.1340 0.9282000 4.268000 
1 1 1   40   11   28 o   10.680   2.0390 -1.142000 4.077000 
1 1 1   40   11   29 o   10.070   2.5660      ?      ? 
1 1 1   40   12    0 o   7.9990   2.6760 -0.000000 0.000000 
1 1 1   40   12    1 o   26.300   0.8437 -4.590000 1.687000 
1 1 1   40   12    2 o   14.540   1.3350 -6.182000 2.670000 
1 1 1   40   12    3 o   50.410   0.6451 -2.655000 1.290000 
1 1 1   40   12    4 o   21.120   0.9847 2.305000 1.969000 
1 1 1   40   12    5 o   25.500   0.8088 -1.716000 1.618000 
1 1 1   40   12    6 o   47.240   0.6424 1.132000 1.285000 
1 1 1   40   12    7 o   34.770   0.6823 -2.558000 1.365000 
1 1 1   40   12    8 o   65.280   0.7173 2.395000 1.435000 
1 1 1   40   12    9 o   14.630   1.4620 -7.558000 2.925000 
1 1 1   40   12   10 o   28.140   0.7806 1.961000 1.561000 
1 1 1   40   12   11 o   30.790   0.8731 1.375000 1.746000 
1 1 1   40   12   12 o   21.270   1.0460 3.270000 2.092000 
1 1 1   40   12   13 o   19.450   1.1220 1.153000 2.244000 
1 1 1   40   12   14 o   30.440   0.7892 -1.976000 1.578000 
1 1 1   40   12   15 o   9.2780   2.8370      ?      ? 
1 1 1   40   12   16 o   18.180   1.2980 2.288000 2.596000 
1 1 1   40   12   17 o   9.2920   2.1530 -0.1162000 4.306000 
1 1 1   40   12   18 o   23.780   1.0710 5.163000 2.142000 
1 1 1   40   12   19 o   21.670   1.1610 -1.633000 2.321000 
1 1 1   40   12   20 o   32.080   0.8475 -2.710000 1.695000 
1 1 1   40   12   21 o   22.840   1.1490 1.109000 2.297000 
1 1 1   40   12   22 o   9.9760   2.2190 -2.853000 4.439000 
1 1 1   40   12   23 o   10.950   2.1740 0.7546000 4.348000 
1 1 1   40   12   24 o   10.260   2.1200 -5.306000 4.241000 
1 1 1   40   12   25 o   9.8440   2.0260 4.606000 4.051000 
1 1 1   40   12   26 o   8.7460   2.1470 -4.387000 4.294000 
1 1 1   40   12   27 o   12.900   1.8570 -0.1882000 3.715000 
1 1 1   40   12   28 o   8.0080   2.0820 0.8106000 4.163000 
1 1 1   40   13    0 o   43.370   0.8544 -0.000000 0.000000 
1 1 1   40   13    1 o   49.920   0.5950 -1.905000 1.190000 
1 1 1   40   13    2 o   23.890   0.8356 -0.1922000 1.671000 
1 1 1   40   13    3 o   48.310   0.5986 -2.584000 1.197000 
1 1 1   40   13    4 o   23.640   0.8593 -3.854000 1.719000 
1 1 1   40   13    5 o   5.6980   1.7560 -0.4408000 3.512000 
1 1 1   40   13    6 o   33.300   0.6672 -3.282000 1.334000 
1 1 1   40   13    7 o   25.100   0.8919 -2.640000 1.784000 
1 1 1   40   13    8 o   27.100   0.7812 1.479000 1.562000 
1 1 1   40   13    9 o   47.600   0.6104 1.310000 1.221000 
1 1 1   40   13   10 o   20.980   1.1120 2.659000 2.223000 
1 1 1   40   13   11 o   9.3090   2.0740 -1.570000 4.148000 
1 1 1   40   13   12 o   23.800   0.9868 1.609000 1.974000 
1 1 1   40   13   13 o   25.290   0.9615 -3.524000 1.923000 
1 1 1   40   13   14 o   23.310   1.0360 -1.827000 2.071000 
1 1 1   40   13   15 o   20.770   1.1610 -1.978000 2.322000 
1 1 1   40   13   16 o   19.480   1.2940 -4.350000 2.587000 
1 1 1   40   13   17 o   35.020   0.8093 1.018000 1.619000 
1 1 1   40   13   18 o   20.150   1.2850 -1.468000 2.570000 
1 1 1   40   13   19 o   11.410   2.1370 -3.762000 4.273000 
1 1 1   40   13   20 o   11.500   2.2300 -0.4929000 4.460000 
1 1 1   40   13   21 o   6.9660   2.1080 -0.8349000 4.215000 
1 1 1   40   13   22 o   18.110   1.5260 -5.242000 3.051000 
1 1 1   40   13   23 o   16.990   1.6060 2.440000 3.213000 
1 1 1   40   13   24 o   13.030   1.9800 -2.420000 3.960000 
1 1 1   40   13   25 o   8.7580   2.1140 3.202000 4.228000 
1 1 1   40   13   26 o   6.6560   2.0090 -0.2955000 4.018000 
1 1 1   40   13   27 f   6.0590   1.9120 -1.658000 3.824000 
1 1 1   40   14    0 o   8.4850   2.8390 -0.000000 0.000000 
1 1 1   40   14    1 o   13.810   1.5240 4.177000 3.049000 
1 1 1   40   14    2 o   22.560   1.1510 3.303000 2.303000 
1 1 1   40   14    3 o   7.8820   2.0130 0.2917000 4.026000 
1 1 1   40   14    4 o   32.090   0.7117 0.4760000E-01 1.423000 
1 1 1   40   14    5 o   6.5690   1.8980 -1.241000 3.795000 
1 1 1   40   14    6 f   43.750   0.6339 -0.7772000 1.268000 
1 1 1   40   14    7 o   20.090   1.0790 -4.378000 2.158000 
1 1 1   40   14    8 o   35.180   0.6990 -0.7331000E-01 1.398000 
1 1 1   40   14    9 o   30.980   0.7741 2.173000 1.548000 
1 1 1   40   14   10 o   14.410   1.6510 6.051000 3.303000 
1 1 1   40   14   11 o   16.260   1.4510 4.916000 2.902000 
1 1 1   40   14   12 o   28.690   0.8419 -1.569000 1.684000 
1 1 1   40   14   13 o   33.710   0.7696 -0.2126000 1.539000 
1 1 1   40   14   14 o   8.4480   2.0090 -4.128000 4.018000 
1 1 1   40   14   15 o   7.9030   2.0550 -2.600000 4.109000 
1 1 1   40   14   16 o   35.310   0.7689 1.422000 1.538000 
1 1 1   40   14   17 o   7.6460   2.1220 1.950000 4.245000 
1 1 1   40   14   18 o   7.5220   2.1310 0.6262000 4.263000 
1 1 1   40   14   19 o   14.800   1.7900 -4.842000 3.579000 
1 1 1   40   14   20 o   8.2000   2.1610 1.499000 4.322000 
1 1 1   40   14   21 o   26.240   0.9806 -1.123000 1.961000 
1 1 1   40   14   22 o   8.8630   2.2230 -0.7802000E-01 4.446000 
1 1 1   40   14   23 o   7.9070   2.1620 -1.974000 4.323000 
1 1 1   40   14   24 o   8.1740   2.0560 3.733000 4.111000 
1 1 1   40   14   25 o   14.480   1.6750 1.823000 3.350000 
1 1 1   40   14   26 o   9.8130   1.9250 5.228000 3.850000 
1 1 1   40   15    0 o   25.810   1.2510 -0.000000 0.000000 
1 1 1   40   15    1 o   6.4110   1.9000 2.044000 3.801000 
1 1 1   40   15    2 o   18.790   1.1820 -1.216000 2.364000 
1 1 1   40   15    3 o   23.830   0.9447 0.4415000 1.889000 
1 1 1   40   15    4 o   28.040   0.8464 2.108000 1.693000 
1 1 1   40   15    5 o   18.330   1.2790 -3.749000 2.559000 
1 1 1   40   15    6 o   19.260   1.2260 -4.431000 2.453000 
1 1 1   40   15    7 o   14.140   1.6550 0.4324000 3.311000 
1 1 1   40   15    8 o   20.160   1.1670 1.528000 2.333000 
1 1 1   40   15    9 o   9.1460   2.1370 1.657000 4.274000 
1 1 1   40   15   10 o   21.290   1.0920 0.3072000 2.185000 
1 1 1   40   15   11 o   13.900   1.8060 -3.144000 3.612000 
1 1 1   40   15   12 o   12.910   2.0260 -4.531000 4.051000 
1 1 1   40   15   13 f   14.520   1.7590 2.044000 3.518000 
1 1 1   40   15   14 o   8.0090   2.1840 -0.8858000 4.367000 
1 1 1   40   15   15 o   9.8140   2.1640 0.9277000 4.328000 
1 1 1   40   15   16 o   8.7950   2.0580 4.924000 4.116000 
1 1 1   40   15   17 o   16.100   1.4800 2.997000 2.960000 
1 1 1   40   15   18 o   22.800   1.0780 -1.885000 2.155000 
1 1 1   40   15   19 o   17.270   1.4220 -0.8097000 2.844000 
1 1 1   40   15   20 o   11.510   1.9790 -2.273000 3.958000 
1 1 1   40   15   21 o   8.2630   1.9910 5.510000 3.982000 
1 1 1   40   15   22 o   7.2910   2.0420 -0.7197000 4.084000 
1 1 1   40   15   23 o   6.7050   1.9480 -1.470000 3.896000 
1 1 1   40   15   24 o   6.8200   1.9760 0.3143000 3.952000 
1 1 1   40   15   25 o   10.250   1.9390 5.406000 3.877000 
1 1 1   40   16    0 o   13.680   2.5910 -0.000000 0.000000 
1 1 1   40   16    1 o   14.110   1.7370 -2.047000 3.473000 
1 1 1   40   16    2 o   8.6070   1.9360 -5.773000 3.872000 
1 1 1   40   16    3 o   29.300   0.8651 -0.7166000 1.730000 
1 1 1   40   16    4 o   8.0700   2.1260 -1.534000 4.251000 
1 1 1   40   16    5 o   9.1020   2.1660 -1.732000 4.332000 
1 1 1   40   16    6 o   7.0270   1.9870 -3.305000 3.974000 
1 1 1   40   16    7 o   20.210   1.2580 -3.111000 2.515000 
1 1 1   40   16    8 o   11.790   2.0880 0.2114000E-01 4.176000 
1 1 1   40   16    9 o   14.270   1.7820 -1.295000 3.565000 
1 1 1   40   16   10 o   26.160   0.9339 0.4036000E-01 1.868000 
1 1 1   40   16   11 o   11.450   1.9850 4.969000 3.969000 
1 1 1   40   16   12 o   5.6040   1.8180 0.4501000 3.637000 
1 1 1   40   16   13 o   20.010   1.2870 -3.289000 2.575000 
1 1 1   40   16   14 o   18.820   1.3250 -0.8817000 2.650000 
1 1 1   40   16   15 o   24.140   1.0430 -1.447000 2.086000 
1 1 1   40   16   16 o   14.490   1.7460 -1.128000 3.492000 
1 1 1   40   16   17 o   13.800   1.8360 -2.204000 3.672000 
1 1 1   40   16   18 o   16.500   1.4820 1.744000 2.964000 
1 1 1   40   16   19 o   9.3070   1.9260 -5.505000 3.851000 
1 1 1   40   16   20 o   14.490   1.6440 2.372000 3.288000 
1 1 1   40   16   21 o   11.290   1.9790 -3.662000 3.957000 
1 1 1   40   16   22 o   7.1000   2.0300 1.823000 4.060000 
1 1 1   40   16   23 o   6.4280   1.9180 -1.259000 3.836000 
1 1 1   40   16   24 o   7.1580   2.0320 0.3211000 4.064000 
1 1 1   40   17    0 o   36.990   1.1280 -0.000000 0.000000 
1 1 1   40   17    1 o   8.3970   2.1300 -3.926000 4.261000 
1 1 1   40   17    2 o   20.480   1.2920 2.391000 2.583000 
1 1 1   40   17    3 o   15.160   1.7350 0.1868000 3.469000 
1 1 1   40   17    4 o   19.490   1.3740 -1.699000 2.748000 
1 1 1   40   17    5 o   6.4320   1.9900 2.548000 3.981000 
1 1 1   40   17    6 o   29.090   0.9364 -2.034000 1.873000 
1 1 1   40   17    7 o   6.4560   1.8150 -3.923000 3.629000 
1 1 1   40   17    8 f   36.330   0.7573 -3.440000 1.515000 
1 1 1   40   17    9 f   21.010   1.2570 -5.788000 2.513000 
1 1 1   40   17   10 o   6.3890   2.0160 -0.2435000 4.032000 
1 1 1   40   17   11 o   21.250   1.2090 -1.148000 2.418000 
1 1 1   40   17   12 o   24.620   1.0240 2.363000 2.048000 
1 1 1   40   17   13 o   12.240   1.9700 -3.450000 3.940000 
1 1 1   40   17   14 o   24.010   1.0520 -0.9706000 2.104000 
1 1 1   40   17   15 f   11.780   2.0710 1.908000 4.141000 
1 1 1   40   17   16 o   7.2700   2.0110 5.169000 4.021000 
1 1 1   40   17   17 o   9.5940   2.0460 6.178000 4.091000 
1 1 1   40   17   18 o   9.9960   2.1390 3.147000 4.278000 
1 1 1   40   17   19 o   10.080   1.8440 -6.724000 3.688000 
1 1 1   40   17   20 o   7.2220   2.0410 2.778000 4.082000 
1 1 1   40   17   21 o   10.400   1.9850 5.826000 3.970000 
1 1 1   40   17   22 o   9.3410   1.9800 -3.926000 3.961000 
1 1 1   40   18    0 f   13.270   2.9820 -0.000000 0.000000 
1 1 1   40   18    1 o   12.730   2.1850 -0.5144000E-01 4.369000 
1 1 1   40   18    2 o   11.480   2.2690 -0.4045000 4.538000 
1 1 1   40   18    3 o   6.3310   2.0160 -0.7436000 4.031000 
1 1 1   40   18    4 f   12.730   2.1620 -1.783000 4.324000 
1 1 1   40   18    5 o   10.950   2.1940 2.826000 4.389000 
1 1 1   40   18    6 o   18.370   1.4150 -0.3207000 2.831000 
1 1 1   40   18    7 o   26.320   1.0030 -1.096000 2.006000 
1 1 1   40   18    8 o   22.530   1.1700 -2.006000 2.341000 
1 1 1   40   18    9 o   7.0050   1.9790 -3.349000 3.957000 
1 1 1   40   18   10 o   20.140   1.2690 0.1441000 2.538000 
1 1 1   40   18   11 o   8.6000   2.2200 0.8326000 4.440000 
1 1 1   40   18   12 o   16.730   1.5400 1.115000 3.080000 
1 1 1   40   18   13 o   13.000   2.0080 1.394000 4.016000 
1 1 1   40   18   14 o   8.3920   2.2060 1.194000 4.413000 
1 1 1   40   18   15 o   8.8220   2.1980 1.443000 4.396000 
1 1 1   40   18   16 o   10.390   2.2160 5.451000 4.431000 
1 1 1   40   18   17 o   8.3410   2.0240 5.489000 4.048000 
1 1 1   40   18   18 o   11.520   2.0240 1.053000 4.048000 
1 1 1   40   18   19 o   9.5910   2.1400 1.444000 4.281000 
1 1 1   40   18   20 o   10.350   2.0220 4.823000 4.044000 
1 1 1   40   18   21 o   7.6160   2.0320 -2.583000 4.064000 
1 1 1   40   19    0 o   7.1880   3.0980 -0.000000 0.000000 
1 1 1   40   19    1 o   21.320   1.4590 -7.912000 2.917000 
1 1 1   40   19    2 o   13.780   1.9760 -2.781000 3.952000 
1 1 1   40   19    3 o   15.250   1.7830 5.915000 3.567000 
1 1 1   40   19    4 o   13.880   1.9190 -8.090000 3.839000 
1 1 1   40   19    5 o   16.160   1.7150 -2.902000 3.429000 
1 1 1   40   19    6 o   14.440   1.8480 3.223000 3.696000 
1 1 1   40   19    7 o   11.290   1.9740 -6.744000 3.948000 
1 1 1   40   19    8 o   14.670   1.8570 5.094000 3.714000 
1 1 1   40   19    9 o   7.9300   2.1920 1.372000 4.385000 
1 1 1   40   19   10 o   7.1840   2.1140 1.488000 4.228000 
1 1 1   40   19   11 o   9.2160   2.2190 2.060000 4.438000 
1 1 1   40   19   12 o   9.6690   2.1820 -1.318000 4.364000 
1 1 1   40   19   13 o   13.120   1.9690 -3.045000 3.939000 
1 1 1   40   19   14 o   11.660   2.0910 1.310000 4.182000 
1 1 1   40   19   15 o   7.0810   2.0660 0.7593000 4.132000 
1 1 1   40   19   16 o   8.7120   2.1310 2.487000 4.262000 
1 1 1   40   19   17 o   7.4970   2.0850 0.4257000 4.170000 
1 1 1   40   19   18 o   10.630   1.8390 -6.850000 3.679000 
1 1 1   40   19   19 o   6.9390   2.0520 1.164000 4.104000 
1 1 1   40   20    0 o   5.9710   2.7070 -0.000000 0.000000 
1 1 1   40   20    1 o   5.8170   1.8890 -1.022000 3.779000 
1 1 1   40   20    2 f   14.090   1.9380 1.666000 3.877000 
1 1 1   40   20    3 o   9.2600   2.2790 2.094000 4.558000 
1 1 1   40   20    4 o   12.750   2.0920 3.830000 4.184000 
1 1 1   40   20    5 o   15.430   1.8840 -4.821000 3.767000 
1 1 1   40   20    6 o   9.3270   2.2450 3.334000 4.490000 
1 1 1   40   20    7 o   9.3810   2.2230 -1.743000 4.447000 
1 1 1   40   20    8 o   7.4460   2.1340 -1.080000 4.267000 
1 1 1   40   20    9 o   8.1930   2.2220 1.602000 4.444000 
1 1 1   40   20   10 o   7.6250   2.1560 0.4834000 4.312000 
1 1 1   40   20   11 o   6.4130   1.9950 1.272000 3.989000 
1 1 1   40   20   12 o   7.7360   2.0170 5.621000 4.034000 
1 1 1   40   20   13 o   10.770   1.8510 9.727000 3.702000 
1 1 1   40   20   14 o   10.480   2.1560 1.309000 4.312000 
1 1 1   40   20   15 o   6.8140   2.0230 0.3988000 4.045000 
1 1 1   40   20   16 o   5.8960   1.8670 1.536000 3.734000 
1 1 1   40   21    0 o   6.1010   2.7300 -0.000000 0.000000 
1 1 1   40   21    1 o   8.5960   2.0950 -4.206000 4.189000 
1 1 1   40   21    2 o   7.6060   2.0780 -3.431000 4.156000 
1 1 1   40   21    3 o   11.060   2.2600 2.180000 4.520000 
1 1 1   40   21    4 o   11.110   2.2350 1.754000 4.469000 
1 1 1   40   21    5 o   9.0130   2.2590 2.580000 4.519000 
1 1 1   40   21    6 o   7.4700   2.1210 -1.257000 4.241000 
1 1 1   40   21    7 o   9.0230   2.1440 4.729000 4.287000 
1 1 1   40   21    8 o   7.1470   2.0850 2.148000 4.170000 
1 1 1   40   21    9 o   8.4270   2.1690 -0.8842000 4.338000 
1 1 1   40   21   10 o   6.2960   1.9580 -0.7704000 3.915000 
1 1 1   40   21   11 o   6.2060   1.9170 -1.082000 3.834000 
1 1 1   40   21   12 o   9.3960   2.1520 -0.7481000 4.305000 
1 1 1   40   21   13 o   8.4530   2.0770 4.653000 4.154000 
1 1 1   40   21   14 o   8.7970   2.1820 3.045000 4.364000 
1 1 1   40   22    0 o   11.010   2.9930 -0.000000 0.000000 
1 1 1   40   22    1 o   9.9350   2.1410 2.399000 4.281000 
1 1 1   40   22    2 o   6.1310   1.9150 -1.632000 3.829000 
1 1 1   40   22    3 o   7.8190   1.9500 -5.132000 3.900000 
1 1 1   40   22    4 o   8.2260   2.2090 2.677000 4.419000 
1 1 1   40   22    5 o   7.7710   2.1810 1.061000 4.361000 
1 1 1   40   22    6 o   6.0920   1.9220 -0.8118000 3.845000 
1 1 1   40   22    7 o   6.7100   2.0260 0.5903000 4.053000 
1 1 1   40   22    8 o   7.1770   1.9970 -2.474000 3.993000 
1 1 1   40   22    9 o   7.8210   2.0910 3.245000 4.183000 
1 1 1   40   22   10 o   7.7760   1.8820 -5.002000 3.763000 
1 1 1   40   23    0 o   7.5680   2.9690 -0.000000 0.000000 
1 1 1   40   23    1 o   8.2980   1.8970 5.939000 3.794000 
1 1 1   40   23    2 o   9.1250   2.1410 1.346000 4.283000 
1 1 1   40   23    3 o   9.9270   1.9990 5.072000 3.997000 
1 1 1   40   23    4 f   6.9200   2.1250 0.7263000 4.251000 
1 1 1   41    0    1 o   16.230   1.0040 -0.000000 0.000000 
1 1 1   41    0    2 o   18.580   0.8730 -0.000000 0.000000 
1 1 1   41    0    3 o   11.190   1.3870 -0.000000 0.000000 
1 1 1   41    0    4 o   37.190   0.7167 -0.000000 0.000000 
1 1 1   41    0    5 o   59.750   0.9376 -0.000000 0.000000 
1 1 1   41    0    6 o   26.050   0.7325 -0.000000 0.000000 
1 1 1   41    0    7 o   22.760   0.8207 -0.000000 0.000000 
1 1 1   41    0    8 o   4.5660   1.9670 -0.000000 0.000000 
1 1 1   41    0    9 o   43.830   0.7688 -0.000000 0.000000 
1 1 1   41    0   10 o   4.2640   1.8810 -0.000000 0.000000 
1 1 1   41    0   11 o   25.620   0.7455 -0.000000 0.000000 
1 1 1   41    0   12 o   21.840   0.8381 -0.000000 0.000000 
1 1 1   41    0   13 o   21.550   0.8590 -0.000000 0.000000 
1 1 1   41    0   14 o   13.610   1.2820 -0.000000 0.000000 
1 1 1   41    0   15 o   9.7040   1.7930 -0.000000 0.000000 
1 1 1   41    0   16 o   44.920   0.7947 -0.000000 0.000000 
1 1 1   41    0   17 o   17.260   1.1040 -0.000000 0.000000 
1 1 1   41    0   18 o   64.450   1.0200 -0.000000 0.000000 
1 1 1   41    0   19 o   12.120   1.5550 -0.000000 0.000000 
1 1 1   41    0   20 o   14.110   1.3380 -0.000000 0.000000 
1 1 1   41    0   21 o   70.280   1.1050 -0.000000 0.000000 
1 1 1   41    0   22 o   24.980   0.9379 -0.000000 0.000000 
1 1 1   41    0   23 o   51.600   0.9110 -0.000000 0.000000 
1 1 1   41    0   24 o   5.2940   2.2250 -0.000000 0.000000 
1 1 1   41    0   25 o   28.710   0.8975 -0.000000 0.000000 
1 1 1   41    0   26 o   14.270   1.5300 -0.000000 0.000000 
1 1 1   41    0   27 o   27.400   0.8973 -0.000000 0.000000 
1 1 1   41    0   28 o   8.0110   2.3780 -0.000000 0.000000 
1 1 1   41    0   29 o   7.2580   2.2520 -0.000000 0.000000 
1 1 1   41    0   30 o   10.490   3.9280 -0.000000 0.000000 
1 1 1   41    0   31 o   13.080   3.6380 -0.000000 0.000000 
1 1 1   41    0   32 o   15.870   3.2820 -0.000000 0.000000 
1 1 1   41    0   33 o   6.2210   2.9360 -0.000000 0.000000 
1 1 1   41    1    0 o   28.960   0.5739 -0.000000 0.000000 
1 1 1   41    1    1 o   63.800   0.5714 6.765000 1.143000 
1 1 1   41    1    2 o   69.340   0.6125 2.187000 1.225000 
1 1 1   41    1    3 o   16.670   0.5434 -1.407000 1.087000 
1 1 1   41    1    4 o   29.500   0.4099 8.288000 0.8197000 
1 1 1   41    1    5 o   35.620   0.4069 6.876000 0.8138000 
1 1 1   41    1    6 o   39.790   0.4187 -0.3274000 0.8374000 
1 1 1   41    1    7 o   55.270   0.5126 9.482000 1.025000 
1 1 1   41    1    8 o   13.010   0.7070 -3.211000 1.414000 
1 1 1   41    1    9 f   24.300   0.4552 -10.13000 0.9103000 
1 1 1   41    1   10 o   54.460   0.5065 0.6955000 1.013000 
1 1 1   41    1   11 o   51.890   0.4873 -0.6646000 0.9746000 
1 1 1   41    1   12 o   12.130   0.8100 4.154000 1.620000 
1 1 1   41    1   13 o   41.160   0.4331 -0.2225000 0.8663000 
1 1 1   41    1   14 o   43.930   0.5025 0.9240000 1.005000 
1 1 1   41    1   15 o   61.800   0.6246 5.497000 1.249000 
1 1 1   41    1   16 o   12.090   1.0210      ?      ? 
1 1 1   41    1   17 o   47.630   0.5294 -0.7984000 1.059000 
1 1 1   41    1   18 o   33.930   0.4841 1.332000 0.9682000 
1 1 1   41    1   19 o   37.890   0.4943 -1.247000 0.9886000 
1 1 1   41    1   20 o   25.590   0.5350 -0.6752000 1.070000 
1 1 1   41    1   21 o   24.590   0.6477 -0.9299000 1.295000 
1 1 1   41    1   22 o   5.7090   1.5660 2.365000 3.131000 
1 1 1   41    1   23 o   52.860   0.6567 -0.3127000 1.313000 
1 1 1   41    1   24 o   6.6180   1.5950 -4.037000 3.189000 
1 1 1   41    1   25 o   24.410   1.0060      ?      ? 
1 1 1   41    1   26 o   14.370   1.1010 -1.621000 2.201000 
1 1 1   41    1   27 o   9.8690   1.5040 -5.473000 3.009000 
1 1 1   41    1   28 o   5.7230   1.6490 -1.246000 3.299000 
1 1 1   41    1   29 o   24.070   0.5939 0.3784000 1.188000 
1 1 1   41    1   30 o   12.060   2.1620 5.117000 4.324000 
1 1 1   41    1   31 o   6.1080   2.0560 -0.6579000 4.113000 
1 1 1   41    1   32 o   11.120   2.6840 1.034000 5.368000 
1 1 1   41    1   33 o   10.480   2.6820 0.1371000 5.364000 
1 1 1   41    2    0 o   98.020   1.4630 -0.000000 0.000000 
1 1 1   41    2    1 o   27.660   0.4961 -0.9616000 0.9921000 
1 1 1   41    2    2 o   21.510   0.7692      ?      ? 
1 1 1   41    2    3 f   35.490   0.6935      ?      ? 
1 1 1   41    2    4 o   39.290   0.7070      ?      ? 
1 1 1   41    2    5 o   80.100   0.8535 3.286000 1.707000 
1 1 1   41    2    6 o   42.760   0.5240 -2.271000 1.048000 
1 1 1   41    2    7 o   32.230   0.4865 -0.1824000 0.9730000 
1 1 1   41    2    8 o   61.270   0.6760 -4.036000 1.352000 
1 1 1   41    2    9 o   35.080   0.5039 0.8331000 1.008000 
1 1 1   41    2   10 o   61.510   0.6804 1.379000 1.361000 
1 1 1   41    2   11 o   44.990   0.5521 2.880000 1.104000 
1 1 1   41    2   12 o   39.850   0.5251 -0.2302000E-01 1.050000 
1 1 1   41    2   13 o   14.840   0.7973 -6.007000 1.595000 
1 1 1   41    2   14 o   45.230   0.5075 3.876000 1.015000 
1 1 1   41    2   15 o   27.900   0.4804 -2.589000 0.9609000 
1 1 1   41    2   16 o   25.070   0.5130 -3.256000 1.026000 
1 1 1   41    2   17 o   4.2890   1.3160 0.4719000 2.632000 
1 1 1   41    2   18 o   52.910   0.5698 -2.254000 1.140000 
1 1 1   41    2   19 o   29.790   0.5134 -1.722000 1.027000 
1 1 1   41    2   20 o   31.210   0.5157 1.342000 1.031000 
1 1 1   41    2   21 o   19.430   0.6198 -3.211000 1.240000 
1 1 1   41    2   22 o   24.740   0.6113 1.110000 1.223000 
1 1 1   41    2   23 o   7.1730   1.4310 3.656000 2.861000 
1 1 1   41    2   24 o   6.9360   2.4600      ?      ? 
1 1 1   41    2   25 o   21.880   0.6911 -2.438000 1.382000 
1 1 1   41    2   26 o   28.850   0.6069 -0.5577000 1.214000 
1 1 1   41    2   27 o   8.0310   1.5600 1.412000 3.119000 
1 1 1   41    2   28 o   28.900   0.5840 -1.896000 1.168000 
1 1 1   41    2   29 f   9.8150   1.4380 -0.3654000E-01 2.877000 
1 1 1   41    2   30 o   13.210   2.0750 8.701000 4.150000 
1 1 1   41    2   31 o   17.010   1.6830 2.231000 3.366000 
1 1 1   41    2   32 o   20.780   1.3280 -0.4930000 2.656000 
1 1 1   41    2   33 o   11.130   2.3180 7.947000 4.636000 
1 1 1   41    3    0 o   93.010   1.3940 -0.000000 0.000000 
1 1 1   41    3    1 o   35.940   0.5034 -2.192000 1.007000 
1 1 1   41    3    2 o   24.850   0.5353 5.193000 1.071000 
1 1 1   41    3    3 o   34.590   0.4947 1.385000 0.9894000 
1 1 1   41    3    4 o   18.140   0.6190 -0.8779000E-01 1.238000 
1 1 1   41    3    5 o   28.120   0.4912 4.529000 0.9825000 
1 1 1   41    3    6 o   19.910   0.5902 -5.870000 1.180000 
1 1 1   41    3    7 o   35.710   0.4987 -0.6903000 0.9974000 
1 1 1   41    3    8 o   37.850   0.5103 -2.918000 1.021000 
1 1 1   41    3    9 o   33.800   0.5111 3.553000 1.022000 
1 1 1   41    3   10 o   29.380   0.5230 -4.375000 1.046000 
1 1 1   41    3   11 o   29.970   0.7365      ?      ? 
1 1 1   41    3   12 o   13.140   0.9158 -2.281000 1.832000 
1 1 1   41    3   13 o   37.170   0.5311 3.711000 1.062000 
1 1 1   41    3   14 f   46.080   0.5685 3.607000 1.137000 
1 1 1   41    3   15 o   50.330   0.5991 1.397000 1.198000 
1 1 1   41    3   16 o   54.560   0.6319 -0.4077000 1.264000 
1 1 1   41    3   17 o   61.270   0.6918 -1.288000 1.384000 
1 1 1   41    3   18 o   50.940   0.6161 -3.077000 1.232000 
1 1 1   41    3   19 o   31.420   0.5728 -2.275000 1.146000 
1 1 1   41    3   20 o   15.010   0.9648 0.1761000 1.930000 
1 1 1   41    3   21 o   25.730   0.6493 -2.325000 1.299000 
1 1 1   41    3   22 o   17.890   0.9615 -1.887000 1.923000 
1 1 1   41    3   23 o   54.850   0.6143 -2.067000 1.229000 
1 1 1   41    3   24 o   28.960   0.6189 0.1497000 1.238000 
1 1 1   41    3   25 o   16.990   0.9945 4.556000 1.989000 
1 1 1   41    3   26 o   5.3380   1.5930 -0.9199000 3.186000 
1 1 1   41    3   27 f   11.290   1.5400 -2.503000 3.080000 
1 1 1   41    3   28 o   24.770   0.7035 3.207000 1.407000 
1 1 1   41    3   29 o   7.3060   1.6500 -1.092000 3.300000 
1 1 1   41    3   30 o   17.970   0.8451 1.012000 1.690000 
1 1 1   41    3   31 o   18.190   0.8987 -1.853000 1.797000 
1 1 1   41    3   32 o   7.4320   1.3930 -7.427000 2.786000 
1 1 1   41    3   33 o   9.0370   1.6190 3.328000 3.239000 
1 1 1   41    4    0 o   14.190   1.1450 -0.000000 0.000000 
1 1 1   41    4    1 o   13.250   0.9040 -4.041000 1.808000 
1 1 1   41    4    2 o   32.550   0.5179 9.945000 1.036000 
1 1 1   41    4    3 o   30.960   0.5053 -4.641000 1.011000 
1 1 1   41    4    4 o   22.670   0.5548 1.802000 1.110000 
1 1 1   41    4    5 o   28.280   0.5202 -5.601000 1.040000 
1 1 1   41    4    6 o   24.110   0.5492 -0.5670000 1.098000 
1 1 1   41    4    7 o   7.5160   1.4470 -0.9978000 2.894000 
1 1 1   41    4    8 o   18.970   0.6667 2.911000 1.333000 
1 1 1   41    4    9 o   20.290   0.6316 -2.472000 1.263000 
1 1 1   41    4   10 o   10.580   1.1550 -0.3005000 2.310000 
1 1 1   41    4   11 o   38.480   0.5310 -1.553000 1.062000 
1 1 1   41    4   12 o   44.180   0.5614 -2.050000 1.123000 
1 1 1   41    4   13 f   15.890   0.8753 5.689000 1.751000 
1 1 1   41    4   14 o   38.100   0.5459 4.912000 1.092000 
1 1 1   41    4   15 o   4.9410   1.4840 0.6843000 2.968000 
1 1 1   41    4   16 o   29.590   0.5665 -2.357000 1.133000 
1 1 1   41    4   17 o   29.450   0.5818 -3.504000 1.164000 
1 1 1   41    4   18 o   33.880   0.5719 -2.315000 1.144000 
1 1 1   41    4   19 o   38.670   0.5775 -4.053000 1.155000 
1 1 1   41    4   20 o   30.050   0.6126 -1.407000 1.225000 
1 1 1   41    4   21 o   18.140   0.9385 4.326000 1.877000 
1 1 1   41    4   22 o   14.530   1.1630 0.2042000 2.326000 
1 1 1   41    4   23 o   30.790   0.6191 -2.645000 1.238000 
1 1 1   41    4   24 o   38.440   0.5896 -0.7857000 1.179000 
1 1 1   41    4   25 o   21.380   0.8319 0.3777000 1.664000 
1 1 1   41    4   26 o   11.570   1.5300 -2.842000 3.060000 
1 1 1   41    4   27 o   7.4370   1.7900 -1.895000 3.580000 
1 1 1   41    4   28 o   10.160   1.6390 1.678000 3.278000 
1 1 1   41    4   29 o   6.2730   1.7170 -1.520000 3.435000 
1 1 1   41    4   30 o   21.500   0.7735 0.2329000 1.547000 
1 1 1   41    4   31 o   11.290   1.4270 3.115000 2.854000 
1 1 1   41    4   32 o   11.660   1.5020 3.845000 3.004000 
1 1 1   41    5    0 o   17.370   1.0260 -0.000000 0.000000 
1 1 1   41    5    1 o   24.440   0.5749 1.567000 1.150000 
1 1 1   41    5    2 o   41.520   0.5463 3.969000 1.093000 
1 1 1   41    5    3 o   14.640   0.8788 -4.879000 1.758000 
1 1 1   41    5    4 o   11.440   1.0650 0.5382000 2.129000 
1 1 1   41    5    5 o   17.910   0.7328 5.539000 1.466000 
1 1 1   41    5    6 o   20.250   0.7488 -12.89000 1.498000 
1 1 1   41    5    7 o   28.600   0.5294 3.705000 1.059000 
1 1 1   41    5    8 o   45.250   0.5634 0.2286000 1.127000 
1 1 1   41    5    9 o   38.520   0.5372 0.2354000 1.074000 
1 1 1   41    5   10 o   11.270   1.1830 -1.472000 2.365000 
1 1 1   41    5   11 o   20.400   0.6827 2.409000 1.365000 
1 1 1   41    5   12 o   7.4270   1.5880 0.5351000 3.176000 
1 1 1   41    5   13 f   15.040   0.9793 -6.677000 1.959000 
1 1 1   41    5   14 o   37.380   0.5637 5.159000 1.127000 
1 1 1   41    5   15 o   39.830   0.5644 -1.219000 1.129000 
1 1 1   41    5   16 o   40.330   0.5738 -1.394000 1.148000 
1 1 1   41    5   17 o   50.600   0.6264 3.129000 1.253000 
1 1 1   41    5   18 o   69.850   0.7805 -1.149000 1.561000 
1 1 1   41    5   19 o   41.350   0.6095 0.6652000 1.219000 
1 1 1   41    5   20 o   28.130   0.6858 -3.102000 1.372000 
1 1 1   41    5   21 o   30.050   0.6237 -0.3162000 1.247000 
1 1 1   41    5   22 o   25.870   0.6968 0.2978000 1.394000 
1 1 1   41    5   23 o   32.670   0.6269 -1.112000 1.254000 
1 1 1   41    5   24 o   26.680   0.7204 -0.5869000E-01 1.441000 
1 1 1   41    5   25 o   14.110   1.2820 -3.837000 2.565000 
1 1 1   41    5   26 o   6.0780   1.6820 2.151000 3.364000 
1 1 1   41    5   27 o   24.590   0.8290 1.629000 1.658000 
1 1 1   41    5   28 o   10.950   1.6730 -6.175000 3.346000 
1 1 1   41    5   29 o   8.1430   1.8670 -1.209000 3.733000 
1 1 1   41    5   30 o   12.970   1.5280 3.740000 3.056000 
1 1 1   41    5   31 o   18.490   0.9278 -2.678000 1.856000 
1 1 1   41    5   32 o   5.1840   1.5580 -3.586000 3.116000 
1 1 1   41    6    0 o   29.520   0.8068 -0.000000 0.000000 
1 1 1   41    6    1 o   13.370   1.0240 1.337000 2.048000 
1 1 1   41    6    2 o   45.410   0.5772 -4.137000 1.154000 
1 1 1   41    6    3 o   21.920   0.6582 0.2901000 1.316000 
1 1 1   41    6    4 o   14.110   0.9353 -0.7616000 1.871000 
1 1 1   41    6    5 o   16.390   0.8180 -2.020000 1.636000 
1 1 1   41    6    6 o   30.900   0.5504 0.1709000 1.101000 
1 1 1   41    6    7 o   17.930   0.7925 -4.363000 1.585000 
1 1 1   41    6    8 f   28.370   0.5573 1.054000 1.115000 
1 1 1   41    6    9 o   18.200   0.7701 1.101000 1.540000 
1 1 1   41    6   10 o   30.690   0.5906 2.353000 1.181000 
1 1 1   41    6   11 o   23.520   0.6627 -4.320000 1.325000 
1 1 1   41    6   12 o   17.930   1.1530      ?      ? 
1 1 1   41    6   13 o   38.660   0.5841 0.5654000 1.168000 
1 1 1   41    6   14 o   20.260   0.7646 -2.011000 1.529000 
1 1 1   41    6   15 o   47.940   0.6182 -0.1391000 1.236000 
1 1 1   41    6   16 o   25.650   0.6863 1.138000 1.373000 
1 1 1   41    6   17 o   23.300   0.7718 -5.970000 1.544000 
1 1 1   41    6   18 o   8.0580   1.6810 3.914000 3.362000 
1 1 1   41    6   19 o   6.2880   1.6590 -4.184000 3.318000 
1 1 1   41    6   20 o   36.940   0.5853 -0.5759000E-01 1.171000 
1 1 1   41    6   21 o   32.840   0.6317 3.677000 1.263000 
1 1 1   41    6   22 o   32.390   0.6397 -2.080000 1.279000 
1 1 1   41    6   23 o   27.660   0.7123 -3.946000 1.425000 
1 1 1   41    6   24 o   27.190   0.7386 0.8618000 1.477000 
1 1 1   41    6   25 o   10.720   1.6590 6.463000 3.318000 
1 1 1   41    6   26 o   25.100   0.8381 1.548000 1.676000 
1 1 1   41    6   27 o   27.220   0.7794 0.6341000 1.559000 
1 1 1   41    6   28 o   6.5420   1.7420 2.615000 3.484000 
1 1 1   41    6   29 o   8.0320   1.9390 0.2853000 3.878000 
1 1 1   41    6   30 o   12.020   1.6440 2.198000 3.288000 
1 1 1   41    6   31 o   10.630   1.6890 -4.226000 3.377000 
1 1 1   41    6   32 o   9.2290   1.6490 2.904000 3.297000 
1 1 1   41    7    0 o   14.440   1.3910 -0.000000 0.000000 
1 1 1   41    7    1 o   19.920   0.7726 4.299000 1.545000 
1 1 1   41    7    2 o   35.860   0.5761 -4.500000 1.152000 
1 1 1   41    7    3 o   16.720   0.8779 -3.346000 1.756000 
1 1 1   41    7    4 o   18.890   0.7966 0.7710000E-01 1.593000 
1 1 1   41    7    5 o   26.580   0.6243 2.371000 1.249000 
1 1 1   41    7    6 o   5.9620   1.6030 -1.546000 3.207000 
1 1 1   41    7    7 o   23.830   0.6777 -3.128000 1.355000 
1 1 1   41    7    8 o   17.540   0.8457 -1.599000 1.691000 
1 1 1   41    7    9 o   37.410   0.5752 -2.934000 1.150000 
1 1 1   41    7   10 o   6.5550   1.6760 -0.8703000 3.352000 
1 1 1   41    7   11 o   28.420   0.6126 2.686000 1.225000 
1 1 1   41    7   12 o   34.950   0.5983 -3.243000 1.197000 
1 1 1   41    7   13 o   9.3490   1.4520 7.834000 2.903000 
1 1 1   41    7   14 o   56.240   0.6750 1.893000 1.350000 
1 1 1   41    7   15 o   22.410   0.8126 6.769000 1.625000 
1 1 1   41    7   16 o   16.400   1.0190 2.613000 2.039000 
1 1 1   41    7   17 o   36.680   0.5864 -1.795000 1.173000 
1 1 1   41    7   18 f   8.0440   1.9490 0.1945000 3.899000 
1 1 1   41    7   19 o   22.710   0.7991 0.6170000 1.598000 
1 1 1   41    7   20 o   36.450   0.6206 -2.231000 1.241000 
1 1 1   41    7   21 o   23.610   0.8506 3.365000 1.701000 
1 1 1   41    7   22 o   31.610   0.7000 0.9978000 1.400000 
1 1 1   41    7   23 o   19.840   1.0020 0.2487000 2.004000 
1 1 1   41    7   24 o   30.930   0.7254 -1.005000 1.451000 
1 1 1   41    7   25 o   19.810   1.0610 0.9906000 2.121000 
1 1 1   41    7   26 o   21.130   0.9767 -1.799000 1.953000 
1 1 1   41    7   27 o   10.230   2.0930 -0.8164000 4.186000 
1 1 1   41    7   28 o   10.910   1.8760 -6.952000 3.753000 
1 1 1   41    7   29 o   21.470   1.0240 3.621000 2.049000 
1 1 1   41    7   30 o   5.5080   1.7190 -3.207000 3.439000 
1 1 1   41    7   31 o   9.0250   1.8370 -1.344000 3.674000 
1 1 1   41    8    0 o   50.530   0.8945 -0.000000 0.000000 
1 1 1   41    8    1 o   18.550   0.8678 -3.142000 1.736000 
1 1 1   41    8    2 o   19.430   0.8281 2.463000 1.656000 
1 1 1   41    8    3 o   22.330   0.7385 2.538000 1.477000 
1 1 1   41    8    4 o   28.770   0.6421 1.553000 1.284000 
1 1 1   41    8    5 o   16.620   0.9452 -1.405000 1.890000 
1 1 1   41    8    6 o   55.830   0.6711 4.152000 1.342000 
1 1 1   41    8    7 o   13.770   1.1940 1.917000 2.387000 
1 1 1   41    8    8 o   41.790   0.6012 3.064000 1.202000 
1 1 1   41    8    9 o   35.100   0.6052 0.1590000 1.210000 
1 1 1   41    8   10 o   19.050   0.8524 -0.7662000 1.705000 
1 1 1   41    8   11 o   14.250   1.1380 0.4822000 2.276000 
1 1 1   41    8   12 o   43.350   0.6184 0.5930000 1.237000 
1 1 1   41    8   13 o   23.280   0.7199 -0.3536000E-01 1.440000 
1 1 1   41    8   14 o   33.790   0.5998 -3.725000 1.200000 
1 1 1   41    8   15 o   20.750   0.8326 -0.6774000 1.665000 
1 1 1   41    8   16 o   54.000   0.6285 -1.450000 1.257000 
1 1 1   41    8   17 o   51.780   0.6235 -0.6573000 1.247000 
1 1 1   41    8   18 o   20.890   1.0460 0.4772000 2.091000 
1 1 1   41    8   19 o   25.860   0.7887 -1.475000 1.577000 
1 1 1   41    8   20 o   12.620   1.5670 1.992000 3.134000 
1 1 1   41    8   21 o   30.260   0.7190 -2.077000 1.438000 
1 1 1   41    8   22 o   31.950   0.7280 1.645000 1.456000 
1 1 1   41    8   23 o   12.130   1.7550 4.067000 3.511000 
1 1 1   41    8   24 o   11.110   1.8850 1.224000 3.770000 
1 1 1   41    8   25 o   23.510   0.9607 -0.6474000 1.921000 
1 1 1   41    8   26 o   16.970   1.6420      ?      ? 
1 1 1   41    8   27 o   16.380   1.3300 1.869000 2.659000 
1 1 1   41    8   28 o   18.240   1.1350 -2.548000 2.269000 
1 1 1   41    8   29 o   9.6810   1.9660 -1.643000 3.933000 
1 1 1   41    8   30 o   8.4320   1.6460 5.503000 3.291000 
1 1 1   41    8   31 o   9.1630   1.8480 -4.022000 3.697000 
1 1 1   41    9    0 o   9.0750   2.4950 -0.000000 0.000000 
1 1 1   41    9    1 o   27.400   0.6940 -6.747000 1.388000 
1 1 1   41    9    2 o   21.100   0.8311 -4.202000 1.662000 
1 1 1   41    9    3 o   41.880   0.6233 -1.122000 1.247000 
1 1 1   41    9    4 o   11.490   1.5190 2.216000 3.037000 
1 1 1   41    9    5 o   35.370   0.6317 -0.8639000 1.263000 
1 1 1   41    9    6 o   20.120   0.9028 4.584000 1.806000 
1 1 1   41    9    7 o   13.680   1.3010 -4.133000 2.602000 
1 1 1   41    9    8 f   8.4620   1.7140 4.239000 3.427000 
1 1 1   41    9    9 o   28.550   0.6961 -2.999000 1.392000 
1 1 1   41    9   10 o   31.920   0.6098 3.746000 1.220000 
1 1 1   41    9   11 o   26.190   0.6930 -3.597000 1.386000 
1 1 1   41    9   12 o   34.370   0.6064 -2.964000 1.213000 
1 1 1   41    9   13 o   14.670   1.1670 -1.415000 2.333000 
1 1 1   41    9   14 o   31.060   0.6599 -0.6942000 1.320000 
1 1 1   41    9   15 o   17.220   1.0710 -1.834000 2.141000 
1 1 1   41    9   16 o   34.610   0.6558 1.036000 1.312000 
1 1 1   41    9   17 o   38.970   0.6339 0.5797000 1.268000 
1 1 1   41    9   18 o   25.910   0.8085 1.990000 1.617000 
1 1 1   41    9   19 o   27.030   0.8029 -1.898000 1.606000 
1 1 1   41    9   20 o   15.720   1.3740 -5.038000 2.748000 
1 1 1   41    9   21 o   19.840   1.0700 -0.9109000 2.141000 
1 1 1   41    9   22 o   7.5520   1.9040 3.553000 3.809000 
1 1 1   41    9   23 o   10.410   1.8550 5.461000 3.709000 
1 1 1   41    9   24 o   25.780   0.9078 1.919000 1.816000 
1 1 1   41    9   25 f   7.9320   1.9450 3.231000 3.889000 
1 1 1   41    9   26 f   13.530   1.6830 2.266000 3.365000 
1 1 1   41    9   27 o   9.9010   2.0100 -2.715000 4.021000 
1 1 1   41    9   28 o   16.530   1.3540 -1.743000 2.707000 
1 1 1   41    9   29 o   17.030   1.3150 3.401000 2.630000 
1 1 1   41    9   30 o   5.7600   1.7250 1.262000 3.449000 
1 1 1   41   10    0 o   42.770   0.9060 -0.000000 0.000000 
1 1 1   41   10    1 o   60.660   0.7246 0.2283000 1.449000 
1 1 1   41   10    2 o   22.040   0.8380 -0.3368000 1.676000 
1 1 1   41   10    3 o   30.970   0.6838 -1.419000 1.368000 
1 1 1   41   10    4 o   7.0700   2.6250      ?      ? 
1 1 1   41   10    5 o   47.470   0.6540 2.114000 1.308000 
1 1 1   41   10    6 o   41.990   0.6592 -4.797000 1.318000 
1 1 1   41   10    7 o   12.510   1.4110 -2.125000 2.823000 
1 1 1   41   10    8 o   51.470   0.6158 1.777000 1.232000 
1 1 1   41   10    9 o   34.800   0.6122 -0.6917000E-01 1.224000 
1 1 1   41   10   10 o   55.150   0.6374 0.5539000 1.275000 
1 1 1   41   10   11 o   24.180   0.7879 2.224000 1.576000 
1 1 1   41   10   12 o   34.270   0.6478 -1.038000 1.296000 
1 1 1   41   10   13 o   34.140   0.6641 1.799000 1.328000 
1 1 1   41   10   14 o   52.700   0.6475 -3.811000 1.295000 
1 1 1   41   10   15 o   33.740   0.6867 -1.927000 1.373000 
1 1 1   41   10   16 o   74.740   0.7819 0.2929000 1.564000 
1 1 1   41   10   17 o   29.990   0.7576 0.2575000 1.515000 
1 1 1   41   10   18 o   34.500   0.7170 2.294000 1.434000 
1 1 1   41   10   19 o   21.160   1.0440 -1.631000 2.088000 
1 1 1   41   10   20 f   25.050   0.9128 -3.940000 1.826000 
1 1 1   41   10   21 o   16.010   1.4730 2.662000 2.947000 
1 1 1   41   10   22 o   15.130   1.5720 -3.251000 3.144000 
1 1 1   41   10   23 o   18.640   1.3400 1.799000 2.680000 
1 1 1   41   10   24 o   14.170   1.7120 -4.947000 3.424000 
1 1 1   41   10   25 o   19.500   1.2220 -0.7381000E-01 2.445000 
1 1 1   41   10   26 o   9.7980   1.9610 -6.059000 3.923000 
1 1 1   41   10   27 o   13.050   1.8150 0.3911000 3.630000 
1 1 1   41   10   28 o   6.5190   1.9310 -2.019000 3.863000 
1 1 1   41   10   29 o   10.510   1.8860 -4.679000 3.773000 
1 1 1   41   10   30 o   10.730   2.1110 -5.294000 4.222000 
1 1 1   41   11    0 o   6.6050   2.6550 -0.000000 0.000000 
1 1 1   41   11    1 o   11.060   1.7540 2.561000 3.508000 
1 1 1   41   11    2 o   35.490   0.6921 2.631000 1.384000 
1 1 1   41   11    3 o   19.410   0.9578 -0.7053000 1.916000 
1 1 1   41   11    4 o   30.180   0.6955 3.166000 1.391000 
1 1 1   41   11    5 o   25.820   0.7576 -1.834000 1.515000 
1 1 1   41   11    6 o   14.910   1.2440 -0.6663000 2.489000 
1 1 1   41   11    7 o   33.920   0.6575 1.132000 1.315000 
1 1 1   41   11    8 o   5.9320   1.7150 -3.668000 3.429000 
1 1 1   41   11    9 f   57.430   0.6618 2.938000 1.324000 
1 1 1   41   11   10 o   19.930   0.9592 -1.433000 1.918000 
1 1 1   41   11   11 o   21.200   0.9087 1.792000 1.817000 
1 1 1   41   11   12 o   41.260   0.6540 3.855000 1.308000 
1 1 1   41   11   13 f   49.960   0.8432      ?      ? 
1 1 1   41   11   14 o   16.220   1.3130 0.9288000 2.626000 
1 1 1   41   11   15 o   10.120   1.7360 7.223000 3.471000 
1 1 1   41   11   16 o   10.300   2.0210 0.1408000 4.042000 
1 1 1   41   11   17 o   15.120   1.4720 0.1218000E-01 2.944000 
1 1 1   41   11   18 o   14.290   1.6410 1.268000 3.282000 
1 1 1   41   11   19 o   15.920   1.6090 5.514000 3.218000 
1 1 1   41   11   20 o   29.100   0.8802 -0.2504000 1.760000 
1 1 1   41   11   21 o   8.5940   2.0910 2.769000 4.182000 
1 1 1   41   11   22 o   6.0500   1.9180 -0.6427000E-01 3.836000 
1 1 1   41   11   23 o   9.0220   2.1620 2.256000 4.324000 
1 1 1   41   11   24 o   11.890   2.0100 -2.940000 4.020000 
1 1 1   41   11   25 o   8.3740   2.1550 -0.6547000 4.310000 
1 1 1   41   11   26 o   13.710   1.8190 -2.485000 3.637000 
1 1 1   41   11   27 o   7.0700   2.0110 1.199000 4.022000 
1 1 1   41   11   28 o   8.1300   2.0950 -1.758000 4.191000 
1 1 1   41   11   29 o   7.6560   2.0450 -1.080000 4.089000 
1 1 1   41   12    0 o   5.5620   2.3930 -0.000000 0.000000 
1 1 1   41   12    1 o   14.340   1.2560 0.8965000 2.513000 
1 1 1   41   12    2 o   36.970   0.6643 -2.022000 1.329000 
1 1 1   41   12    3 o   12.340   1.6200 -2.599000 3.240000 
1 1 1   41   12    4 o   39.010   0.6503 -1.278000 1.301000 
1 1 1   41   12    5 o   40.920   0.6508 0.4854000 1.302000 
1 1 1   41   12    6 o   26.800   0.7864 0.1123000 1.573000 
1 1 1   41   12    7 o   37.470   0.6691 -2.465000 1.338000 
1 1 1   41   12    8 o   7.5290   1.9170 1.837000 3.834000 
1 1 1   41   12    9 o   25.960   0.8142 0.4323000 1.628000 
1 1 1   41   12   10 o   35.640   0.6890 0.3941000 1.378000 
1 1 1   41   12   11 o   59.480   0.6929 0.5109000 1.386000 
1 1 1   41   12   12 o   47.110   0.6641 -0.1411000 1.328000 
1 1 1   41   12   13 o   34.570   0.7208 -1.264000 1.442000 
1 1 1   41   12   14 o   13.680   1.7420 7.791000 3.483000 
1 1 1   41   12   15 o   31.460   0.8018 -1.289000 1.604000 
1 1 1   41   12   16 o   17.360   1.3340 0.4140000 2.668000 
1 1 1   41   12   17 o   18.940   1.2670 2.670000 2.534000 
1 1 1   41   12   18 o   12.850   1.8840 -1.764000 3.767000 
1 1 1   41   12   19 o   14.340   1.7730 0.2465000 3.547000 
1 1 1   41   12   20 f   9.9120   2.0490 4.890000 4.099000 
1 1 1   41   12   21 o   10.600   2.2460 0.1974000E-01 4.492000 
1 1 1   41   12   22 o   14.940   1.7390 -3.310000 3.478000 
1 1 1   41   12   23 o   8.3760   2.2290 -1.956000 4.457000 
1 1 1   41   12   24 f   14.080   1.8550 1.056000 3.709000 
1 1 1   41   12   25 o   21.130   1.1960 -2.508000 2.392000 
1 1 1   41   12   26 o   9.0250   2.2000 0.2522000 4.400000 
1 1 1   41   12   27 o   8.3150   2.1410 -0.7205000 4.281000 
1 1 1   41   12   28 o   11.250   2.0020 1.117000 4.003000 
1 1 1   41   13    0 o   32.440   0.9538 -0.000000 0.000000 
1 1 1   41   13    1 o   53.110   0.6076 -0.2828000 1.215000 
1 1 1   41   13    2 o   27.790   0.7396 0.1026000E-02 1.479000 
1 1 1   41   13    3 f   22.220   0.8747 -2.295000 1.749000 
1 1 1   41   13    4 o   39.670   0.6215 -0.3882000 1.243000 
1 1 1   41   13    5 o   10.130   1.8330 3.935000 3.665000 
1 1 1   41   13    6 o   13.340   1.4940 -0.2843000 2.988000 
1 1 1   41   13    7 o   20.560   1.0000 -0.1634000 2.001000 
1 1 1   41   13    8 o   22.630   0.9992 4.346000 1.998000 
1 1 1   41   13    9 o   20.050   1.1170 0.8558000 2.234000 
1 1 1   41   13   10 o   8.4460   2.0560 -3.290000 4.112000 
1 1 1   41   13   11 o   21.310   1.0760 0.3493000 2.151000 
1 1 1   41   13   12 o   11.450   1.9980 -1.917000 3.995000 
1 1 1   41   13   13 o   35.580   0.7714 -1.470000 1.543000 
1 1 1   41   13   14 o   22.840   1.0870 5.140000 2.175000 
1 1 1   41   13   15 o   15.380   1.6270 -0.4442000 3.253000 
1 1 1   41   13   16 o   11.630   2.0560 -3.382000 4.113000 
1 1 1   41   13   17 o   11.070   2.1110 3.149000 4.222000 
1 1 1   41   13   18 o   19.080   1.3500 1.249000 2.700000 
1 1 1   41   13   19 o   9.5620   2.2310 -3.338000 4.462000 
1 1 1   41   13   20 o   7.5900   2.1870 -1.519000 4.374000 
1 1 1   41   13   21 o   16.020   1.7780 2.572000 3.557000 
1 1 1   41   13   22 o   12.160   2.1580 -0.1722000 4.316000 
1 1 1   41   13   23 o   16.800   1.6010 2.079000 3.202000 
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1 1 1   41   14    2 o   8.6820   1.9450 3.055000 3.889000 
1 1 1   41   14    3 o   41.900   0.6381 2.308000 1.276000 
1 1 1   41   14    4 o   13.490   1.5840 1.711000 3.169000 
1 1 1   41   14    5 o   22.790   0.9417 1.491000 1.883000 
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1 1 1   41   14    7 o   31.430   0.7491 0.7968000 1.498000 
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1 1 1   41   14   13 o   17.820   1.4260 6.165000 2.852000 
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1 1 1   42    2   10 o   21.540   0.5935 -1.422000 1.187000 
1 1 1   42    2   11 o   37.150   0.5152 3.555000 1.030000 
1 1 1   42    2   12 o   49.150   0.5825 3.045000 1.165000 
1 1 1   42    2   13 o   13.360   0.9283 3.759000 1.857000 
1 1 1   42    2   14 o   32.040   0.4804 2.693000 0.9607000 
1 1 1   42    2   15 o   37.040   0.4870 -3.021000 0.9741000 
1 1 1   42    2   16 o   39.900   0.4986 -0.5036000 0.9972000 
1 1 1   42    2   17 o   12.480   0.9361 -1.834000 1.872000 
1 1 1   42    2   18 o   73.250   0.7301 -1.064000 1.460000 
1 1 1   42    2   19 o   52.240   0.5659 1.453000 1.132000 
1 1 1   42    2   20 o   22.940   0.5532 -4.328000 1.106000 
1 1 1   42    2   21 o   20.790   0.6040 -2.290000 1.208000 
1 1 1   42    2   22 o   20.190   0.6915 -5.508000 1.383000 
1 1 1   42    2   23 o   8.4760   1.4630 3.748000 2.926000 
1 1 1   42    2   24 o   17.240   0.8762 1.139000 1.752000 
1 1 1   42    2   25 o   24.250   0.6739 1.975000 1.348000 
1 1 1   42    2   26 o   20.100   0.7917 1.229000 1.583000 
1 1 1   42    2   27 o   6.8060   1.6730 -3.175000 3.345000 
1 1 1   42    2   28 o   18.460   0.8841 0.6254000 1.768000 
1 1 1   42    2   29 o   27.160   0.6234 -2.705000 1.247000 
1 1 1   42    2   30 f   14.520   1.9740 1.923000 3.948000 
1 1 1   42    2   31 o   7.5970   2.1900 2.932000 4.381000 
1 1 1   42    2   32 o   16.250   1.7540 -3.070000 3.509000 
1 1 1   42    2   33 o   11.390   2.2050 4.705000 4.410000 
1 1 1   42    3    0 o   62.530   0.9791 -0.000000 0.000000 
1 1 1   42    3    1 o   68.690   0.7476 2.905000 1.495000 
1 1 1   42    3    2 o   26.790   0.5053 -3.314000 1.011000 
1 1 1   42    3    3 o   38.950   0.7399      ?      ? 
1 1 1   42    3    4 o   43.720   0.5379 5.691000 1.076000 
1 1 1   42    3    5 o   19.470   0.5964 1.214000 1.193000 
1 1 1   42    3    6 o   13.500   1.0230 9.426000 2.046000 
1 1 1   42    3    7 o   50.850   0.5907 -2.121000 1.181000 
1 1 1   42    3    8 o   16.360   0.7116 -1.977000 1.423000 
1 1 1   42    3    9 o   35.510   0.5160 1.743000 1.032000 
1 1 1   42    3   10 o   31.220   0.5175 3.162000 1.035000 
1 1 1   42    3   11 o   32.110   0.5122 0.5657000 1.024000 
1 1 1   42    3   12 o   20.520   0.6414 -2.194000 1.283000 
1 1 1   42    3   13 o   9.2580   1.3740 3.351000 2.748000 
1 1 1   42    3   14 o   24.030   0.5865 -4.385000 1.173000 
1 1 1   42    3   15 o   32.030   0.5420 3.657000 1.084000 
1 1 1   42    3   16 o   26.050   0.5782 2.651000 1.156000 
1 1 1   42    3   17 o   36.070   0.5521 -1.926000 1.104000 
1 1 1   42    3   18 o   12.670   1.6990      ?      ? 
1 1 1   42    3   19 o   41.250   0.5761 -2.690000 1.152000 
1 1 1   42    3   20 o   35.470   0.5864 0.3214000 1.173000 
1 1 1   42    3   21 o   21.060   0.7229 0.6292000 1.446000 
1 1 1   42    3   22 o   35.140   0.5578 -4.690000 1.116000 
1 1 1   42    3   23 o   18.840   0.8377 1.357000 1.675000 
1 1 1   42    3   24 o   46.500   0.5857 2.842000 1.171000 
1 1 1   42    3   25 o   9.4210   1.5550 2.472000 3.110000 
1 1 1   42    3   26 o   17.690   0.9462 0.6974000 1.892000 
1 1 1   42    3   27 o   19.530   0.9626 -1.176000 1.925000 
1 1 1   42    3   28 o   18.920   0.8264 -2.646000 1.653000 
1 1 1   42    3   29 o   12.970   1.3540 4.091000 2.707000 
1 1 1   42    3   30 o   12.180   1.2820 0.8229000 2.564000 
1 1 1   42    3   31 o   13.120   1.3620 5.426000 2.723000 
1 1 1   42    3   32 o   7.5060   1.6810 0.4899000 3.362000 
1 1 1   42    4    0 o   58.960   0.9333 -0.000000 0.000000 
1 1 1   42    4    1 o   53.020   0.6096 0.5950000 1.219000 
1 1 1   42    4    2 o   58.140   0.6558 -0.1814000 1.312000 
1 1 1   42    4    3 o   66.470   0.7283 -1.556000 1.457000 
1 1 1   42    4    4 o   15.050   0.7823 1.193000 1.565000 
1 1 1   42    4    5 o   50.580   0.5933 -3.501000 1.187000 
1 1 1   42    4    6 o   27.790   0.5278 -1.094000 1.056000 
1 1 1   42    4    7 o   17.150   0.7322 3.421000 1.464000 
1 1 1   42    4    8 o   39.530   0.5297 -2.635000 1.059000 
1 1 1   42    4    9 o   12.240   1.0300 -1.639000 2.060000 
1 1 1   42    4   10 o   41.200   0.5526 -1.559000 1.105000 
1 1 1   42    4   11 o   22.540   0.6265 4.663000 1.253000 
1 1 1   42    4   12 o   67.800   0.7487 -6.084000 1.497000 
1 1 1   42    4   13 o   33.720   0.5369 -0.8277000 1.074000 
1 1 1   42    4   14 o   43.950   0.5758 2.853000 1.152000 
1 1 1   42    4   15 o   44.240   0.5755 -3.543000 1.151000 
1 1 1   42    4   16 o   29.040   0.5751 -3.887000 1.150000 
1 1 1   42    4   17 o   27.030   0.6047 3.763000 1.209000 
1 1 1   42    4   18 o   46.960   0.6078 -2.910000 1.216000 
1 1 1   42    4   19 o   11.030   1.4020 8.628000 2.804000 
1 1 1   42    4   20 o   38.660   0.5972 0.5090000 1.194000 
1 1 1   42    4   21 o   22.720   0.7928 4.098000 1.586000 
1 1 1   42    4   22 o   8.7040   1.7560 2.622000 3.513000 
1 1 1   42    4   23 o   12.810   1.4960 8.647000 2.993000 
1 1 1   42    4   24 o   19.800   1.0500 -4.510000 2.100000 
1 1 1   42    4   25 o   23.780   0.7858 0.8225000 1.572000 
1 1 1   42    4   26 o   7.3070   1.8440 -1.375000 3.688000 
1 1 1   42    4   27 o   8.2930   1.7710 -2.836000 3.543000 
1 1 1   42    4   28 o   10.810   1.5970 4.836000 3.193000 
1 1 1   42    4   29 o   9.6000   1.6160 2.057000 3.232000 
1 1 1   42    4   30 o   17.920   1.0050 2.615000 2.011000 
1 1 1   42    4   31 o   10.630   1.3800 -1.693000 2.760000 
1 1 1   42    4   32 o   6.5980   1.5560 0.2403000 3.112000 
1 1 1   42    5    0 o   27.630   0.7833 -0.000000 0.000000 
1 1 1   42    5    1 o   32.570   0.5352 1.826000 1.070000 
1 1 1   42    5    2 o   56.820   0.6487 -3.764000 1.297000 
1 1 1   42    5    3 o   45.990   0.5711 -1.506000 1.142000 
1 1 1   42    5    4 o   26.950   0.5568 -3.253000 1.114000 
1 1 1   42    5    5 o   33.890   0.5271 -4.529000 1.054000 
1 1 1   42    5    6 o   73.910   0.8024 -5.341000 1.605000 
1 1 1   42    5    7 o   11.540   1.1000 -1.007000 2.199000 
1 1 1   42    5    8 o   29.120   0.5355 -1.364000 1.071000 
1 1 1   42    5    9 o   14.460   0.9115 -0.9311000 1.823000 
1 1 1   42    5   10 o   24.770   0.6044 3.577000 1.209000 
1 1 1   42    5   11 o   28.220   0.5725 -0.1267000 1.145000 
1 1 1   42    5   12 o   41.160   0.5643 1.376000 1.129000 
1 1 1   42    5   13 o   58.840   0.6764 -0.5373000 1.353000 
1 1 1   42    5   14 o   17.400   0.8078 -1.284000 1.616000 
1 1 1   42    5   15 o   38.220   0.5681 -3.300000 1.136000 
1 1 1   42    5   16 o   29.660   0.5905 -1.077000 1.181000 
1 1 1   42    5   17 o   17.190   0.8814 1.243000 1.763000 
1 1 1   42    5   18 o   41.480   0.5962 1.916000 1.192000 
1 1 1   42    5   19 o   34.230   0.6093 -3.371000 1.219000 
1 1 1   42    5   20 o   23.890   0.7497 1.663000 1.499000 
1 1 1   42    5   21 o   11.330   1.4600 1.062000 2.920000 
1 1 1   42    5   22 o   10.210   1.6260 2.689000 3.253000 
1 1 1   42    5   23 o   19.830   0.9236 1.518000 1.847000 
1 1 1   42    5   24 o   7.6450   1.8720 -1.525000 3.744000 
1 1 1   42    5   25 o   12.070   1.6080 5.816000 3.216000 
1 1 1   42    5   26 o   7.0960   1.5080 5.588000 3.016000 
1 1 1   42    5   27 f   15.110   1.2480 -4.283000 2.495000 
1 1 1   42    5   28 o   9.3150   1.8090 -5.667000 3.617000 
1 1 1   42    5   29 o   8.1250   1.7710 2.198000 3.542000 
1 1 1   42    5   30 o   9.0270   1.8450 -1.407000 3.690000 
1 1 1   42    5   31 o   5.5770   1.5280 2.336000 3.056000 
1 1 1   42    5   32 o   8.4090   1.5300 1.799000 3.060000 
1 1 1   42    6    0 o   43.310   0.8016 -0.000000 0.000000 
1 1 1   42    6    1 o   21.520   0.6587 -0.4597000E-03 1.317000 
1 1 1   42    6    2 o   15.940   0.8961 5.284000 1.792000 
1 1 1   42    6    3 o   54.990   0.6441 -1.784000 1.288000 
1 1 1   42    6    4 o   40.760   0.5523 -2.269000 1.105000 
1 1 1   42    6    5 o   43.440   0.5685 -0.8271000 1.137000 
1 1 1   42    6    6 o   49.580   0.6057 2.563000 1.211000 
1 1 1   42    6    7 o   56.400   0.6525 -1.022000 1.305000 
1 1 1   42    6    8 o   23.270   0.6353 0.2178000 1.271000 
1 1 1   42    6    9 o   26.030   0.6136 -4.442000 1.227000 
1 1 1   42    6   10 o   32.600   0.5783 4.936000 1.157000 
1 1 1   42    6   11 o   30.640   0.5874 2.379000 1.175000 
1 1 1   42    6   12 o   61.570   0.7061 0.7741000 1.412000 
1 1 1   42    6   13 o   35.280   0.5857 -2.532000 1.171000 
1 1 1   42    6   14 o   24.240   0.6835 4.409000 1.367000 
1 1 1   42    6   15 o   22.320   0.7372 0.3646000 1.474000 
1 1 1   42    6   16 o   36.480   0.6013 0.6741000 1.203000 
1 1 1   42    6   17 o   23.800   0.7536 -1.853000 1.507000 
1 1 1   42    6   18 o   28.660   0.6868 3.760000 1.374000 
1 1 1   42    6   19 o   15.960   1.0240 -1.713000 2.049000 
1 1 1   42    6   20 o   22.350   0.8066 0.9970000 1.613000 
1 1 1   42    6   21 f   21.820   0.8605 2.864000 1.721000 
1 1 1   42    6   22 f   28.530   0.6952 -6.370000 1.390000 
1 1 1   42    6   23 o   19.130   1.0130 2.531000 2.026000 
1 1 1   42    6   24 o   14.450   1.3160 0.1444000 2.632000 
1 1 1   42    6   25 o   28.480   0.7460 -0.5777000 1.492000 
1 1 1   42    6   26 o   20.120   1.0120 0.8292000 2.024000 
1 1 1   42    6   27 o   26.380   0.8267 4.361000 1.653000 
1 1 1   42    6   28 o   18.360   1.1480 2.495000 2.296000 
1 1 1   42    6   29 o   13.730   1.5950 4.117000 3.191000 
1 1 1   42    6   30 o   7.2010   1.7510 2.746000 3.502000 
1 1 1   42    6   31 o   6.7990   1.8280 -2.673000 3.656000 
1 1 1   42    6   32 o   6.9780   1.5680 4.197000 3.137000 
1 1 1   42    7    0 o   14.330   1.4640 -0.000000 0.000000 
1 1 1   42    7    1 o   29.510   0.5914 2.602000 1.183000 
1 1 1   42    7    2 o   28.770   0.6030 2.683000 1.206000 
1 1 1   42    7    3 o   47.050   0.6040 -1.553000 1.208000 
1 1 1   42    7    4 o   17.650   0.8425 -1.188000 1.685000 
1 1 1   42    7    5 o   9.0990   1.5860 -1.304000 3.172000 
1 1 1   42    7    6 o   39.020   0.5752 1.665000 1.150000 
1 1 1   42    7    7 o   26.070   0.6547 -2.917000 1.309000 
1 1 1   42    7    8 o   29.190   0.6056 -4.773000 1.211000 
1 1 1   42    7    9 o   23.280   0.6861 0.6063000 1.372000 
1 1 1   42    7   10 o   40.130   0.5898 2.903000 1.180000 
1 1 1   42    7   11 o   36.070   0.5878 0.9605000 1.176000 
1 1 1   42    7   12 o   27.760   0.6594 -3.942000 1.319000 
1 1 1   42    7   13 o   28.500   0.6514 3.666000 1.303000 
1 1 1   42    7   14 o   35.170   0.6144 2.308000 1.229000 
1 1 1   42    7   15 o   35.280   0.6306 2.735000 1.261000 
1 1 1   42    7   16 o   55.520   0.6867 0.7177000 1.373000 
1 1 1   42    7   17 o   14.160   1.2110 1.605000 2.423000 
1 1 1   42    7   18 o   53.570   0.6199 3.445000 1.240000 
1 1 1   42    7   19 f   11.870   1.5410 2.312000 3.081000 
1 1 1   42    7   20 o   18.900   0.9734 0.5285000 1.947000 
1 1 1   42    7   21 o   17.120   1.1220 -0.2270000 2.244000 
1 1 1   42    7   22 f   15.400   1.2830 -2.201000 2.565000 
1 1 1   42    7   23 o   12.390   1.6760 2.077000 3.353000 
1 1 1   42    7   24 o   22.840   0.9470 3.772000 1.894000 
1 1 1   42    7   25 o   22.790   0.9302 -0.2097000 1.860000 
1 1 1   42    7   26 o   20.290   1.0400 -0.3906000 2.080000 
1 1 1   42    7   27 f   34.440   0.7038 0.1151000 1.408000 
1 1 1   42    7   28 o   9.7800   1.8520 -5.278000 3.704000 
1 1 1   42    7   29 o   13.450   1.5720 0.2253000 3.144000 
1 1 1   42    7   30 o   9.8370   1.8520 -1.845000 3.704000 
1 1 1   42    7   31 o   9.1280   1.5430 6.276000 3.085000 
1 1 1   42    8    0 o   56.280   0.9492 -0.000000 0.000000 
1 1 1   42    8    1 o   49.590   0.6304 0.1880000 1.261000 
1 1 1   42    8    2 o   13.700   1.1600 -2.535000 2.320000 
1 1 1   42    8    3 o   67.650   0.7633 -3.656000 1.527000 
1 1 1   42    8    4 o   14.530   1.0700 0.7093000 2.140000 
1 1 1   42    8    5 o   48.590   0.6286 -0.3834000 1.257000 
1 1 1   42    8    6 f   25.970   0.6815 -0.2678000 1.363000 
1 1 1   42    8    7 o   41.580   0.6060 1.887000 1.212000 
1 1 1   42    8    8 o   26.200   0.7054 5.353000 1.411000 
1 1 1   42    8    9 o   31.750   0.6149 -0.7611000 1.230000 
1 1 1   42    8   10 o   47.160   0.6266 0.3875000 1.253000 
1 1 1   42    8   11 o   16.600   1.0230 -1.019000 2.046000 
1 1 1   42    8   12 o   24.970   0.7462 -0.8761000 1.492000 
1 1 1   42    8   13 o   37.680   0.6407 -2.852000 1.281000 
1 1 1   42    8   14 o   45.420   0.5936 -1.298000 1.187000 
1 1 1   42    8   15 o   42.600   0.5865 -2.433000 1.173000 
1 1 1   42    8   16 o   9.6070   1.6900 4.279000 3.381000 
1 1 1   42    8   17 o   28.510   0.7082 1.180000 1.416000 
1 1 1   42    8   18 o   58.660   0.6643 -0.4543000 1.329000 
1 1 1   42    8   19 o   24.430   0.8382 1.249000 1.676000 
1 1 1   42    8   20 o   17.700   1.1210 2.066000 2.243000 
1 1 1   42    8   21 o   21.690   0.9305 -0.7797000 1.861000 
1 1 1   42    8   22 o   20.920   1.0120 -0.3680000 2.025000 
1 1 1   42    8   23 o   15.280   1.4300 -0.2347000 2.860000 
1 1 1   42    8   24 o   28.670   0.8068 0.1583000 1.614000 
1 1 1   42    8   25 o   7.9300   1.9970 1.547000 3.994000 
1 1 1   42    8   26 o   15.820   1.3780 -1.559000 2.756000 
1 1 1   42    8   27 o   10.510   1.9340 0.2102000 3.869000 
1 1 1   42    8   28 o   6.4110   1.8720 -0.1391000 3.744000 
1 1 1   42    8   29 o   8.9400   1.8560 3.227000 3.712000 
1 1 1   42    8   30 o   7.5510   1.8980 1.194000 3.796000 
1 1 1   42    8   31 o   6.7460   1.8280 1.015000 3.656000 
1 1 1   42    9    0 f   17.860   1.3200 -0.000000 0.000000 
1 1 1   42    9    1 o   27.820   0.6910 1.996000 1.382000 
1 1 1   42    9    2 o   42.680   0.6277 -2.181000 1.255000 
1 1 1   42    9    3 f   38.560   0.6169 -2.241000 1.234000 
1 1 1   42    9    4 o   26.850   0.7189 1.596000 1.438000 
1 1 1   42    9    5 o   32.670   0.6404 -0.9638000 1.281000 
1 1 1   42    9    6 f   6.8710   1.6630 4.294000 3.326000 
1 1 1   42    9    7 o   35.570   0.6439 0.1582000 1.288000 
1 1 1   42    9    8 o   8.8760   1.7950 0.4934000 3.590000 
1 1 1   42    9    9 o   9.5640   1.7750 -1.631000 3.551000 
1 1 1   42    9   10 o   50.720   0.6575 -0.4787000 1.315000 
1 1 1   42    9   11 o   14.130   1.1730 -3.350000 2.346000 
1 1 1   42    9   12 o   39.460   0.5951 -3.399000 1.190000 
1 1 1   42    9   13 o   27.410   0.6937 2.593000 1.387000 
1 1 1   42    9   14 o   20.290   0.8987 -2.667000 1.797000 
1 1 1   42    9   15 o   37.650   0.6327 -0.5418000 1.265000 
1 1 1   42    9   16 o   22.850   1.0020 1.887000 2.004000 
1 1 1   42    9   17 o   33.940   0.6789 -0.7510000 1.358000 
1 1 1   42    9   18 o   24.220   0.8556 1.347000 1.711000 
1 1 1   42    9   19 o   24.600   0.8810 -0.7778000 1.762000 
1 1 1   42    9   20 o   15.700   1.3550 -0.3846000 2.711000 
1 1 1   42    9   21 o   17.660   1.4870 9.090000 2.974000 
1 1 1   42    9   22 o   16.290   1.3800 -0.2917000 2.759000 
1 1 1   42    9   23 o   26.500   0.8886 -4.519000 1.777000 
1 1 1   42    9   24 o   14.780   1.5250 -0.6862000 3.049000 
1 1 1   42    9   25 o   19.460   1.2050 2.376000 2.409000 
1 1 1   42    9   26 o   7.2190   1.9820 -3.712000 3.964000 
1 1 1   42    9   27 o   9.3530   1.9480 -5.576000 3.895000 
1 1 1   42    9   28 o   10.280   1.9700 0.3354000 3.940000 
1 1 1   42    9   29 o   7.5420   1.9730 0.2154000E-01 3.946000 
1 1 1   42    9   30 o   5.4790   1.7290 -2.172000 3.458000 
1 1 1   42   10    0 o   13.410   1.9650 -0.000000 0.000000 
1 1 1   42   10    1 o   43.210   0.6525 -3.097000 1.305000 
1 1 1   42   10    2 o   16.420   1.1540 4.982000 2.309000 
1 1 1   42   10    3 o   39.820   0.6492 0.7624000 1.298000 
1 1 1   42   10    4 o   29.820   0.7024 -1.585000 1.405000 
1 1 1   42   10    5 o   18.370   1.0450 -1.160000 2.090000 
1 1 1   42   10    6 o   8.6020   1.8950 1.698000 3.790000 
1 1 1   42   10    7 o   15.240   1.2310 0.1102000E-01 2.462000 
1 1 1   42   10    8 o   43.790   0.5986 1.248000 1.197000 
1 1 1   42   10    9 o   19.880   0.8755 -0.8827000 1.751000 
1 1 1   42   10   10 f   10.670   1.6920 -1.295000 3.384000 
1 1 1   42   10   11 o   34.900   0.6359 -3.630000 1.272000 
1 1 1   42   10   12 o   17.840   1.0740 -1.168000 2.148000 
1 1 1   42   10   13 o   70.710   0.7444 2.728000 1.489000 
1 1 1   42   10   14 o   11.640   1.8320 -6.777000 3.664000 
1 1 1   42   10   15 o   32.940   0.6886 -1.181000 1.377000 
1 1 1   42   10   16 o   37.170   0.6701 -2.022000 1.340000 
1 1 1   42   10   17 o   18.570   1.1260 -2.839000 2.252000 
1 1 1   42   10   18 o   12.380   1.7640 1.889000 3.527000 
1 1 1   42   10   19 o   24.750   0.9331 -2.228000 1.866000 
1 1 1   42   10   20 o   8.8220   2.0750 -0.1586000E-01 4.151000 
1 1 1   42   10   21 o   6.0880   1.8310 2.505000 3.661000 
1 1 1   42   10   22 o   18.510   1.2960 -0.1719000 2.592000 
1 1 1   42   10   23 o   18.770   1.2970 -2.318000 2.593000 
1 1 1   42   10   24 o   17.870   1.5430 4.577000 3.086000 
1 1 1   42   10   25 o   8.2900   2.1450 -0.6452000 4.289000 
1 1 1   42   10   26 o   9.9010   1.9880 4.073000 3.976000 
1 1 1   42   10   27 o   13.870   1.7430 2.723000 3.486000 
1 1 1   42   10   28 o   9.9560   2.0480 -1.367000 4.096000 
1 1 1   42   10   29 f   10.270   1.9490 -2.487000 3.899000 
1 1 1   42   11    0 o   20.680   1.3340 -0.000000 0.000000 
1 1 1   42   11    1 o   30.900   0.7350 1.415000 1.470000 
1 1 1   42   11    2 f   16.190   1.2250 2.396000 2.450000 
1 1 1   42   11    3 f   14.420   1.3790 -1.203000 2.759000 
1 1 1   42   11    4 o   21.790   0.8804 -1.362000 1.761000 
1 1 1   42   11    5 o   33.870   0.6538 0.6431000 1.308000 
1 1 1   42   11    6 o   30.660   0.7062 5.089000 1.412000 
1 1 1   42   11    7 o   37.230   0.6387 2.468000 1.277000 
1 1 1   42   11    8 o   39.250   0.6307 -0.5991000 1.261000 
1 1 1   42   11    9 o   44.990   0.6298 1.225000 1.260000 
1 1 1   42   11   10 o   20.870   0.9458 0.2614000 1.892000 
1 1 1   42   11   11 o   31.430   0.6992 -0.3905000E-01 1.398000 
1 1 1   42   11   12 o   59.840   0.6868 0.2188000 1.374000 
1 1 1   42   11   13 o   32.290   0.7271 3.709000 1.454000 
1 1 1   42   11   14 o   33.540   0.8486 5.004000 1.697000 
1 1 1   42   11   15 o   20.240   1.1010 2.378000 2.202000 
1 1 1   42   11   16 o   22.150   1.1720 -2.266000 2.345000 
1 1 1   42   11   17 o   10.930   2.0040 0.4040000 4.009000 
1 1 1   42   11   18 o   10.270   1.7280 8.397000 3.455000 
1 1 1   42   11   19 o   17.090   1.4100 -1.911000 2.820000 
1 1 1   42   11   20 o   22.460   1.0900 0.2484000 2.179000 
1 1 1   42   11   21 o   14.500   1.7060 -0.8632000 3.412000 
1 1 1   42   11   22 o   12.050   1.9870 4.250000 3.975000 
1 1 1   42   11   23 o   11.630   1.9520 6.713000 3.903000 
1 1 1   42   11   24 o   5.9860   1.8980 -2.069000 3.796000 
1 1 1   42   11   25 o   15.460   1.6520 2.931000 3.304000 
1 1 1   42   11   26 o   9.3080   2.1290 -3.996000 4.259000 
1 1 1   42   11   27 f   10.490   1.9990 3.146000 3.999000 
1 1 1   42   11   28 o   8.0100   2.0180 2.094000 4.036000 
1 1 1   42   11   29 o   7.7200   1.9630 2.452000 3.927000 
1 1 1   42   12    0 f   29.160   0.9564 -0.000000 0.000000 
1 1 1   42   12    1 f   25.900   0.8062 1.667000 1.612000 
1 1 1   42   12    2 o   36.410   0.6641 -0.4211000 1.328000 
1 1 1   42   12    3 o   8.3650   1.9570 -1.338000 3.914000 
1 1 1   42   12    4 o   14.760   1.3800 -4.552000 2.760000 
1 1 1   42   12    5 o   15.240   1.3630 -5.484000 2.726000 
1 1 1   42   12    6 f   12.600   1.6490 7.581000 3.299000 
1 1 1   42   12    7 o   38.600   0.6504 -1.478000 1.301000 
1 1 1   42   12    8 o   40.580   0.6598 0.2037000 1.320000 
1 1 1   42   12    9 o   16.120   1.2810 -2.594000 2.562000 
1 1 1   42   12   10 o   23.080   0.9399 -0.6523000 1.880000 
1 1 1   42   12   11 o   37.360   0.6942 -1.931000 1.388000 
1 1 1   42   12   12 o   14.900   1.9970      ?      ? 
1 1 1   42   12   13 o   13.390   1.6780 2.956000 3.355000 
1 1 1   42   12   14 o   44.670   0.6780 -1.838000 1.356000 
1 1 1   42   12   15 o   16.500   1.4280 3.015000 2.857000 
1 1 1   42   12   16 o   9.6390   1.7400 8.166000 3.480000 
1 1 1   42   12   17 o   8.6740   2.0830 -4.069000 4.166000 
1 1 1   42   12   18 o   8.1530   2.0920 -4.080000 4.184000 
1 1 1   42   12   19 o   28.040   0.9405 1.356000 1.881000 
1 1 1   42   12   20 o   25.920   1.0040 -3.130000 2.007000 
1 1 1   42   12   21 o   13.680   1.9180 3.371000 3.837000 
1 1 1   42   12   22 o   11.670   2.1630 -0.5026000 4.326000 
1 1 1   42   12   23 o   11.760   2.1460 1.588000 4.292000 
1 1 1   42   12   24 o   13.560   1.8640 -0.1894000 3.729000 
1 1 1   42   12   25 o   12.210   2.0490 -1.727000 4.098000 
1 1 1   42   12   26 o   12.220   2.0080 1.847000 4.016000 
1 1 1   42   12   27 o   10.120   2.0510 -4.745000 4.101000 
1 1 1   42   12   28 o   7.9410   2.0810 0.8667000 4.161000 
1 1 1   42   13    0 o   14.130   1.9420 -0.000000 0.000000 
1 1 1   42   13    1 o   21.980   0.8943 -2.121000 1.789000 
1 1 1   42   13    2 f   13.810   1.5010 3.387000 3.003000 
1 1 1   42   13    3 o   7.7200   1.8470 3.887000 3.694000 
1 1 1   42   13    4 o   32.350   0.6811 -2.168000 1.362000 
1 1 1   42   13    5 o   21.310   0.9484 -1.772000 1.897000 
1 1 1   42   13    6 o   36.020   0.7234 -3.282000 1.447000 
1 1 1   42   13    7 o   36.810   0.7069 1.479000 1.414000 
1 1 1   42   13    8 o   14.690   1.4830 -1.892000 2.966000 
1 1 1   42   13    9 o   32.830   0.7607 1.213000 1.521000 
1 1 1   42   13   10 o   10.260   1.9730 4.062000 3.947000 
1 1 1   42   13   11 o   13.500   1.7230 0.2375000 3.447000 
1 1 1   42   13   12 o   16.340   1.4510 1.093000 2.901000 
1 1 1   42   13   13 o   36.090   0.7589 -0.2070000 1.518000 
1 1 1   42   13   14 o   9.2050   2.1850 -0.8749000 4.370000 
1 1 1   42   13   15 o   15.700   1.6080 3.400000 3.216000 
1 1 1   42   13   16 o   16.960   1.5170 -2.958000 3.033000 
1 1 1   42   13   17 o   22.410   1.1700 0.6460000 2.339000 
1 1 1   42   13   18 f   19.140   1.3700 2.490000 2.741000 
1 1 1   42   13   19 o   17.590   1.5310 -1.156000 3.062000 
1 1 1   42   13   20 o   9.9520   2.1760 -5.009000 4.351000 
1 1 1   42   13   21 o   10.990   2.2630 -1.024000 4.527000 
1 1 1   42   13   22 o   8.4590   2.2640 0.4155000 4.529000 
1 1 1   42   13   23 o   13.120   2.0320 1.858000 4.063000 
1 1 1   42   13   24 o   10.730   2.2150 0.3659000 4.431000 
1 1 1   42   13   25 o   9.0970   2.0700 3.149000 4.140000 
1 1 1   42   13   26 o   10.400   2.0820 2.430000 4.164000 
1 1 1   42   13   27 o   8.4440   2.1020 2.417000 4.205000 
1 1 1   42   14    0 o   41.210   0.8945 -0.000000 0.000000 
1 1 1   42   14    1 o   15.480   1.3600 2.432000 2.720000 
1 1 1   42   14    2 o   24.720   0.8552 1.357000 1.710000 
1 1 1   42   14    3 o   29.480   0.7614 -0.2807000 1.523000 
1 1 1   42   14    4 o   9.6640   1.9930 0.4226000 3.985000 
1 1 1   42   14    5 o   21.410   1.0050 -1.713000 2.009000 
1 1 1   42   14    6 o   24.690   0.8954 -1.739000 1.791000 
1 1 1   42   14    7 o   18.470   1.2130 1.112000 2.425000 
1 1 1   42   14    8 o   15.780   1.4760 4.414000 2.952000 
1 1 1   42   14    9 o   11.900   1.7830 -7.468000 3.567000 
1 1 1   42   14   10 o   28.490   0.8391 2.265000 1.678000 
1 1 1   42   14   11 o   10.570   2.0250 2.301000 4.049000 
1 1 1   42   14   12 o   12.760   1.8780 -1.958000 3.756000 
1 1 1   42   14   13 o   29.030   0.8612 0.1408000 1.722000 
1 1 1   42   14   14 o   24.140   1.0280 -1.329000 2.056000 
1 1 1   42   14   15 o   8.5340   2.2460 1.059000 4.492000 
1 1 1   42   14   16 o   25.470   1.0940 0.1237000 2.189000 
1 1 1   42   14   17 o   9.5960   2.3060 -2.396000 4.612000 
1 1 1   42   14   18 f   10.430   2.1870 4.343000 4.375000 
1 1 1   42   14   19 o   20.940   1.3280 0.6453000 2.657000 
1 1 1   42   14   20 o   8.1220   2.1940 2.226000 4.388000 
1 1 1   42   14   21 o   20.670   1.3140 -2.779000 2.628000 
1 1 1   42   14   22 o   17.320   1.5630 -0.7498000E-01 3.126000 
1 1 1   42   14   23 o   9.1490   2.0310 5.665000 4.062000 
1 1 1   42   14   24 o   5.7780   1.8760 0.3389000 3.752000 
1 1 1   42   14   25 o   8.9890   2.2190 -0.1865000 4.438000 
1 1 1   42   14   26 o   9.6430   2.1820 1.044000 4.365000 
1 1 1   42   15    0 o   6.4060   2.7350 -0.000000 0.000000 
1 1 1   42   15    1 o   24.930   0.9455 -3.862000 1.891000 
1 1 1   42   15    2 o   43.870   0.6608 -3.585000 1.322000 
1 1 1   42   15    3 o   9.4160   2.0350 -3.304000 4.071000 
1 1 1   42   15    4 o   13.760   1.6860 -1.347000 3.373000 
1 1 1   42   15    5 o   31.420   0.7930 1.398000 1.586000 
1 1 1   42   15    6 o   40.280   0.6864 -1.122000 1.373000 
1 1 1   42   15    7 o   9.7850   2.0950 -1.530000 4.191000 
1 1 1   42   15    8 o   20.030   1.1930 -1.788000 2.386000 
1 1 1   42   15    9 o   10.730   2.0390 -3.648000 4.079000 
1 1 1   42   15   10 o   18.250   1.3570 4.484000 2.713000 
1 1 1   42   15   11 o   14.400   1.7670 0.6270000 3.533000 
1 1 1   42   15   12 o   28.500   0.9172 -2.108000 1.834000 
1 1 1   42   15   13 o   14.050   1.8570 6.915000 3.715000 
1 1 1   42   15   14 o   14.900   1.8060 6.249000 3.611000 
1 1 1   42   15   15 o   8.8990   1.9720 7.035000 3.945000 
1 1 1   42   15   16 o   8.6990   2.1540 3.810000 4.308000 
1 1 1   42   15   17 o   9.6670   2.2470 -1.028000 4.494000 
1 1 1   42   15   18 o   11.000   2.2000 -2.147000 4.401000 
1 1 1   42   15   19 o   6.5200   2.0080 -1.330000 4.016000 
1 1 1   42   15   20 o   14.190   1.8450 4.377000 3.689000 
1 1 1   42   15   21 o   26.680   0.9774 3.432000 1.955000 
1 1 1   42   15   22 f   7.2270   2.1060 -0.9538000 4.213000 
1 1 1   42   15   23 o   6.6330   1.9500 -3.683000 3.901000 
1 1 1   42   15   24 o   5.5790   1.8200 -0.2633000 3.641000 
1 1 1   42   15   25 o   10.320   2.1790 -0.7123000 4.359000 
1 1 1   42   16    0 o   34.890   1.0940 -0.000000 0.000000 
1 1 1   42   16    1 o   32.980   0.8029 -1.692000 1.606000 
1 1 1   42   16    2 o   19.100   1.3010 1.585000 2.601000 
1 1 1   42   16    3 o   30.000   0.8654 -1.587000 1.731000 
1 1 1   42   16    4 o   7.4900   2.1020 -1.054000 4.204000 
1 1 1   42   16    5 o   7.6570   2.1270 -0.2831000 4.254000 
1 1 1   42   16    6 o   28.570   0.9110 -0.8463000 1.822000 
1 1 1   42   16    7 o   23.230   1.1190 2.992000 2.237000 
1 1 1   42   16    8 f   11.310   2.1710 0.8540000 4.342000 
1 1 1   42   16    9 o   10.060   1.9320 -7.055000 3.864000 
1 1 1   42   16   10 o   12.620   2.0200 -4.330000 4.040000 
1 1 1   42   16   11 o   19.280   1.3490 -0.1389000 2.698000 
1 1 1   42   16   12 o   12.070   2.0420 5.316000 4.084000 
1 1 1   42   16   13 o   19.670   1.3790 2.821000 2.757000 
1 1 1   42   16   14 o   22.910   1.1930 0.9057000 2.385000 
1 1 1   42   16   15 o   7.7760   2.2050 -0.1652000 4.410000 
1 1 1   42   16   16 o   13.800   1.9790 -6.659000 3.958000 
1 1 1   42   16   17 o   10.410   1.9950 6.884000 3.990000 
1 1 1   42   16   18 o   7.6000   2.1130 2.261000 4.226000 
1 1 1   42   16   19 o   11.410   2.0240 -2.926000 4.048000 
1 1 1   42   16   20 o   13.510   1.7870 0.5028000 3.574000 
1 1 1   42   16   21 o   7.0620   2.0270 2.154000 4.054000 
1 1 1   42   16   22 o   7.1440   1.9370 -3.116000 3.875000 
1 1 1   42   16   23 o   7.0270   2.0030 -0.7375000E-01 4.006000 
1 1 1   42   17    0 o   9.7970   3.1950 -0.000000 0.000000 
1 1 1   42   17    1 o   12.060   2.1380 0.6269000 4.275000 
1 1 1   42   17    2 o   20.080   1.3260 -1.418000 2.653000 
1 1 1   42   17    3 o   30.670   0.9028 -1.088000 1.806000 
1 1 1   42   17    4 o   9.6020   2.2070 4.079000 4.414000 
1 1 1   42   17    5 f   32.320   0.8684 1.359000 1.737000 
1 1 1   42   17    6 o   28.550   0.9675 -3.635000 1.935000 
1 1 1   42   17    7 o   22.580   1.1900 -0.5494000 2.381000 
1 1 1   42   17    8 o   7.5700   2.0800 -4.295000 4.161000 
1 1 1   42   17    9 o   13.320   1.9890 7.921000 3.977000 
1 1 1   42   17   10 o   18.100   1.5120 -1.084000 3.023000 
1 1 1   42   17   11 o   18.520   1.4630 -0.9135000 2.925000 
1 1 1   42   17   12 o   14.230   1.7750 -0.3263000 3.549000 
1 1 1   42   17   13 f   13.550   1.8870 4.943000 3.775000 
1 1 1   42   17   14 o   22.560   1.1130 1.404000 2.226000 
1 1 1   42   17   15 o   11.890   1.7490 11.44000 3.498000 
1 1 1   42   17   16 o   10.400   2.1850 1.994000 4.370000 
1 1 1   42   17   17 o   5.4760   1.8060 1.826000 3.613000 
1 1 1   42   17   18 o   8.2730   2.1480 -0.9450000E-02 4.297000 
1 1 1   42   17   19 f   7.7950   2.0740 3.247000 4.148000 
1 1 1   42   17   20 o   6.4500   1.9610 1.650000 3.922000 
1 1 1   42   17   21 o   9.7410   2.1280 1.202000 4.256000 
1 1 1   42   17   22 o   6.8590   1.9810 3.141000 3.962000 
1 1 1   42   18    0 o   10.250   3.3320 -0.000000 0.000000 
1 1 1   42   18    1 o   12.980   2.1470 3.439000 4.294000 
1 1 1   42   18    2 o   7.1100   2.1370 -0.8679000 4.274000 
1 1 1   42   18    3 o   8.2810   2.2440 2.802000 4.489000 
1 1 1   42   18    4 o   6.9730   2.1400 0.4335000 4.279000 
1 1 1   42   18    5 o   18.080   1.5760 2.486000 3.153000 
1 1 1   42   18    6 o   14.610   1.9610 -3.566000 3.921000 
1 1 1   42   18    7 o   10.590   2.2850 -2.204000 4.570000 
1 1 1   42   18    8 o   13.040   1.9670 2.658000 3.934000 
1 1 1   42   18    9 o   12.480   2.0190 -4.454000 4.037000 
1 1 1   42   18   10 o   10.570   2.2050 0.6026000 4.410000 
1 1 1   42   18   11 o   8.2900   2.1150 -2.451000 4.231000 
1 1 1   42   18   12 o   12.620   1.9650 6.015000 3.930000 
1 1 1   42   18   13 o   14.910   1.7760 0.5089000E-01 3.553000 
1 1 1   42   18   14 o   8.0360   2.1800 0.8613000 4.360000 
1 1 1   42   18   15 o   5.8540   1.8830 0.8396000 3.767000 
1 1 1   42   18   16 o   7.6970   2.0450 -2.240000 4.090000 
1 1 1   42   18   17 o   6.8760   2.0100 -0.7668000 4.019000 
1 1 1   42   18   18 o   6.5230   1.9710 0.1628000 3.942000 
1 1 1   42   18   19 o   7.1330   2.0510 1.252000 4.102000 
1 1 1   42   18   20 o   8.3670   2.1240 0.3347000 4.248000 
1 1 1   42   19    0 f   6.6790   2.9910 -0.000000 0.000000 
1 1 1   42   19    1 o   17.610   1.6860 0.4862000 3.372000 
1 1 1   42   19    2 f   23.560   1.2550 -1.103000 2.510000 
1 1 1   42   19    3 o   11.850   2.1280 6.570000 4.256000 
1 1 1   42   19    4 o   19.410   1.4880 0.7071000 2.975000 
1 1 1   42   19    5 o   17.290   1.6840 0.9773000 3.368000 
1 1 1   42   19    6 o   10.520   2.2460 0.6155000 4.492000 
1 1 1   42   19    7 o   17.230   1.5280 0.6815000 3.055000 
1 1 1   42   19    8 o   8.4060   2.2160 2.114000 4.432000 
1 1 1   42   19    9 o   10.430   2.2470 -0.3121000 4.495000 
1 1 1   42   19   10 o   13.900   1.8950 1.419000 3.790000 
1 1 1   42   19   11 o   8.1220   2.0610 -3.303000 4.122000 
1 1 1   42   19   12 o   17.470   1.4650 -0.4582000 2.930000 
1 1 1   42   19   13 o   13.550   1.9280 -0.9427000 3.856000 
1 1 1   42   19   14 o   9.0680   2.2770 5.227000 4.554000 
1 1 1   42   19   15 o   7.8370   2.1190 -0.3577000 4.237000 
1 1 1   42   19   16 o   7.7360   2.0930 2.152000 4.185000 
1 1 1   42   19   17 o   8.1270   2.1200 -0.1078000 4.239000 
1 1 1   42   19   18 o   6.3830   1.9310 3.470000 3.862000 
1 1 1   42   20    0 o   6.6520   2.9950 -0.000000 0.000000 
1 1 1   42   20    1 o   18.150   1.6350 1.605000 3.270000 
1 1 1   42   20    2 o   15.920   1.8540 -2.443000 3.709000 
1 1 1   42   20    3 o   10.740   2.2190 -2.616000 4.438000 
1 1 1   42   20    4 o   7.7200   2.1730 3.407000 4.346000 
1 1 1   42   20    5 o   13.030   2.0860 -0.2983000 4.172000 
1 1 1   42   20    6 o   7.1000   2.0930 -1.330000 4.186000 
1 1 1   42   20    7 o   6.4090   2.0040 -0.2756000 4.008000 
1 1 1   42   20    8 o   12.310   2.1040 -1.036000 4.208000 
1 1 1   42   20    9 o   14.250   1.8910 -6.146000 3.782000 
1 1 1   42   20   10 o   9.6550   2.2080 2.353000 4.415000 
1 1 1   42   20   11 o   9.1150   2.2170 1.302000 4.433000 
1 1 1   42   20   12 o   9.0950   2.1780 3.579000 4.357000 
1 1 1   42   20   13 o   8.5260   2.1560 3.744000 4.312000 
1 1 1   42   20   14 o   9.4390   2.0600 -3.476000 4.121000 
1 1 1   42   20   15 o   6.5560   1.9770 1.786000 3.954000 
1 1 1   42   20   16 o   7.0790   2.0400 0.7028000 4.081000 
1 1 1   42   21    0 o   11.700   3.3480 -0.000000 0.000000 
1 1 1   42   21    1 o   13.750   2.0060 1.518000 4.012000 
1 1 1   42   21    2 o   12.780   2.1110 -1.365000 4.222000 
1 1 1   42   21    3 o   18.960   1.4190 -0.3260000 2.839000 
1 1 1   42   21    4 o   14.010   1.9360 -1.922000 3.873000 
1 1 1   42   21    5 o   9.0920   2.2270 3.357000 4.454000 
1 1 1   42   21    6 o   11.360   2.1430 3.087000 4.286000 
1 1 1   42   21    7 o   10.620   2.2100 -0.2703000 4.419000 
1 1 1   42   21    8 o   8.3980   2.1490 3.846000 4.298000 
1 1 1   42   21    9 o   7.2370   2.0970 0.3118000 4.194000 
1 1 1   42   21   10 o   6.7270   2.0230 -0.3235000 4.046000 
1 1 1   42   21   11 o   9.5980   2.1920 1.922000 4.384000 
1 1 1   42   21   12 o   8.4130   2.0140 6.058000 4.028000 
1 1 1   42   21   13 o   8.9190   2.1370 -1.030000 4.275000 
1 1 1   42   22    0 o   7.7170   3.0110 -0.000000 0.000000 
1 1 1   42   22    1 o   11.000   2.2160 -1.583000 4.433000 
1 1 1   42   22    2 o   12.000   2.1070 4.897000 4.213000 
1 1 1   42   22    3 o   7.0650   2.0840 -1.314000 4.169000 
1 1 1   42   22    4 o   7.2780   2.0610 -2.216000 4.122000 
1 1 1   42   22    5 o   7.4040   2.0650 4.386000 4.131000 
1 1 1   42   22    6 o   6.2250   1.9490 2.164000 3.898000 
1 1 1   42   22    7 o   6.2350   1.9520 0.7732000 3.904000 
1 1 1   42   22    8 o   8.1460   2.1380 1.638000 4.276000 
1 1 1   42   22    9 o   7.8830   2.0740 -2.068000 4.149000 
1 1 1   42   23    0 o   13.060   4.3260 -0.000000 0.000000 
1 1 1   43    0    1 o   26.220   0.7522 -0.000000 0.000000 
1 1 1   43    0    2 o   4.5470   1.9430 -0.000000 0.000000 
1 1 1   43    0    3 o  114.000   1.6930 -0.000000 0.000000 
1 1 1   43    0    4 o   24.000   0.7663 -0.000000 0.000000 
1 1 1   43    0    5 o   20.170   0.8426 -0.000000 0.000000 
1 1 1   43    0    6 o   65.910   1.0200 -0.000000 0.000000 
1 1 1   43    0    7 o   69.960   1.0790 -0.000000 0.000000 
1 1 1   43    0    8 o   5.7590   2.1850 -0.000000 0.000000 
1 1 1   43    0    9 o   62.320   0.9839 -0.000000 0.000000 
1 1 1   43    0   10 o   11.080   1.6070 -0.000000 0.000000 
1 1 1   43    0   11 o   27.290   0.7680 -0.000000 0.000000 
1 1 1   43    0   12 o   5.2190   2.1440 -0.000000 0.000000 
1 1 1   43    0   13 o   7.1060   2.2030 -0.000000 0.000000 
1 1 1   43    0   14 o   39.820   0.7675 -0.000000 0.000000 
1 1 1   43    0   15 o   42.470   0.7831 -0.000000 0.000000 
1 1 1   43    0   16 o   26.970   0.8242 -0.000000 0.000000 
1 1 1   43    0   17 o   61.310   0.9851 -0.000000 0.000000 
1 1 1   43    0   18 o   15.710   1.2380 -0.000000 0.000000 
1 1 1   43    0   20 o   27.910   0.8600 -0.000000 0.000000 
1 1 1   43    0   21 o   29.820   0.8706 -0.000000 0.000000 
1 1 1   43    0   22 o   19.500   1.1190 -0.000000 0.000000 
1 1 1   43    0   23 o   9.8870   2.2670 -0.000000 0.000000 
1 1 1   43    0   24 o   30.370   0.9231 -0.000000 0.000000 
1 1 1   43    0   25 o   38.340   0.8895 -0.000000 0.000000 
1 1 1   43    0   26 o   32.250   0.9363 -0.000000 0.000000 
1 1 1   43    0   27 o   6.3200   2.5080 -0.000000 0.000000 
1 1 1   43    0   28 o   5.2230   2.2670 -0.000000 0.000000 
1 1 1   43    0   29 o   5.2150   2.2240 -0.000000 0.000000 
1 1 1   43    0   30 o   5.6060   2.2120 -0.000000 0.000000 
1 1 1   43    0   31 o   24.300   2.3230 -0.000000 0.000000 
1 1 1   43    0   32 o   12.020   3.7360 -0.000000 0.000000 
1 1 1   43    1    0 f   7.3330   1.7980 -0.000000 0.000000 
1 1 1   43    1    1 o   23.690   0.4467 1.172000 0.8934000 
1 1 1   43    1    2 o   4.2090   1.2410 -0.8290000 2.481000 
1 1 1   43    1    3 o   47.370   0.4613 1.057000 0.9225000 
1 1 1   43    1    4 o   19.500   0.4917 -0.2085000 0.9835000 
1 1 1   43    1    5 o   59.080   0.5363 -1.921000 1.073000 
1 1 1   43    1    6 f   83.710   0.7285 -2.335000 1.457000 
1 1 1   43    1    7 o   21.260   0.5329 -2.723000 1.066000 
1 1 1   43    1    8 f   22.240   0.4735 -3.851000 0.9471000 
1 1 1   43    1    9 o   54.290   0.5104 4.869000 1.021000 
1 1 1   43    1   10 o   38.110   0.4259 -1.663000 0.8518000 
1 1 1   43    1   11 o   23.210   0.4663 1.022000 0.9326000 
1 1 1   43    1   12 o   31.960   0.4287 -4.140000 0.8574000 
1 1 1   43    1   13 o   16.100   0.6186 0.5847000 1.237000 
1 1 1   43    1   14 o   18.220   0.6151 -4.260000 1.230000 
1 1 1   43    1   15 o   28.020   0.4996 3.254000 0.9993000 
1 1 1   43    1   16 o   17.340   0.6869 2.262000 1.374000 
1 1 1   43    1   17 o   63.590   0.6501 -1.655000 1.300000 
1 1 1   43    1   18 o   68.660   0.6914 1.981000 1.383000 
1 1 1   43    1   19 o   32.810   0.4968 -2.543000 0.9936000 
1 1 1   43    1   20 o   19.870   0.6624 0.3770000 1.325000 
1 1 1   43    1   21 o   4.8400   1.5160 -0.1163000 3.033000 
1 1 1   43    1   22 o   26.400   0.6493 1.559000 1.299000 
1 1 1   43    1   23 o   5.9530   1.6980 0.1434000 3.395000 
1 1 1   43    1   24 o   24.590   0.7296 -0.1958000 1.459000 
1 1 1   43    1   25 o   35.620   0.6249 1.706000 1.250000 
1 1 1   43    1   26 o   20.060   0.8650 -0.9739000 1.730000 
1 1 1   43    1   27 o   18.050   0.9541 -1.394000 1.908000 
1 1 1   43    1   28 o   21.520   0.8143 1.279000 1.629000 
1 1 1   43    1   29 o   18.670   0.8586 -2.288000 1.717000 
1 1 1   43    1   30 o   11.970   1.0990 0.5750000 2.198000 
1 1 1   43    1   31 o   11.810   2.0900 2.734000 4.180000 
1 1 1   43    1   32 o   8.9250   2.5740 1.758000 5.147000 
1 1 1   43    2    0 o   12.220   1.2860 -0.000000 0.000000 
1 1 1   43    2    1 o   30.130   0.5002 -1.694000 1.000000 
1 1 1   43    2    2 o   16.660   0.6907 -0.1037000 1.381000 
1 1 1   43    2    3 o   26.730   0.5115 -0.5778000E-01 1.023000 
1 1 1   43    2    4 o   22.010   0.5458 -3.337000 1.092000 
1 1 1   43    2    5 o   23.500   0.5366 -6.600000 1.073000 
1 1 1   43    2    6 o   41.950   0.5234 -1.116000 1.047000 
1 1 1   43    2    7 o   16.860   0.9587      ?      ? 
1 1 1   43    2    8 f   37.410   0.5085 0.2485000 1.017000 
1 1 1   43    2    9 o   47.160   0.5712 4.051000 1.142000 
1 1 1   43    2   10 o   4.9510   1.3620 2.422000 2.724000 
1 1 1   43    2   11 o   47.970   0.5764 -3.418000 1.153000 
1 1 1   43    2   12 o   16.160   0.7519 1.070000 1.504000 
1 1 1   43    2   13 o   23.880   0.5245 -3.212000 1.049000 
1 1 1   43    2   14 o   31.400   0.4877 2.494000 0.9754000 
1 1 1   43    2   15 o   51.770   0.5580 -0.9959000 1.116000 
1 1 1   43    2   16 o   43.450   0.5158 1.130000 1.032000 
1 1 1   43    2   17 o   18.190   0.6844 0.2272000 1.369000 
1 1 1   43    2   18 o   43.480   0.5225 -0.2298000 1.045000 
1 1 1   43    2   19 f   34.090   0.5128 -0.7888000 1.026000 
1 1 1   43    2   20 o   27.370   0.5131 -1.555000 1.026000 
1 1 1   43    2   21 o   9.3670   1.3420 0.3387000 2.684000 
1 1 1   43    2   22 o   5.5120   1.5570 -0.5078000 3.114000 
1 1 1   43    2   23 o   28.300   0.5980 -0.3312000 1.196000 
1 1 1   43    2   24 o   18.300   0.8327 -0.3120000 1.665000 
1 1 1   43    2   25 o   20.770   0.7318 -3.198000 1.464000 
1 1 1   43    2   26 o   27.730   0.6213 -4.434000 1.243000 
1 1 1   43    2   27 f   13.390   1.3120 3.383000 2.624000 
1 1 1   43    2   28 o   6.8230   1.4350 4.735000 2.870000 
1 1 1   43    2   29 o   6.7460   1.5270 2.763000 3.054000 
1 1 1   43    2   30 o   7.6200   1.4860 1.981000 2.972000 
1 1 1   43    2   31 o   8.6750   2.2530 0.6306000 4.506000 
1 1 1   43    2   32 o   7.1830   1.9820 -0.6904000 3.965000 
1 1 1   43    3    0 o   9.8750   1.6320 -0.000000 0.000000 
1 1 1   43    3    1 o   63.770   0.7017 2.241000 1.403000 
1 1 1   43    3    2 o   16.630   0.6973 1.032000 1.395000 
1 1 1   43    3    3 o   9.5430   1.2050 -3.594000 2.411000 
1 1 1   43    3    4 o   34.390   0.4989 0.3434000 0.9979000 
1 1 1   43    3    5 o   46.980   0.5645 5.985000 1.129000 
1 1 1   43    3    6 o   47.560   0.5665 -3.697000 1.133000 
1 1 1   43    3    7 o   5.0240   1.4150 -1.434000 2.830000 
1 1 1   43    3    8 o   23.900   0.7782      ?      ? 
1 1 1   43    3    9 o   10.560   1.2380 3.269000 2.475000 
1 1 1   43    3   10 o   54.750   0.6294 -5.359000 1.259000 
1 1 1   43    3   11 f   20.910   0.6192 0.4528000 1.238000 
1 1 1   43    3   12 o   19.000   0.6860 2.073000 1.372000 
1 1 1   43    3   13 o   13.310   0.9928 3.288000 1.986000 
1 1 1   43    3   14 o   22.180   0.8654      ?      ? 
1 1 1   43    3   15 o   58.080   0.6673 2.817000 1.335000 
1 1 1   43    3   16 o   20.760   0.6920 3.670000 1.384000 
1 1 1   43    3   17 o   44.310   0.5773 -2.077000 1.155000 
1 1 1   43    3   18 f   85.700   0.9215 0.5115000 1.843000 
1 1 1   43    3   19 o   82.590   0.8932 -1.324000 1.786000 
1 1 1   43    3   20 o   10.580   1.4450 4.492000 2.890000 
1 1 1   43    3   21 o   28.540   0.5938 0.8471000E-02 1.188000 
1 1 1   43    3   22 o   8.7290   1.5660 2.853000 3.131000 
1 1 1   43    3   23 o   40.530   0.5687 -0.1826000 1.137000 
1 1 1   43    3   24 o   17.400   0.9066 -1.866000 1.813000 
1 1 1   43    3   25 o   33.650   0.6053 1.353000 1.211000 
1 1 1   43    3   26 o   11.940   1.4260 0.8981000 2.852000 
1 1 1   43    3   27 o   13.370   1.4410 -0.7036000 2.881000 
1 1 1   43    3   28 o   11.930   1.4140 1.234000 2.827000 
1 1 1   43    3   29 f   14.080   1.1580 0.7723000E-01 2.317000 
1 1 1   43    3   30 o   15.480   0.9787 -0.2557000 1.957000 
1 1 1   43    3   31 o   14.860   1.0390 2.650000 2.078000 
1 1 1   43    3   32 o   8.9500   1.6170 1.265000 3.233000 
1 1 1   43    4    0 o   9.7270   1.6740 -0.000000 0.000000 
1 1 1   43    4    1 o   43.820   0.5497 0.7638000 1.099000 
1 1 1   43    4    2 o   54.030   0.6237 -0.5544000 1.247000 
1 1 1   43    4    3 o   55.930   0.6360 1.941000 1.272000 
1 1 1   43    4    4 o   30.970   0.5155 1.779000 1.031000 
1 1 1   43    4    5 o   19.620   0.6544 5.363000 1.309000 
1 1 1   43    4    6 o   50.330   0.5929 -0.1561000E-01 1.186000 
1 1 1   43    4    7 o   30.640   0.5289 0.7298000 1.058000 
1 1 1   43    4    8 o   30.340   0.5288 -1.335000 1.058000 
1 1 1   43    4    9 o   14.890   0.8739 -4.817000 1.748000 
1 1 1   43    4   10 f   45.580   0.5720 0.3084000 1.144000 
1 1 1   43    4   11 o   15.190   0.8279 -1.322000 1.656000 
1 1 1   43    4   12 o   67.730   0.7488 -3.510000 1.498000 
1 1 1   43    4   13 o   8.6100   1.4050 -4.666000 2.809000 
1 1 1   43    4   14 o   36.930   0.5555 3.056000 1.111000 
1 1 1   43    4   15 o   20.030   0.7342 0.4622000 1.468000 
1 1 1   43    4   16 o   40.810   0.5694 0.6658000 1.139000 
1 1 1   43    4   17 o   44.450   0.5915 0.7087000 1.183000 
1 1 1   43    4   18 o   21.690   0.7211 1.368000 1.442000 
1 1 1   43    4   19 o   50.120   0.6323 1.554000 1.265000 
1 1 1   43    4   20 o   35.190   0.6117 -1.955000 1.223000 
1 1 1   43    4   21 o   38.260   0.6232 2.201000 1.246000 
1 1 1   43    4   22 o   25.910   0.7551 2.690000 1.510000 
1 1 1   43    4   23 o   48.380   0.6569 1.162000 1.314000 
1 1 1   43    4   24 o   39.060   0.6079 1.322000 1.216000 
1 1 1   43    4   25 o   10.580   1.6700 1.276000 3.340000 
1 1 1   43    4   26 o   8.5640   1.7920 0.9655000 3.584000 
1 1 1   43    4   27 o   12.450   1.4610 2.487000 2.923000 
1 1 1   43    4   28 o   14.710   1.2080 0.1391000 2.415000 
1 1 1   43    4   29 o   17.560   0.9470 -2.366000 1.894000 
1 1 1   43    4   30 o   14.450   1.2150 1.842000 2.431000 
1 1 1   43    4   31 o   10.290   1.4480 0.7042000 2.895000 
1 1 1   43    4   32 o   8.9810   1.3590 6.189000 2.719000 
1 1 1   43    5    0 f   9.1810   2.0120 -0.000000 0.000000 
1 1 1   43    5    1 o   55.880   0.6415 -1.976000 1.283000 
1 1 1   43    5    2 o   40.490   0.5490 -4.688000 1.098000 
1 1 1   43    5    3 o   17.600   0.7396 -2.378000 1.479000 
1 1 1   43    5    4 o   27.750   0.5620 2.928000 1.124000 
1 1 1   43    5    5 o   44.000   0.5642 -4.817000 1.128000 
1 1 1   43    5    6 o   40.710   0.5412 1.865000 1.082000 
1 1 1   43    5    7 o   16.090   0.8258 4.785000 1.652000 
1 1 1   43    5    8 f   15.560   0.8438 0.6130000 1.688000 
1 1 1   43    5    9 o   17.980   0.7730 4.067000 1.546000 
1 1 1   43    5   10 o   54.700   0.6412 -1.302000 1.282000 
1 1 1   43    5   11 o   53.370   0.6308 1.441000 1.262000 
1 1 1   43    5   12 o   13.530   1.5170      ?      ? 
1 1 1   43    5   13 o   27.930   0.5957 2.194000 1.191000 
1 1 1   43    5   14 o   24.530   0.6374 -1.433000 1.275000 
1 1 1   43    5   15 o   16.090   0.9456 3.400000 1.891000 
1 1 1   43    5   16 o   6.4210   1.4340 4.930000 2.868000 
1 1 1   43    5   17 o   49.280   0.6243 -0.3498000 1.249000 
1 1 1   43    5   18 o   56.290   0.6746 -0.3761000 1.349000 
1 1 1   43    5   19 o   33.010   0.6237 -1.288000 1.247000 
1 1 1   43    5   20 o   17.130   1.0010 -1.344000 2.002000 
1 1 1   43    5   21 o   16.300   1.0980 -1.753000 2.195000 
1 1 1   43    5   22 o   27.220   0.6922 -0.6513000E-01 1.384000 
1 1 1   43    5   23 o   27.450   0.7085 -1.011000 1.417000 
1 1 1   43    5   24 o   7.2100   1.8710 -0.1818000 3.741000 
1 1 1   43    5   25 o   27.680   0.7520 1.748000 1.504000 
1 1 1   43    5   26 f   11.830   1.6260 0.9886000 3.253000 
1 1 1   43    5   27 o   12.820   1.5690 10.33000 3.139000 
1 1 1   43    5   28 o   7.0740   1.8910 -2.073000 3.781000 
1 1 1   43    5   29 o   22.500   0.8495 -0.5861000 1.699000 
1 1 1   43    5   30 o   7.0060   1.7980 1.287000 3.595000 
1 1 1   43    5   31 o   15.260   1.0280 -4.936000 2.057000 
1 1 1   43    5   32 o   13.920   1.0710 -0.5233000 2.143000 
1 1 1   43    6    0 o   20.040   1.0340 -0.000000 0.000000 
1 1 1   43    6    1 o   31.430   0.5720 -2.878000 1.144000 
1 1 1   43    6    2 o   49.300   0.6119 10.33000 1.224000 
1 1 1   43    6    3 o   35.470   0.5601 1.245000 1.120000 
1 1 1   43    6    4 o   21.430   0.6637 -2.120000 1.327000 
1 1 1   43    6    5 o   30.390   0.5685 1.171000 1.137000 
1 1 1   43    6    6 o   60.020   0.6848 -4.732000 1.370000 
1 1 1   43    6    7 o   25.460   0.5951 -0.6524000 1.190000 
1 1 1   43    6    8 f   16.600   0.8529 2.703000 1.706000 
1 1 1   43    6    9 o   35.930   0.5562 3.043000 1.112000 
1 1 1   43    6   10 o   43.350   0.5870 -0.1078000 1.174000 
1 1 1   43    6   11 f   43.790   0.5864 2.416000 1.173000 
1 1 1   43    6   12 o   56.140   0.6641 0.6145000 1.328000 
1 1 1   43    6   13 o   16.160   0.9542 2.981000 1.908000 
1 1 1   43    6   14 o   33.470   0.6053 6.535000 1.211000 
1 1 1   43    6   15 f   31.020   0.6280 5.406000 1.256000 
1 1 1   43    6   16 o   7.0540   1.7830 0.5253000 3.566000 
1 1 1   43    6   17 o   24.570   0.7404 -2.871000 1.481000 
1 1 1   43    6   18 o   7.5470   1.7880 2.577000 3.575000 
1 1 1   43    6   19 o   14.740   1.2270 -0.9382000 2.453000 
1 1 1   43    6   20 o   23.400   0.7759 0.7975000 1.552000 
1 1 1   43    6   21 o   15.320   1.1980 1.340000 2.396000 
1 1 1   43    6   22 o   23.870   0.8146 3.052000 1.629000 
1 1 1   43    6   23 o   30.640   0.6916 0.7552000 1.383000 
1 1 1   43    6   24 o   25.480   0.7903 -2.478000 1.581000 
1 1 1   43    6   25 o   33.300   0.6824 -1.887000 1.365000 
1 1 1   43    6   26 o   17.740   1.1780 2.684000 2.355000 
1 1 1   43    6   27 o   19.510   1.0420 -1.278000 2.084000 
1 1 1   43    6   28 o   24.990   0.8636 1.017000 1.727000 
1 1 1   43    6   29 f   16.770   1.2320 1.277000 2.464000 
1 1 1   43    6   30 o   8.1480   1.9120 0.6933000E-01 3.824000 
1 1 1   43    6   31 f   14.350   1.2550 -1.157000 2.511000 
1 1 1   43    7    0 o   26.330   0.8665 -0.000000 0.000000 
1 1 1   43    7    1 o   25.760   0.6358 0.9962000 1.272000 
1 1 1   43    7    2 f   47.320   0.6068 2.539000 1.214000 
1 1 1   43    7    3 o   45.390   0.6010 5.153000 1.202000 
1 1 1   43    7    4 o   37.700   0.5782 -3.954000 1.156000 
1 1 1   43    7    5 f   14.430   1.0440 -0.7794000E-01 2.088000 
1 1 1   43    7    6 o   41.680   0.5890 1.318000 1.178000 
1 1 1   43    7    7 o   13.120   1.1700 -0.2651000 2.340000 
1 1 1   43    7    8 o   46.560   0.6060 -0.8860000 1.212000 
1 1 1   43    7    9 o   16.730   0.9355 3.279000 1.871000 
1 1 1   43    7   10 o   47.470   0.6174 -4.713000 1.235000 
1 1 1   43    7   11 o   11.650   1.3380 0.3906000 2.676000 
1 1 1   43    7   12 o   54.330   0.6663 -3.735000 1.333000 
1 1 1   43    7   13 o   20.210   0.8413 0.7114000 1.683000 
1 1 1   43    7   14 o   12.300   1.3830 0.7891000 2.766000 
1 1 1   43    7   15 o   38.420   0.6178 1.460000 1.236000 
1 1 1   43    7   16 o   40.570   0.6342 1.229000 1.268000 
1 1 1   43    7   17 o   20.610   0.8310 -0.7890000 1.662000 
1 1 1   43    7   18 o   10.680   1.5670 6.534000 3.134000 
1 1 1   43    7   19 o   14.090   1.3630 -8.540000 2.725000 
1 1 1   43    7   20 o   7.0810   1.8480 0.7484000 3.696000 
1 1 1   43    7   21 o   21.190   0.9235 -1.558000 1.847000 
1 1 1   43    7   22 o   13.360   1.5590 3.351000 3.117000 
1 1 1   43    7   23 o   14.740   1.5270 4.221000 3.054000 
1 1 1   43    7   24 o   16.710   1.2390 -1.654000 2.479000 
1 1 1   43    7   25 o   12.670   1.6940 8.618000 3.388000 
1 1 1   43    7   26 o   26.930   0.8094 -0.2052000 1.619000 
1 1 1   43    7   27 o   19.070   1.1610 2.113000 2.322000 
1 1 1   43    7   28 o   5.1300   1.6750 -1.129000 3.350000 
1 1 1   43    7   29 o   11.520   1.7040 -5.685000 3.409000 
1 1 1   43    7   30 o   6.2130   1.7910 0.1547000 3.581000 
1 1 1   43    7   31 o   7.9560   1.7710 1.909000 3.542000 
1 1 1   43    8    0 o   29.850   0.8679 -0.000000 0.000000 
1 1 1   43    8    1 o   24.210   0.7045 -5.081000 1.409000 
1 1 1   43    8    2 o   24.560   0.7251 -2.074000 1.450000 
1 1 1   43    8    3 o   38.830   0.6079 2.630000 1.216000 
1 1 1   43    8    4 o   54.580   0.6612 1.947000 1.322000 
1 1 1   43    8    5 o   19.330   0.8650 2.134000 1.730000 
1 1 1   43    8    6 o   14.950   1.0910 3.847000 2.182000 
1 1 1   43    8    7 o   45.610   0.6155 1.204000 1.231000 
1 1 1   43    8    8 f   26.220   0.7018 2.876000 1.404000 
1 1 1   43    8    9 o   26.790   0.6803 1.868000 1.361000 
1 1 1   43    8   10 o   34.850   0.6161 -1.026000 1.232000 
1 1 1   43    8   11 o   26.600   0.7330 10.07000 1.466000 
1 1 1   43    8   12 o   19.550   0.8935 -0.6872000 1.787000 
1 1 1   43    8   13 o   43.560   0.6355 2.648000 1.271000 
1 1 1   43    8   14 o   24.310   1.1240      ?      ? 
1 1 1   43    8   15 o   23.020   0.7824 0.2938000 1.565000 
1 1 1   43    8   16 o   17.240   1.0760 4.061000 2.151000 
1 1 1   43    8   17 o   47.760   0.6226 -2.551000 1.245000 
1 1 1   43    8   18 o   29.060   0.7102 -6.688000 1.420000 
1 1 1   43    8   19 o   35.580   0.6546 0.3046000 1.309000 
1 1 1   43    8   20 o   21.050   0.9758 2.432000 1.952000 
1 1 1   43    8   21 o   18.110   1.1590 3.302000 2.319000 
1 1 1   43    8   22 o   15.040   1.4130 0.9910000 2.825000 
1 1 1   43    8   23 o   32.490   0.7386 0.3083000 1.477000 
1 1 1   43    8   24 o   22.490   1.0010 -0.7475000 2.003000 
1 1 1   43    8   25 o   10.980   1.8510 4.385000 3.701000 
1 1 1   43    8   26 o   7.8600   1.7800 4.715000 3.560000 
1 1 1   43    8   27 o   16.790   1.2910 -4.410000 2.581000 
1 1 1   43    8   28 o   12.730   1.6180 -0.9261000 3.235000 
1 1 1   43    8   29 o   7.4920   1.8340 2.751000 3.668000 
1 1 1   43    8   30 o   12.280   1.6510 -0.6486000 3.303000 
1 1 1   43    9    0 o   5.5610   2.3740 -0.000000 0.000000 
1 1 1   43    9    1 o   21.230   0.8418 -4.769000 1.684000 
1 1 1   43    9    2 o   22.950   0.7862 0.6727000 1.572000 
1 1 1   43    9    3 o   15.190   1.1790 0.7617000 2.358000 
1 1 1   43    9    4 o   29.410   0.6797 0.5235000 1.359000 
1 1 1   43    9    5 o   47.610   0.6443 3.982000 1.289000 
1 1 1   43    9    6 o   8.1750   1.5740 6.561000 3.148000 
1 1 1   43    9    7 o   52.790   0.6683 2.461000 1.337000 
1 1 1   43    9    8 o   44.510   0.6305 0.9571000 1.261000 
1 1 1   43    9    9 o   62.840   0.7384 1.517000 1.477000 
1 1 1   43    9   10 o   8.7900   1.8440 -1.873000 3.688000 
1 1 1   43    9   11 f   6.9040   1.8370 -1.938000 3.674000 
1 1 1   43    9   12 o   24.920   0.7429 -0.6232000 1.486000 
1 1 1   43    9   13 o   36.360   0.6079 0.2950000 1.216000 
1 1 1   43    9   14 o   25.210   0.7893 2.277000 1.579000 
1 1 1   43    9   15 o   8.5050   1.8680 1.560000 3.737000 
1 1 1   43    9   16 o   62.040   0.6891 -0.3268000 1.378000 
1 1 1   43    9   17 o   8.2950   1.9670 -2.130000 3.934000 
1 1 1   43    9   18 o   32.650   0.7136 -0.2451000 1.427000 
1 1 1   43    9   19 o   28.940   0.7725 -1.185000 1.545000 
1 1 1   43    9   20 o   20.000   1.2450 0.8413000 2.490000 
1 1 1   43    9   21 o   32.770   0.7383 -0.9050000 1.477000 
1 1 1   43    9   22 f   12.870   1.7410 -0.5168000 3.482000 
1 1 1   43    9   23 o   7.5570   2.0160 1.691000 4.031000 
1 1 1   43    9   24 o   10.660   2.0280 -2.862000 4.056000 
1 1 1   43    9   25 o   15.330   1.5160 1.297000 3.033000 
1 1 1   43    9   26 o   8.5100   2.0580 -3.671000 4.116000 
1 1 1   43    9   27 o   7.7990   2.0470 -2.242000 4.094000 
1 1 1   43    9   28 o   6.4590   1.9030 0.4700000E-01 3.806000 
1 1 1   43    9   29 o   5.6700   1.7880 -1.589000 3.577000 
1 1 1   43    9   30 o   7.7330   1.8620 2.288000 3.723000 
1 1 1   43   10    0 f   5.2420   2.3340 -0.000000 0.000000 
1 1 1   43   10    1 o   9.4320   1.6960 -5.279000 3.392000 
1 1 1   43   10    2 o   21.610   0.9027 -4.046000 1.805000 
1 1 1   43   10    3 o   15.590   1.2380 4.120000 2.475000 
1 1 1   43   10    4 o   24.680   0.8045 0.3175000 1.609000 
1 1 1   43   10    5 o   33.320   0.6965 4.135000 1.393000 
1 1 1   43   10    6 o   22.560   0.8777 2.072000 1.755000 
1 1 1   43   10    7 o   61.910   0.7413 2.782000 1.483000 
1 1 1   43   10    8 o   44.280   0.6612 -2.925000 1.322000 
1 1 1   43   10    9 o   44.620   0.6023 0.9427000 1.205000 
1 1 1   43   10   10 o   42.000   0.6054 -1.757000 1.211000 
1 1 1   43   10   11 o   22.580   0.8432 -3.241000 1.686000 
1 1 1   43   10   12 o   41.750   0.6298 -0.4641000 1.260000 
1 1 1   43   10   13 o   13.300   1.5360 5.328000 3.072000 
1 1 1   43   10   14 o   58.840   0.6755 -0.1415000 1.351000 
1 1 1   43   10   15 o   13.410   1.6000 6.541000 3.201000 
1 1 1   43   10   16 o   15.340   1.3870 2.296000 2.774000 
1 1 1   43   10   17 o   32.440   0.7250 -2.878000 1.450000 
1 1 1   43   10   18 o   33.020   0.7276 -2.011000 1.455000 
1 1 1   43   10   19 o   8.1600   1.9580 3.367000 3.915000 
1 1 1   43   10   20 o   18.070   1.2470 -2.928000 2.494000 
1 1 1   43   10   21 o   6.0960   1.8620 -3.203000 3.724000 
1 1 1   43   10   22 o   8.4250   2.1560 0.2579000 4.311000 
1 1 1   43   10   23 o   19.110   1.2870 -2.242000 2.573000 
1 1 1   43   10   24 o   15.270   1.6040 0.7988000 3.207000 
1 1 1   43   10   25 o   6.8050   2.0120 -1.773000 4.024000 
1 1 1   43   10   26 o   14.500   1.6370 -3.060000 3.275000 
1 1 1   43   10   27 o   8.4960   2.0690 1.316000 4.137000 
1 1 1   43   10   28 o   11.770   1.8690 0.6154000 3.739000 
1 1 1   43   10   29 o   13.320   1.6480 0.8843000 3.296000 
1 1 1   43   11    0 o   7.3240   2.7110 -0.000000 0.000000 
1 1 1   43   11    1 o   20.630   0.9800 3.648000 1.960000 
1 1 1   43   11    2 o   20.430   0.9868 1.119000 1.974000 
1 1 1   43   11    3 o   58.650   0.7267 -0.6016000 1.453000 
1 1 1   43   11    4 o   47.810   0.6849 1.498000 1.370000 
1 1 1   43   11    5 o   40.950   0.6241 -0.7400000 1.248000 
1 1 1   43   11    6 o   30.090   0.7058 2.318000 1.412000 
1 1 1   43   11    7 o   23.660   0.8248 1.718000 1.650000 
1 1 1   43   11    8 o   10.810   1.7330 -2.563000 3.467000 
1 1 1   43   11    9 o   39.430   0.6328 0.1832000 1.266000 
1 1 1   43   11   10 o   55.980   0.6558 2.857000 1.312000 
1 1 1   43   11   11 o   22.060   0.9292 -1.588000 1.858000 
1 1 1   43   11   12 o   21.700   0.9677 0.4628000 1.935000 
1 1 1   43   11   13 o   20.940   1.0040 -0.1799000 2.008000 
1 1 1   43   11   14 o   24.460   0.8953 0.4006000 1.791000 
1 1 1   43   11   15 o   27.190   0.8407 2.786000 1.681000 
1 1 1   43   11   16 o   59.740   0.7841 2.749000 1.568000 
1 1 1   43   11   17 o   15.130   1.5210 1.400000 3.042000 
1 1 1   43   11   18 o   30.950   0.8197 -4.652000 1.639000 
1 1 1   43   11   19 o   9.4480   2.1560 -0.7013000 4.312000 
1 1 1   43   11   20 o   8.1570   2.1290 1.125000 4.258000 
1 1 1   43   11   21 o   24.520   1.0360 0.8289000 2.072000 
1 1 1   43   11   22 o   7.7690   2.1450 0.8725000 4.290000 
1 1 1   43   11   23 o   6.2900   2.7960      ?      ? 
1 1 1   43   11   24 o   11.840   2.1050 5.828000 4.211000 
1 1 1   43   11   25 o   28.640   0.8850 0.6488000E-01 1.770000 
1 1 1   43   11   26 o   7.0770   1.9890 2.355000 3.978000 
1 1 1   43   11   27 o   7.6240   2.0680 -0.6089000 4.137000 
1 1 1   43   11   28 o   6.6850   1.9690 -2.326000 3.937000 
1 1 1   43   11   29 o   6.9170   3.1790      ?      ? 
1 1 1   43   12    0 o   21.220   1.4390 -0.000000 0.000000 
1 1 1   43   12    1 o   53.120   0.6537 3.434000 1.307000 
1 1 1   43   12    2 o   58.690   0.6841 2.136000 1.368000 
1 1 1   43   12    3 o   21.510   0.9565 -2.001000 1.913000 
1 1 1   43   12    4 o   18.020   1.1020 -0.3209000 2.203000 
1 1 1   43   12    5 o   23.190   0.8874 1.889000 1.775000 
1 1 1   43   12    6 o   37.050   0.6833 -2.988000 1.367000 
1 1 1   43   12    7 o   47.950   0.6430 -3.411000 1.286000 
1 1 1   43   12    8 o   5.6350   1.7730 -0.7429000 3.545000 
1 1 1   43   12    9 f   37.940   0.6721 1.344000 1.344000 
1 1 1   43   12   10 o   7.6690   1.9670 1.802000 3.933000 
1 1 1   43   12   11 o   6.0000   1.8490 -0.1545000 3.699000 
1 1 1   43   12   12 o   11.750   1.8090 2.272000 3.618000 
1 1 1   43   12   13 o   12.760   1.7900 -2.331000 3.580000 
1 1 1   43   12   14 o   36.220   0.7385 -2.447000 1.477000 
1 1 1   43   12   15 o   14.970   1.5840 0.6945000 3.167000 
1 1 1   43   12   16 o   17.590   1.3700 -2.598000 2.741000 
1 1 1   43   12   17 o   24.710   1.0010 -2.787000 2.002000 
1 1 1   43   12   18 o   12.250   1.9730 -0.7049000 3.947000 
1 1 1   43   12   19 o   8.2340   2.1530 -2.808000 4.307000 
1 1 1   43   12   20 o   6.1780   1.9640 -1.521000 3.927000 
1 1 1   43   12   21 o   7.4420   2.0430 3.382000 4.085000 
1 1 1   43   12   22 o   10.500   2.1380 4.162000 4.275000 
1 1 1   43   12   23 o   8.2650   2.1080 3.118000 4.215000 
1 1 1   43   12   24 o   8.6350   2.1930 0.6338000 4.387000 
1 1 1   43   12   25 o   8.6440   2.1990 -1.728000 4.397000 
1 1 1   43   12   26 o   11.010   1.9090 -8.456000 3.818000 
1 1 1   43   12   27 o   9.8420   2.1090 -2.952000 4.217000 
1 1 1   43   12   28 o   7.0790   2.0450 -2.670000 4.089000 
1 1 1   43   13    0 o   22.080   1.2870 -0.000000 0.000000 
1 1 1   43   13    1 o   12.260   1.6130 0.3936000 3.225000 
1 1 1   43   13    2 o   16.460   1.2580 4.693000 2.516000 
1 1 1   43   13    3 o   23.840   0.8467 -1.997000 1.693000 
1 1 1   43   13    4 o   49.490   0.6053 2.451000 1.211000 
1 1 1   43   13    5 o   34.880   0.7162 -2.699000 1.432000 
1 1 1   43   13    6 o   28.120   0.8424 -2.101000 1.685000 
1 1 1   43   13    7 o   21.950   0.9991 -1.879000 1.998000 
1 1 1   43   13    8 o   36.970   0.7241 2.038000 1.448000 
1 1 1   43   13    9 o   14.200   1.5900 -1.127000 3.179000 
1 1 1   43   13   10 o   6.2660   1.9320 -0.9989000 3.864000 
1 1 1   43   13   11 o   19.600   1.2050 -3.712000 2.409000 
1 1 1   43   13   12 o   21.780   1.1350 -3.254000 2.271000 
1 1 1   43   13   13 o   7.7310   2.1350 -0.7357000 4.269000 
1 1 1   43   13   14 o   14.790   1.6810 -4.104000 3.363000 
1 1 1   43   13   15 o   19.200   1.3710 3.521000 2.742000 
1 1 1   43   13   16 o   14.780   1.7730 -2.745000 3.547000 
1 1 1   43   13   17 o   19.580   1.3280 1.264000 2.656000 
1 1 1   43   13   18 o   10.950   2.1070 4.959000 4.213000 
1 1 1   43   13   19 o   21.610   1.2490 -4.640000 2.498000 
1 1 1   43   13   20 o   7.5570   2.1440 2.187000 4.288000 
1 1 1   43   13   21 o   25.590   1.0770 -2.730000 2.154000 
1 1 1   43   13   22 o   8.3920   2.2660 -2.318000 4.533000 
1 1 1   43   13   23 o   12.430   2.1050 -4.212000 4.210000 
1 1 1   43   13   24 o   21.840   1.1860 -1.200000 2.372000 
1 1 1   43   13   25 o   11.460   2.0500 -3.692000 4.099000 
1 1 1   43   13   26 o   10.720   2.0140 -6.470000 4.029000 
1 1 1   43   13   27 o   6.6910   2.0150 -0.3485000 4.031000 
1 1 1   43   14    0 o   8.0770   2.8470 -0.000000 0.000000 
1 1 1   43   14    1 o   36.520   0.6704 1.005000 1.341000 
1 1 1   43   14    2 o   39.100   0.6471 1.994000 1.294000 
1 1 1   43   14    3 o   22.520   0.9361 2.077000 1.872000 
1 1 1   43   14    4 o   9.2080   2.0240 1.513000 4.048000 
1 1 1   43   14    5 o   13.990   1.5740 0.4733000E-01 3.147000 
1 1 1   43   14    6 o   20.310   1.0820 0.1530000 2.164000 
1 1 1   43   14    7 o   20.960   1.0760 -0.3866000 2.152000 
1 1 1   43   14    8 o   32.460   0.7572 -6.827000 1.514000 
1 1 1   43   14    9 o   21.390   1.0780 -2.119000 2.155000 
1 1 1   43   14   10 o   31.260   0.7806 1.239000 1.561000 
1 1 1   43   14   11 o   27.580   0.8675 0.7583000 1.735000 
1 1 1   43   14   12 o   13.760   1.8790 -3.391000 3.759000 
1 1 1   43   14   13 o   11.180   2.1160 -5.508000 4.232000 
1 1 1   43   14   14 o   29.180   0.9541 2.517000 1.908000 
1 1 1   43   14   15 o   19.380   1.3900 0.5846000 2.780000 
1 1 1   43   14   16 o   11.570   2.1150 4.906000 4.231000 
1 1 1   43   14   17 o   7.4430   2.1650 -2.300000 4.330000 
1 1 1   43   14   18 f   25.540   1.1120 -0.8138000 2.223000 
1 1 1   43   14   19 o   10.170   2.2390 -4.320000 4.477000 
1 1 1   43   14   20 o   14.190   1.9520 -2.055000 3.903000 
1 1 1   43   14   21 o   12.060   2.1350 3.950000 4.269000 
1 1 1   43   14   22 o   9.1650   2.0540 5.555000 4.109000 
1 1 1   43   14   23 o   6.6130   2.0680 -1.015000 4.135000 
1 1 1   43   14   24 o   15.270   1.7660 1.328000 3.532000 
1 1 1   43   14   25 o   7.3050   2.1070 -2.219000 4.214000 
1 1 1   43   14   26 o   10.560   2.2040 -1.213000 4.408000 
1 1 1   43   15    0 o   11.850   2.6840 -0.000000 0.000000 
1 1 1   43   15    1 o   36.130   0.7182 0.5346000 1.436000 
1 1 1   43   15    2 o   38.560   0.7010 -0.8050000 1.402000 
1 1 1   43   15    3 o   21.270   1.0910 3.754000 2.182000 
1 1 1   43   15    4 o   11.150   2.0250 -0.1255000 4.051000 
1 1 1   43   15    5 o   5.7880   1.8430 -0.9838000 3.686000 
1 1 1   43   15    6 o   11.140   1.9960 3.756000 3.991000 
1 1 1   43   15    7 o   7.9190   2.1160 -0.4624000 4.232000 
1 1 1   43   15    8 o   37.080   0.7215 2.526000 1.443000 
1 1 1   43   15    9 o   25.280   0.9705 0.8681000 1.941000 
1 1 1   43   15   10 f   18.800   1.3030 -3.022000 2.606000 
1 1 1   43   15   11 o   12.780   1.9510 -1.574000 3.903000 
1 1 1   43   15   12 o   28.960   0.9198 -0.6627000 1.840000 
1 1 1   43   15   13 o   7.4170   2.1200 1.925000 4.240000 
1 1 1   43   15   14 o   16.250   1.6230 -2.029000 3.247000 
1 1 1   43   15   15 o   14.670   1.8500 -2.860000 3.700000 
1 1 1   43   15   16 o   9.8190   2.2060 3.577000 4.412000 
1 1 1   43   15   17 o   7.8940   2.2070 -0.3151000 4.414000 
1 1 1   43   15   18 o   8.0960   2.2020 -1.334000 4.404000 
1 1 1   43   15   19 o   11.160   2.1730 2.383000 4.346000 
1 1 1   43   15   20 f   16.480   1.6080 2.362000 3.216000 
1 1 1   43   15   21 o   12.590   2.0290 -1.408000 4.058000 
1 1 1   43   15   22 o   8.5350   2.1520 3.205000 4.304000 
1 1 1   43   15   23 o   9.8000   2.2060 -0.6448000 4.413000 
1 1 1   43   15   24 o   8.8830   1.9530 5.917000 3.907000 
1 1 1   43   15   25 o   10.550   3.9950      ?      ? 
1 1 1   43   16    0 f   7.0920   2.9370 -0.000000 0.000000 
1 1 1   43   16    1 o   10.990   2.1290 0.7652000 4.258000 
1 1 1   43   16    2 o   8.7180   2.1110 3.154000 4.223000 
1 1 1   43   16    3 o   9.0600   2.1730 2.358000 4.346000 
1 1 1   43   16    4 o   7.8780   2.1380 -1.149000 4.276000 
1 1 1   43   16    5 o   12.680   1.9750 0.2278000 3.950000 
1 1 1   43   16    6 o   15.530   1.7230 6.991000 3.446000 
1 1 1   43   16    7 f   33.520   0.8329 0.3492000 1.666000 
1 1 1   43   16    8 f   13.700   1.9140 3.474000 3.828000 
1 1 1   43   16    9 o   22.480   1.1420 0.4001000 2.283000 
1 1 1   43   16   10 o   13.680   1.9510 -3.936000 3.903000 
1 1 1   43   16   11 o   13.890   1.9180 7.624000 3.836000 
1 1 1   43   16   12 o   23.660   1.1280 2.586000 2.256000 
1 1 1   43   16   13 o   20.460   1.3220 -0.3265000 2.644000 
1 1 1   43   16   14 o   10.120   2.2010 4.550000 4.403000 
1 1 1   43   16   15 o   8.8450   2.2820 -0.2660000E-01 4.564000 
1 1 1   43   16   16 o   11.390   2.2130 -2.115000 4.427000 
1 1 1   43   16   17 o   6.1780   1.9770 -0.7956000 3.954000 
1 1 1   43   16   18 o   13.910   1.9720 -0.3663000 3.943000 
1 1 1   43   16   19 o   15.730   1.8130 10.13000 3.625000 
1 1 1   43   16   20 o   7.3360   2.0930 2.471000 4.187000 
1 1 1   43   16   21 o   10.600   2.2180 -0.6566000 4.435000 
1 1 1   43   16   22 o   7.6030   2.1500 0.2044000E-01 4.300000 
1 1 1   43   16   23 o   6.6800   1.9810 -3.037000 3.961000 
1 1 1   43   17    0 o   17.800   2.1250 -0.000000 0.000000 
1 1 1   43   17    1 o   6.9420   2.0900 -0.3740000 4.180000 
1 1 1   43   17    2 o   6.4060   1.9930 1.648000 3.985000 
1 1 1   43   17    3 o   6.4090   1.9770 -2.237000 3.953000 
1 1 1   43   17    4 o   11.710   2.1860 2.603000 4.371000 
1 1 1   43   17    5 o   11.470   2.2060 -1.170000 4.412000 
1 1 1   43   17    6 o   20.660   1.3250 -2.402000 2.650000 
1 1 1   43   17    7 o   9.3840   2.2620 2.812000 4.524000 
1 1 1   43   17    8 o   13.950   1.9810 -4.494000 3.961000 
1 1 1   43   17    9 o   23.970   1.1550 4.065000 2.310000 
1 1 1   43   17   10 o   11.800   2.2120 1.523000 4.425000 
1 1 1   43   17   11 o   12.650   2.1520 -1.391000 4.304000 
1 1 1   43   17   12 o   17.180   1.5800 0.8369000 3.161000 
1 1 1   43   17   13 o   9.7560   2.3210 0.5917000 4.642000 
1 1 1   43   17   14 o   17.230   1.6020 2.479000 3.204000 
1 1 1   43   17   15 o   16.940   1.5910 -4.187000 3.182000 
1 1 1   43   17   16 o   6.3210   1.9690 1.641000 3.939000 
1 1 1   43   17   17 o   7.0650   2.0100 -1.938000 4.020000 
1 1 1   43   17   18 o   8.9760   2.1110 -2.215000 4.221000 
1 1 1   43   17   19 o   5.4270   1.7840 1.410000 3.569000 
1 1 1   43   17   20 o   7.1510   2.0480 1.885000 4.095000 
1 1 1   43   17   21 o   9.0360   2.1010 3.349000 4.202000 
1 1 1   43   17   22 f   9.9720   2.1600 1.593000 4.320000 
1 1 1   43   18    0 o   7.0860   3.0490 -0.000000 0.000000 
1 1 1   43   18    1 o   9.3390   2.3600 -0.9810000 4.719000 
1 1 1   43   18    2 o   10.190   2.3460 0.5229000 4.692000 
1 1 1   43   18    3 o   13.810   2.0120 7.611000 4.024000 
1 1 1   43   18    4 o   10.550   2.3180 1.766000 4.636000 
1 1 1   43   18    5 o   13.990   2.0060 1.527000 4.012000 
1 1 1   43   18    6 o   6.6940   2.0030 4.310000 4.007000 
1 1 1   43   18    7 o   13.850   2.0650 -0.6694000 4.130000 
1 1 1   43   18    8 o   12.150   2.2280 -3.030000 4.456000 
1 1 1   43   18    9 o   22.920   1.2590 0.6240000 2.518000 
1 1 1   43   18   10 o   23.300   1.2130 -1.177000 2.425000 
1 1 1   43   18   11 o   17.640   1.4530 0.8303000 2.906000 
1 1 1   43   18   12 o   8.6500   2.2080 2.775000 4.415000 
1 1 1   43   18   13 o   8.8900   2.1730 -2.041000 4.346000 
1 1 1   43   18   14 o   15.290   1.6680 1.843000 3.336000 
1 1 1   43   18   15 o   8.4570   2.1690 0.8475000 4.338000 
1 1 1   43   18   16 o   8.5540   2.0870 4.488000 4.174000 
1 1 1   43   18   17 f   8.3480   2.1310 2.967000 4.262000 
1 1 1   43   18   18 f   6.8660   2.0030 -0.3735000 4.005000 
1 1 1   43   18   19 o   9.3670   1.7850 8.758000 3.570000 
1 1 1   43   18   20 o   7.2350   2.0410 -0.2032000 4.082000 
1 1 1   43   19    0 o   22.390   1.8850 -0.000000 0.000000 
1 1 1   43   19    1 o   10.860   2.3770 1.473000 4.754000 
1 1 1   43   19    2 o   9.4380   2.3340 2.701000 4.668000 
1 1 1   43   19    3 f   9.2820   2.3650 -1.047000 4.731000 
1 1 1   43   19    4 o   6.6020   2.0830 0.3802000 4.167000 
1 1 1   43   19    5 o   11.310   2.3130 1.368000 4.626000 
1 1 1   43   19    6 o   16.740   1.7090 0.9403000 3.418000 
1 1 1   43   19    7 o   6.1500   1.9800 -0.7721000 3.960000 
1 1 1   43   19    8 o   13.380   1.9090 9.227000 3.819000 
1 1 1   43   19    9 o   13.490   1.9800 2.484000 3.961000 
1 1 1   43   19   10 o   7.1400   2.1120 2.008000 4.225000 
1 1 1   43   19   11 o   8.5210   2.1210 -2.528000 4.242000 
1 1 1   43   19   12 o   6.5970   1.9900 -1.019000 3.979000 
1 1 1   43   19   13 o   8.9540   2.0550 -3.858000 4.111000 
1 1 1   43   19   14 o   9.5810   2.2040 1.844000 4.408000 
1 1 1   43   19   15 o   6.2230   1.9430 1.151000 3.886000 
1 1 1   43   19   16 o   7.3540   2.0640 0.2306000 4.128000 
1 1 1   43   19   17 o   7.9480   2.1180 2.411000 4.236000 
1 1 1   43   19   18 o   14.630   1.7140 -2.567000 3.427000 
1 1 1   43   20    0 o   6.0810   2.8170 -0.000000 0.000000 
1 1 1   43   20    1 o   10.230   2.3500 3.668000 4.701000 
1 1 1   43   20    2 o   8.7630   2.3010 2.942000 4.601000 
1 1 1   43   20    3 o   15.540   1.9130 1.562000 3.826000 
1 1 1   43   20    4 o   10.430   2.3870 -0.2972000 4.775000 
1 1 1   43   20    5 o   8.6620   2.2700 0.2165000 4.540000 
1 1 1   43   20    6 o   8.7590   2.2660 0.7579000 4.531000 
1 1 1   43   20    7 o   7.0010   2.0100 -2.883000 4.020000 
1 1 1   43   20    8 o   7.9590   2.2000 1.036000 4.400000 
1 1 1   43   20    9 o   8.4410   2.2040 -0.3836000 4.408000 
1 1 1   43   20   10 o   8.3090   1.8620 8.247000 3.724000 
1 1 1   43   20   11 o   9.1200   2.0610 6.218000 4.123000 
1 1 1   43   20   12 o   12.260   2.0510 0.7452000 4.101000 
1 1 1   43   20   13 o   8.0330   2.0100 -3.863000 4.021000 
1 1 1   43   20   14 o   6.6280   1.9610 -1.559000 3.921000 
1 1 1   43   20   15 o   7.1490   2.0540 0.4078000 4.109000 
1 1 1   43   20   16 o   7.1670   2.1980 1.816000 4.396000 
1 1 1   43   21    0 o   11.430   3.3400 -0.000000 0.000000 
1 1 1   43   21    1 o   11.210   2.1360 -7.399000 4.272000 
1 1 1   43   21    2 o   11.940   2.2940 -2.641000 4.588000 
1 1 1   43   21    3 o   11.480   2.1930 3.197000 4.386000 
1 1 1   43   21    4 o   15.530   1.7530 -0.9365000 3.506000 
1 1 1   43   21    5 o   6.6080   1.9930 -1.988000 3.986000 
1 1 1   43   21    6 o   8.8060   2.2230 1.886000 4.446000 
1 1 1   43   21    7 o   6.6180   2.0300 1.843000 4.060000 
1 1 1   43   21    8 o   8.6450   2.1250 4.543000 4.251000 
1 1 1   43   21    9 o   6.7350   1.9630 -2.379000 3.927000 
1 1 1   43   21   10 f   6.7630   1.9610 4.390000 3.921000 
1 1 1   43   21   11 o   6.3140   1.9310 -1.014000 3.862000 
1 1 1   43   21   12 o   5.7330   1.8460 1.079000 3.692000 
1 1 1   43   21   13 o   7.3410   2.1010 0.6663000 4.202000 
1 1 1   43   22    0 o   5.5250   2.6280 -0.000000 0.000000 
1 1 1   43   22    1 o   10.470   2.2560 0.7428000 4.512000 
1 1 1   43   22    2 o   10.890   2.2100 -2.380000 4.420000 
1 1 1   43   22    3 o   7.9430   2.1690 3.056000 4.338000 
1 1 1   43   22    4 o   6.6890   2.0380 -0.2280000 4.076000 
1 1 1   43   22    5 o   5.8730   1.8900 0.1456000 3.780000 
1 1 1   43   22    6 o   5.7200   1.8540 0.2845000 3.709000 
1 1 1   43   22    7 o   7.8740   2.1160 -0.9298000 4.231000 
1 1 1   43   22    8 o   7.9630   2.1010 -1.045000 4.202000 
1 1 1   43   22    9 o   9.3260   2.4380 3.953000 4.875000 
1 1 1   44    0    0 o   53.480   1.2350 -0.000000 0.000000 
1 1 1   44    0    1 o   74.930   1.1420 -0.000000 0.000000 
1 1 1   44    0    2 o   37.580   0.7302 -0.000000 0.000000 
1 1 1   44    0    3 o   26.110   0.7570 -0.000000 0.000000 
1 1 1   44    0    4 o   37.060   0.7289 -0.000000 0.000000 
1 1 1   44    0    5 o   57.810   0.9176 -0.000000 0.000000 
1 1 1   44    0    6 o   7.1850   2.1190 -0.000000 0.000000 
1 1 1   44    0    7 o   24.480   0.8012 -0.000000 0.000000 
1 1 1   44    0    8 o   21.760   0.8857 -0.000000 0.000000 
1 1 1   44    0    9 o   41.320   0.7768 -0.000000 0.000000 
1 1 1   44    0   10 o   10.210   1.7500 -0.000000 0.000000 
1 1 1   44    0   11 o   10.760   1.6460 -0.000000 0.000000 
1 1 1   44    0   12 o   43.290   0.7933 -0.000000 0.000000 
1 1 1   44    0   13 f   78.950   1.2070 -0.000000 0.000000 
1 1 1   44    0   14 o   73.740   1.1360 -0.000000 0.000000 
1 1 1   44    0   15 o   23.840   0.8746 -0.000000 0.000000 
1 1 1   44    0   16 o   17.080   1.1550 -0.000000 0.000000 
1 1 1   44    0   17 o   15.070   1.2820 -0.000000 0.000000 
1 1 1   44    0   18 o   8.7660   2.3190 -0.000000 0.000000 
1 1 1   44    0   19 o   18.370   1.1680 -0.000000 0.000000 
1 1 1   44    0   20 o   9.4310   2.1850 -0.000000 0.000000 
1 1 1   44    0   21 o   54.880   0.9388 -0.000000 0.000000 
1 1 1   44    0   22 o   35.100   0.8503 -0.000000 0.000000 
1 1 1   44    0   23 o   30.990   0.9128 -0.000000 0.000000 
1 1 1   44    0   24 o   10.380   2.2590 -0.000000 0.000000 
1 1 1   44    0   25 o   22.730   1.0820 -0.000000 0.000000 
1 1 1   44    0   26 o   11.480   2.2060 -0.000000 0.000000 
1 1 1   44    0   27 o   28.320   1.0010 -0.000000 0.000000 
1 1 1   44    0   28 o   8.0310   2.5370 -0.000000 0.000000 
1 1 1   44    0   29 o   8.3940   2.4430 -0.000000 0.000000 
1 1 1   44    0   30 o   27.910   0.8911 -0.000000 0.000000 
1 1 1   44    0   31 o   16.030   1.0250 -0.000000 0.000000 
1 1 1   44    0   32 o   6.8420   3.1430 -0.000000 0.000000 
1 1 1   44    1    0 o   9.7450   1.4190 -0.000000 0.000000 
1 1 1   44    1    1 o   28.130   0.4287 4.069000 0.8573000 
1 1 1   44    1    2 o   10.970   0.9150 -4.169000 1.830000 
1 1 1   44    1    3 o   13.500   0.7023 -0.4752000 1.405000 
1 1 1   44    1    4 o   18.190   0.5331 1.097000 1.066000 
1 1 1   44    1    5 o   25.350   0.4514 -9.764000 0.9029000 
1 1 1   44    1    6 o   31.610   0.4160 2.644000 0.8320000 
1 1 1   44    1    7 o   41.120   0.4369 -0.3408000E-01 0.8738000 
1 1 1   44    1    8 o   68.440   0.6096 0.3663000 1.219000 
1 1 1   44    1    9 o   21.210   0.5056 -1.918000 1.011000 
1 1 1   44    1   10 o   20.430   0.5170 -2.629000 1.034000 
1 1 1   44    1   11 o   46.440   0.4651 1.356000 0.9302000 
1 1 1   44    1   12 o   26.800   0.4549 -1.237000 0.9099000 
1 1 1   44    1   13 o   34.040   0.4341 1.357000 0.8682000 
1 1 1   44    1   14 o   43.830   0.5142 -3.842000 1.028000 
1 1 1   44    1   15 o   47.370   0.5361 -4.816000 1.072000 
1 1 1   44    1   16 o   18.750   0.6464 0.3517000 1.293000 
1 1 1   44    1   17 o   20.170   0.6306 0.3153000 1.261000 
1 1 1   44    1   18 o   42.280   0.5211 -2.071000 1.042000 
1 1 1   44    1   19 o   17.600   0.7247 -0.7153000 1.449000 
1 1 1   44    1   20 o   32.800   0.5250 0.7435000 1.050000 
1 1 1   44    1   21 o   29.680   0.6186 0.2952000 1.237000 
1 1 1   44    1   22 o   11.230   1.4190 2.067000 2.837000 
1 1 1   44    1   23 o   17.190   0.9744 -0.1977000 1.949000 
1 1 1   44    1   24 o   23.620   0.7742 -5.106000 1.548000 
1 1 1   44    1   25 o   22.060   0.8075 1.646000 1.615000 
1 1 1   44    1   26 o   9.9450   1.7170 1.951000 3.434000 
1 1 1   44    1   27 o   8.3240   1.7740 3.064000 3.548000 
1 1 1   44    1   28 o   9.6650   1.7260 -1.650000 3.451000 
1 1 1   44    1   29 o   16.830   0.9986 0.5253000 1.997000 
1 1 1   44    1   30 o   5.8740   1.5630 -2.720000 3.125000 
1 1 1   44    1   31 o   15.780   1.9390 -1.155000 3.879000 
1 1 1   44    1   32 o   10.270   2.0690 0.1592000 4.137000 
1 1 1   44    2    0 o   47.570   0.8000 -0.000000 0.000000 
1 1 1   44    2    1 o   24.930   0.5373 1.317000 1.075000 
1 1 1   44    2    2 o   28.260   0.5077 1.002000 1.015000 
1 1 1   44    2    3 o   8.1620   1.9160      ?      ? 
1 1 1   44    2    4 o   29.410   0.4981 -3.630000 0.9962000 
1 1 1   44    2    5 o   48.080   0.5696 3.736000 1.139000 
1 1 1   44    2    6 o   39.910   0.5199 -3.987000 1.040000 
1 1 1   44    2    7 o   46.550   0.5617 -0.8098000 1.123000 
1 1 1   44    2    8 o   50.840   0.5938 -1.954000 1.188000 
1 1 1   44    2    9 o   28.310   0.5341 2.043000 1.068000 
1 1 1   44    2   10 o   10.440   1.1910 -2.921000 2.381000 
1 1 1   44    2   11 o   17.610   0.7262 5.601000 1.452000 
1 1 1   44    2   12 o   51.890   0.6091 2.025000 1.218000 
1 1 1   44    2   13 o   14.840   0.7837 0.4470000 1.567000 
1 1 1   44    2   14 o   39.860   0.5009 -2.743000 1.002000 
1 1 1   44    2   15 o   11.900   0.9863 -2.589000 1.973000 
1 1 1   44    2   16 o   33.840   0.4939 -0.6518000 0.9879000 
1 1 1   44    2   17 o   23.750   0.6635 2.118000 1.327000 
1 1 1   44    2   18 o   8.7830   1.3490 -5.407000 2.698000 
1 1 1   44    2   19 o   53.040   0.5799 -0.7290000 1.160000 
1 1 1   44    2   20 o   6.1450   1.4160 3.377000 2.833000 
1 1 1   44    2   21 o   14.870   0.9009 2.956000 1.802000 
1 1 1   44    2   22 o   13.740   1.0530 -0.2646000E-01 2.106000 
1 1 1   44    2   23 o   32.060   0.5787 0.1009000 1.157000 
1 1 1   44    2   24 o   15.510   1.0580 3.106000 2.117000 
1 1 1   44    2   25 o   13.770   1.1380 0.8296000 2.275000 
1 1 1   44    2   26 o   28.860   0.6339 -2.876000 1.268000 
1 1 1   44    2   27 o   12.790   1.2590 -1.746000 2.519000 
1 1 1   44    2   28 o   9.0900   1.7200 -0.6673000E-02 3.441000 
1 1 1   44    2   29 o   15.390   1.0270 0.4626000 2.054000 
1 1 1   44    2   30 o   8.7100   1.5180 0.5726000 3.037000 
1 1 1   44    2   31 o   20.010   1.4290 3.277000 2.857000 
1 1 1   44    2   32 o   15.030   2.0060 -4.120000 4.012000 
1 1 1   44    3    0 o   24.670   0.7671 -0.000000 0.000000 
1 1 1   44    3    1 o   47.300   0.5655 -0.3957000 1.131000 
1 1 1   44    3    2 o   23.380   0.5606 1.645000 1.121000 
1 1 1   44    3    3 o   52.520   0.6048 3.611000 1.210000 
1 1 1   44    3    4 o   28.320   0.5105 -4.293000 1.021000 
1 1 1   44    3    5 o   30.820   0.5151 0.7632000 1.030000 
1 1 1   44    3    6 o   26.200   0.5255 -0.5183000 1.051000 
1 1 1   44    3    7 o   50.460   0.5935 -1.137000 1.187000 
1 1 1   44    3    8 o   29.910   0.5154 0.1561000 1.031000 
1 1 1   44    3    9 o   25.100   0.5722 3.125000 1.144000 
1 1 1   44    3   10 o   39.190   0.5294 -1.192000 1.059000 
1 1 1   44    3   11 o   19.960   0.6420 -3.071000 1.284000 
1 1 1   44    3   12 o   46.500   0.5765 0.5264000 1.153000 
1 1 1   44    3   13 o   6.3550   1.5850 -0.3930000 3.170000 
1 1 1   44    3   14 o   19.450   0.7520 4.532000 1.504000 
1 1 1   44    3   15 o   36.770   0.5563 -1.446000 1.113000 
1 1 1   44    3   16 o   7.5370   1.6040 1.007000 3.208000 
1 1 1   44    3   17 o   23.510   0.6427 -0.7131000 1.285000 
1 1 1   44    3   18 o   40.610   0.5819 2.065000 1.164000 
1 1 1   44    3   19 o   42.120   0.5908 -5.283000 1.182000 
1 1 1   44    3   20 o   32.860   0.6027 1.580000 1.205000 
1 1 1   44    3   21 o   7.6700   1.3270 6.073000 2.653000 
1 1 1   44    3   22 o   24.850   0.6795 -0.6107000E-02 1.359000 
1 1 1   44    3   23 o   14.620   1.3010 0.1461000 2.602000 
1 1 1   44    3   24 o   28.110   0.6556 0.3253000E-01 1.311000 
1 1 1   44    3   25 o   21.510   0.9211 1.310000 1.842000 
1 1 1   44    3   26 o   21.430   0.7741 -4.401000 1.548000 
1 1 1   44    3   27 o   14.120   1.2500 1.807000 2.501000 
1 1 1   44    3   28 o   20.190   0.8398 -0.7347000 1.680000 
1 1 1   44    3   29 o   8.5110   1.5750 2.396000 3.151000 
1 1 1   44    3   30 o   8.6790   1.5810 -1.990000 3.162000 
1 1 1   44    3   31 f   5.7870   1.4880 0.3326000 2.977000 
1 1 1   44    3   32 o   9.9910   1.4960 1.002000 2.993000 
1 1 1   44    4    0 o   36.920   0.7411 -0.000000 0.000000 
1 1 1   44    4    1 o   48.870   0.5861 4.356000 1.172000 
1 1 1   44    4    2 o   60.230   0.6738 3.001000 1.348000 
1 1 1   44    4    3 o   8.2970   1.4020 -2.738000 2.804000 
1 1 1   44    4    4 o   38.090   0.5284 3.418000 1.057000 
1 1 1   44    4    5 o   62.680   0.6961 -0.3961000 1.392000 
1 1 1   44    4    6 o   45.930   0.5658 3.446000 1.132000 
1 1 1   44    4    7 o   17.090   0.7544 3.379000 1.509000 
1 1 1   44    4    8 o   48.830   0.5829 -2.621000 1.166000 
1 1 1   44    4    9 o   43.590   0.5619 1.414000 1.124000 
1 1 1   44    4   10 o   15.200   0.8592 -1.400000 1.718000 
1 1 1   44    4   11 o   18.480   0.7370 1.217000 1.474000 
1 1 1   44    4   12 o   42.840   0.5643 -4.835000 1.129000 
1 1 1   44    4   13 o   12.920   1.0640 2.047000 2.127000 
1 1 1   44    4   14 o   43.570   0.5714 -0.3588000 1.143000 
1 1 1   44    4   15 f   41.760   0.7994      ?      ? 
1 1 1   44    4   16 o   31.570   0.5782 -1.281000 1.156000 
1 1 1   44    4   17 o   45.360   0.5964 2.515000 1.193000 
1 1 1   44    4   18 o   14.490   1.0360 -2.415000 2.072000 
1 1 1   44    4   19 o   15.860   1.0130 1.443000 2.025000 
1 1 1   44    4   20 o   14.140   1.1930 1.491000 2.386000 
1 1 1   44    4   21 o   55.300   0.6773 0.7082000 1.355000 
1 1 1   44    4   22 o   30.320   0.6930 -1.129000 1.386000 
1 1 1   44    4   23 o   17.870   1.0370 0.9319000 2.075000 
1 1 1   44    4   24 o   57.190   0.7157 -0.1237000 1.431000 
1 1 1   44    4   25 o   31.120   0.6650 -0.3877000 1.330000 
1 1 1   44    4   26 o   28.040   0.6719 -0.6550000 1.344000 
1 1 1   44    4   27 o   10.040   1.6320 -4.519000 3.264000 
1 1 1   44    4   28 o   21.530   0.8437 0.2691000 1.687000 
1 1 1   44    4   29 o   9.0950   1.7260 -2.196000 3.452000 
1 1 1   44    4   30 o   7.4700   1.9250      ?      ? 
1 1 1   44    4   31 o   13.360   1.0950 -1.778000 2.189000 
1 1 1   44    4   32 o   6.4570   1.4800 1.497000 2.960000 
1 1 1   44    5    0 o   13.990   1.3560 -0.000000 0.000000 
1 1 1   44    5    1 o   30.210   0.5527 -0.8451000 1.105000 
1 1 1   44    5    2 o   21.220   0.6650 2.872000 1.330000 
1 1 1   44    5    3 o   20.960   0.6539 -3.921000 1.308000 
1 1 1   44    5    4 o   13.780   0.9514 -2.836000 1.903000 
1 1 1   44    5    5 o   19.880   0.6847 -0.4382000E-01 1.369000 
1 1 1   44    5    6 o   33.150   0.5372 -3.569000 1.074000 
1 1 1   44    5    7 o   63.140   0.7070 -0.9727000 1.414000 
1 1 1   44    5    8 o   19.880   0.7047 -4.771000 1.409000 
1 1 1   44    5    9 o   17.320   0.7903 -1.049000 1.581000 
1 1 1   44    5   10 o   6.9000   1.6360 -0.7384000 3.271000 
1 1 1   44    5   11 o   56.010   0.6534 -3.452000 1.307000 
1 1 1   44    5   12 o   5.6960   1.6040 -0.5011000 3.207000 
1 1 1   44    5   13 o   17.090   0.8294 2.228000 1.659000 
1 1 1   44    5   14 o   11.470   1.2810 -3.672000 2.563000 
1 1 1   44    5   15 o   17.260   0.9076 -5.698000 1.815000 
1 1 1   44    5   16 o   29.360   0.6261 -0.9561000E-01 1.252000 
1 1 1   44    5   17 o   44.410   0.6041 -2.479000 1.208000 
1 1 1   44    5   18 o   30.350   0.6290 1.702000 1.258000 
1 1 1   44    5   19 o   17.170   0.9708 -0.3692000E-01 1.942000 
1 1 1   44    5   20 o   40.220   0.6250 -2.052000 1.250000 
1 1 1   44    5   21 o   16.800   1.0910 -1.474000 2.182000 
1 1 1   44    5   22 o   12.620   1.5850 6.539000 3.170000 
1 1 1   44    5   23 o   25.270   0.7729 0.4234000 1.546000 
1 1 1   44    5   24 o   18.310   1.0820 2.127000 2.163000 
1 1 1   44    5   25 o   33.020   0.6797 1.117000 1.359000 
1 1 1   44    5   26 o   9.5050   1.7040 4.594000 3.407000 
1 1 1   44    5   27 o   28.090   0.7426 1.213000 1.485000 
1 1 1   44    5   28 f   15.030   1.2820 -0.5298000 2.563000 
1 1 1   44    5   29 o   10.760   1.7100 0.9076000 3.421000 
1 1 1   44    5   30 o   6.5390   1.7800 0.6446000 3.559000 
1 1 1   44    5   31 o   10.180   1.5250 -4.850000 3.050000 
1 1 1   44    5   32 o   6.7910   1.5390 3.358000 3.079000 
1 1 1   44    6    0 o   59.740   0.9686 -0.000000 0.000000 
1 1 1   44    6    1 o   54.960   0.6516 4.873000 1.303000 
1 1 1   44    6    2 o   29.540   0.5807 0.3802000 1.161000 
1 1 1   44    6    3 o   20.760   0.7241 -1.441000 1.448000 
1 1 1   44    6    4 o   28.970   0.5753 1.707000 1.151000 
1 1 1   44    6    5 o   31.170   0.5692 2.974000 1.138000 
1 1 1   44    6    6 o   17.100   0.8420 3.283000 1.684000 
1 1 1   44    6    7 o   13.500   1.0330 -0.2100000E-01 2.065000 
1 1 1   44    6    8 o   27.810   0.5797 -1.977000 1.159000 
1 1 1   44    6    9 o   27.140   0.6111 -3.682000 1.222000 
1 1 1   44    6   10 o   27.230   0.6074 0.6793000 1.215000 
1 1 1   44    6   11 o   34.100   0.5761 -1.983000 1.152000 
1 1 1   44    6   12 o   9.9980   1.5040 -4.138000 3.008000 
1 1 1   44    6   13 o   26.870   0.6437 -3.196000 1.287000 
1 1 1   44    6   14 o   36.610   0.6008 0.4037000 1.202000 
1 1 1   44    6   15 o   59.000   0.6969 1.293000 1.394000 
1 1 1   44    6   16 o   16.370   1.0380 -2.068000 2.075000 
1 1 1   44    6   17 o   22.250   0.8195 -1.250000 1.639000 
1 1 1   44    6   18 o   14.140   1.2880 -3.843000 2.576000 
1 1 1   44    6   19 o   29.330   0.7022 -0.1372000 1.404000 
1 1 1   44    6   20 o   16.580   1.0570 -4.523000 2.115000 
1 1 1   44    6   21 o   21.900   0.8699 -0.3492000 1.740000 
1 1 1   44    6   22 o   32.620   0.6614 -2.313000 1.323000 
1 1 1   44    6   23 o   27.850   0.7471 0.6402000 1.494000 
1 1 1   44    6   24 o   11.010   1.7550 -1.943000 3.509000 
1 1 1   44    6   25 o   10.390   1.7680 4.211000 3.536000 
1 1 1   44    6   26 o   21.800   0.9525 1.161000 1.905000 
1 1 1   44    6   27 o   7.4260   1.8570 1.953000 3.714000 
1 1 1   44    6   28 o   13.570   1.5790 2.209000 3.158000 
1 1 1   44    6   29 o   7.0460   1.8730 0.8598000 3.746000 
1 1 1   44    6   30 o   14.670   1.3510 0.7890000 2.702000 
1 1 1   44    6   31 o   7.2940   1.5020 5.107000 3.005000 
1 1 1   44    7    0 f   5.4980   2.2750 -0.000000 0.000000 
1 1 1   44    7    1 o   24.760   0.6770 -3.769000 1.354000 
1 1 1   44    7    2 o   41.540   0.5912 1.148000 1.182000 
1 1 1   44    7    3 o   64.590   0.7308 -0.4029000 1.462000 
1 1 1   44    7    4 o   42.250   0.5906 1.128000 1.181000 
1 1 1   44    7    5 o   28.040   0.6399 -1.631000 1.280000 
1 1 1   44    7    6 o   22.820   0.7285 1.115000 1.457000 
1 1 1   44    7    7 o   49.940   0.6271 0.3037000E-01 1.254000 
1 1 1   44    7    8 o   55.120   0.6568 -1.731000 1.314000 
1 1 1   44    7    9 o   24.860   0.6826 3.935000 1.365000 
1 1 1   44    7   10 o   8.1690   1.5840 4.694000 3.167000 
1 1 1   44    7   11 o   21.610   0.7787 3.571000 1.557000 
1 1 1   44    7   12 f   28.370   0.6693 -1.507000 1.339000 
1 1 1   44    7   13 o   46.610   0.6268 -1.485000 1.254000 
1 1 1   44    7   14 o   6.2740   1.7670 -0.1407000 3.533000 
1 1 1   44    7   15 o   38.510   0.6297 -2.959000 1.259000 
1 1 1   44    7   16 o   48.170   0.6553 3.135000 1.311000 
1 1 1   44    7   17 o   20.110   0.9401 1.555000 1.880000 
1 1 1   44    7   18 o   29.960   0.6740 4.606000 1.348000 
1 1 1   44    7   19 o   12.030   1.5580 2.911000 3.116000 
1 1 1   44    7   20 o   27.880   0.7428 3.280000 1.486000 
1 1 1   44    7   21 o   7.0820   1.8890 0.6803000 3.778000 
1 1 1   44    7   22 o   24.010   0.8607 1.027000 1.721000 
1 1 1   44    7   23 o   5.8040   1.7120 2.744000 3.424000 
1 1 1   44    7   24 o   20.940   1.0210 0.8430000 2.043000 
1 1 1   44    7   25 o   21.000   1.0260 1.168000 2.052000 
1 1 1   44    7   26 o   15.500   1.4150 2.193000 2.830000 
1 1 1   44    7   27 o   33.580   0.7088 0.6014000 1.418000 
1 1 1   44    7   28 o   7.1470   1.9650 -2.103000 3.930000 
1 1 1   44    7   29 o   7.0510   1.8600 1.316000 3.720000 
1 1 1   44    7   30 o   8.4400   1.9100 -1.082000 3.819000 
1 1 1   44    7   31 o   5.9460   1.7510 -2.561000 3.502000 
1 1 1   44    8    0 o   4.6360   2.1270 -0.000000 0.000000 
1 1 1   44    8    1 o   26.930   0.6776 1.217000 1.355000 
1 1 1   44    8    2 o   32.040   0.6200 0.9767000 1.240000 
1 1 1   44    8    3 f   33.550   0.6153 -1.864000 1.231000 
1 1 1   44    8    4 o   48.430   0.6348 3.535000 1.270000 
1 1 1   44    8    5 o   20.490   0.8336 1.031000 1.667000 
1 1 1   44    8    6 o   13.370   1.2400 -1.676000 2.479000 
1 1 1   44    8    7 o   27.350   0.6942 -0.4879000 1.388000 
1 1 1   44    8    8 o   29.730   0.6466 -2.229000 1.293000 
1 1 1   44    8    9 o   20.880   0.8426 -4.233000 1.685000 
1 1 1   44    8   10 o   31.980   0.6454 -0.3295000 1.291000 
1 1 1   44    8   11 o   47.940   0.6418 -1.588000 1.284000 
1 1 1   44    8   12 o   6.5870   1.6580 4.355000 3.315000 
1 1 1   44    8   13 o   48.600   0.6595 -1.157000 1.319000 
1 1 1   44    8   14 o   49.610   0.6618 -0.9960000 1.324000 
1 1 1   44    8   15 o   8.9810   1.7680 1.877000 3.536000 
1 1 1   44    8   16 o   17.660   1.0390 -5.811000 2.077000 
1 1 1   44    8   17 o   44.650   0.6244 -0.3312000 1.249000 
1 1 1   44    8   18 o   14.160   1.3890 2.371000 2.778000 
1 1 1   44    8   19 o   22.870   0.8835 -1.381000 1.767000 
1 1 1   44    8   20 o   27.530   0.7817 -1.058000 1.563000 
1 1 1   44    8   21 o   19.010   1.1000 -4.328000 2.199000 
1 1 1   44    8   22 o   9.0370   1.9780 2.256000 3.955000 
1 1 1   44    8   23 o   19.600   1.1180 2.402000 2.235000 
1 1 1   44    8   24 o   23.320   0.9709 -0.2104000 1.942000 
1 1 1   44    8   25 o   22.350   1.0100 0.2814000 2.020000 
1 1 1   44    8   26 o   10.890   2.1140 2.361000 4.228000 
1 1 1   44    8   27 o   16.570   1.3100 -4.267000 2.621000 
1 1 1   44    8   28 o   8.1880   1.9900 -2.578000 3.979000 
1 1 1   44    8   29 o   6.4200   1.7190 3.071000 3.437000 
1 1 1   44    8   30 o   6.9870   1.9090 0.1306000 3.818000 
1 1 1   44    9    0 o   7.4020   2.5840 -0.000000 0.000000 
1 1 1   44    9    1 o   33.560   0.6400 1.848000 1.280000 
1 1 1   44    9    2 o   58.990   0.7071 0.6140000 1.414000 
1 1 1   44    9    3 o   39.030   0.6371 -5.023000 1.274000 
1 1 1   44    9    4 o   18.070   0.9998 -1.046000 2.000000 
1 1 1   44    9    5 o   33.130   0.6571 -0.8519000 1.314000 
1 1 1   44    9    6 o   17.630   1.0320 -2.285000 2.065000 
1 1 1   44    9    7 o   29.630   0.7069 2.353000 1.414000 
1 1 1   44    9    8 o   26.440   0.7292 -1.515000 1.458000 
1 1 1   44    9    9 o   31.660   0.6747 0.1265000E-01 1.349000 
1 1 1   44    9   10 f   22.740   0.8386 -0.8952000 1.677000 
1 1 1   44    9   11 o   25.160   0.7823 -2.380000 1.565000 
1 1 1   44    9   12 o   61.520   0.7381 -0.4678000 1.476000 
1 1 1   44    9   13 o   35.850   0.6232 -1.610000 1.246000 
1 1 1   44    9   14 o   47.560   0.6221 -1.466000 1.244000 
1 1 1   44    9   15 o   8.2110   1.7980 3.790000 3.597000 
1 1 1   44    9   16 o   28.170   0.8676 -0.8509000 1.735000 
1 1 1   44    9   17 o   29.720   0.7358 -1.199000 1.472000 
1 1 1   44    9   18 o   23.920   0.8778 2.383000 1.756000 
1 1 1   44    9   19 o   10.710   1.8880 1.619000 3.777000 
1 1 1   44    9   20 o   32.820   0.7395 0.1055000 1.479000 
1 1 1   44    9   21 f   11.660   1.8730 1.838000 3.746000 
1 1 1   44    9   22 o   10.040   2.0400 -0.6300000 4.079000 
1 1 1   44    9   23 o   25.650   0.9196 -1.267000 1.839000 
1 1 1   44    9   24 o   18.940   1.2610 2.337000 2.522000 
1 1 1   44    9   25 o   10.130   2.0240 1.707000 4.048000 
1 1 1   44    9   26 o   17.390   1.3290 1.179000 2.659000 
1 1 1   44    9   27 o   5.9260   1.8480 -2.531000 3.696000 
1 1 1   44    9   28 o   15.580   1.3760 -2.991000 2.753000 
1 1 1   44    9   29 o   6.8430   1.8750 1.411000 3.751000 
1 1 1   44    9   30 o   10.950   1.7860 2.748000 3.572000 
1 1 1   44   10    0 o   10.630   2.4590 -0.000000 0.000000 
1 1 1   44   10    1 o   5.7080   1.7570 -0.6007000E-01 3.514000 
1 1 1   44   10    2 o   22.060   0.8825 1.365000 1.765000 
1 1 1   44   10    3 o   38.260   0.6591 -2.211000 1.318000 
1 1 1   44   10    4 o   38.690   0.6657 -2.416000 1.331000 
1 1 1   44   10    5 o   6.6340   1.7550 4.209000 3.511000 
1 1 1   44   10    6 o   29.920   0.7310 -1.019000 1.462000 
1 1 1   44   10    7 o   18.190   1.1010 1.818000 2.202000 
1 1 1   44   10    8 o   29.130   0.7598 -5.820000 1.520000 
1 1 1   44   10    9 o   20.470   0.9789 -3.070000 1.958000 
1 1 1   44   10   10 f   13.400   1.4320 1.556000 2.864000 
1 1 1   44   10   11 o   29.940   0.7041 -1.959000 1.408000 
1 1 1   44   10   12 o   51.360   0.6377 1.893000 1.275000 
1 1 1   44   10   13 o   69.890   0.7461 -0.7026000 1.492000 
1 1 1   44   10   14 o   27.910   0.8596 6.314000 1.719000 
1 1 1   44   10   15 o   24.570   0.8762 3.274000 1.752000 
1 1 1   44   10   16 o   32.980   0.7205 0.8725000 1.441000 
1 1 1   44   10   17 o   42.260   0.6711 -4.027000 1.342000 
1 1 1   44   10   18 f   15.520   1.4370 1.407000 2.873000 
1 1 1   44   10   19 o   38.720   0.6953 1.645000 1.391000 
1 1 1   44   10   20 o   22.220   1.0550 2.162000 2.109000 
1 1 1   44   10   21 o   19.210   1.2240 -1.094000 2.449000 
1 1 1   44   10   22 o   23.140   1.0600 -2.490000 2.119000 
1 1 1   44   10   23 o   12.060   2.0110 1.804000 4.022000 
1 1 1   44   10   24 o   8.6690   2.1100 -3.128000 4.221000 
1 1 1   44   10   25 o   11.630   1.8750 6.409000 3.750000 
1 1 1   44   10   26 o   19.610   1.1990 -2.331000 2.398000 
1 1 1   44   10   27 o   15.010   1.5690 1.352000 3.138000 
1 1 1   44   10   28 o   16.120   1.3830 1.061000 2.765000 
1 1 1   44   10   29 o   13.730   1.7990 9.422000 3.598000 
1 1 1   44   11    0 o   8.6550   2.8150 -0.000000 0.000000 
1 1 1   44   11    1 o   49.370   0.6925 -1.360000 1.385000 
1 1 1   44   11    2 o   59.410   0.7368 0.6046000 1.474000 
1 1 1   44   11    3 f   33.970   0.7110 3.942000 1.422000 
1 1 1   44   11    4 o   39.840   0.6855 -4.701000 1.371000 
1 1 1   44   11    5 o   30.450   0.7795 -3.761000 1.559000 
1 1 1   44   11    6 o   34.420   0.6518 4.325000 1.304000 
1 1 1   44   11    7 o   33.810   0.7332 -4.623000 1.466000 
1 1 1   44   11    8 o   33.800   0.6698 -0.4433000 1.340000 
1 1 1   44   11    9 o   14.360   1.3740 -1.559000 2.748000 
1 1 1   44   11   10 o   53.160   0.6509 -0.8801000E-02 1.302000 
1 1 1   44   11   11 o   34.510   0.6925 3.476000 1.385000 
1 1 1   44   11   12 o   46.460   0.6534 -0.9089000 1.307000 
1 1 1   44   11   13 o   14.820   1.4420 1.833000 2.884000 
1 1 1   44   11   14 o   19.460   1.0680 -2.169000 2.137000 
1 1 1   44   11   15 o   29.190   0.9476 1.416000 1.895000 
1 1 1   44   11   16 o   10.080   1.7190 7.883000 3.437000 
1 1 1   44   11   17 o   11.700   1.9210 -2.338000 3.842000 
1 1 1   44   11   18 o   24.850   0.9696 1.707000 1.939000 
1 1 1   44   11   19 o   15.870   1.5260 -2.061000 3.051000 
1 1 1   44   11   20 o   17.920   1.3940 1.830000 2.789000 
1 1 1   44   11   21 o   12.620   1.9800 -0.4568000 3.960000 
1 1 1   44   11   22 o   27.360   0.9691 -2.488000 1.938000 
1 1 1   44   11   23 o   13.850   1.9720 0.5363000 3.944000 
1 1 1   44   11   24 o   7.2810   2.0060 -4.679000 4.011000 
1 1 1   44   11   25 o   13.160   1.9130 4.777000 3.825000 
1 1 1   44   11   26 o   10.410   2.1160 -2.473000 4.233000 
1 1 1   44   11   27 o   9.0960   2.1290 -0.2981000 4.259000 
1 1 1   44   11   28 o   8.0680   2.0740 -2.523000 4.149000 
1 1 1   44   12    0 f   17.110   1.8250 -0.000000 0.000000 
1 1 1   44   12    1 f   13.720   1.6760 5.628000 3.351000 
1 1 1   44   12    2 o   38.640   0.6610 3.229000 1.322000 
1 1 1   44   12    3 o   28.090   0.7662 -0.6106000E-01 1.532000 
1 1 1   44   12    4 o   6.2530   1.8360 -1.908000 3.673000 
1 1 1   44   12    5 o   27.880   0.7743 -0.5263000 1.549000 
1 1 1   44   12    6 o   15.650   1.3310 -2.234000 2.662000 
1 1 1   44   12    7 o   8.6850   1.9860 -1.301000 3.972000 
1 1 1   44   12    8 o   18.720   1.1270 1.024000 2.254000 
1 1 1   44   12    9 o   30.510   0.7642 1.476000 1.528000 
1 1 1   44   12   10 o   20.800   1.0490 -3.841000 2.099000 
1 1 1   44   12   11 o   28.820   0.8141 -4.114000 1.628000 
1 1 1   44   12   12 o   15.680   1.4300 0.3602000 2.859000 
1 1 1   44   12   13 o   5.5970   1.7960 -0.8894000 3.592000 
1 1 1   44   12   14 o   14.600   1.5960 -0.7763000 3.192000 
1 1 1   44   12   15 o   18.500   1.2780 0.5320000 2.556000 
1 1 1   44   12   16 o   8.4060   2.1300 1.635000 4.260000 
1 1 1   44   12   17 o   11.850   1.9800 -6.092000 3.960000 
1 1 1   44   12   18 o   19.640   1.2650 -1.673000 2.530000 
1 1 1   44   12   19 o   17.900   1.4680 2.974000 2.937000 
1 1 1   44   12   20 o   16.790   1.6320 1.521000 3.264000 
1 1 1   44   12   21 f   10.650   2.1140 -6.459000 4.228000 
1 1 1   44   12   22 o   8.4500   2.2350 -0.4428000 4.469000 
1 1 1   44   12   23 o   17.010   1.5750 1.629000 3.151000 
1 1 1   44   12   24 o   14.220   1.8180 1.042000 3.636000 
1 1 1   44   12   25 o   8.6900   2.0850 3.574000 4.171000 
1 1 1   44   12   26 o   12.210   2.0060 -4.389000 4.013000 
1 1 1   44   12   27 o   13.620   1.7710 -0.2876000 3.542000 
1 1 1   44   12   28 o   9.9900   3.7950      ?      ? 
1 1 1   44   13    0 o   28.360   1.0410 -0.000000 0.000000 
1 1 1   44   13    1 o   12.180   1.6400 4.685000 3.280000 
1 1 1   44   13    2 o   22.590   0.9086 0.6021000E-01 1.817000 
1 1 1   44   13    3 o   16.350   1.2390 -3.389000 2.479000 
1 1 1   44   13    4 o   32.090   0.7436 1.328000 1.487000 
1 1 1   44   13    5 f   24.070   0.9544 -3.140000 1.909000 
1 1 1   44   13    6 o   15.350   1.4680 1.030000 2.936000 
1 1 1   44   13    7 o   17.730   1.2480 -0.9134000 2.497000 
1 1 1   44   13    8 o   22.710   1.0590 3.619000 2.117000 
1 1 1   44   13    9 o   16.490   1.4310 3.064000 2.861000 
1 1 1   44   13   10 o   16.880   1.3900 -4.111000 2.780000 
1 1 1   44   13   11 o   30.110   0.8415 0.1948000 1.683000 
1 1 1   44   13   12 o   24.100   1.0390 -2.164000 2.078000 
1 1 1   44   13   13 o   21.070   1.1720 -3.328000 2.343000 
1 1 1   44   13   14 o   9.6140   2.1450 2.628000 4.291000 
1 1 1   44   13   15 o   27.530   0.9564 -2.133000 1.913000 
1 1 1   44   13   16 o   10.440   2.1980 -2.368000 4.397000 
1 1 1   44   13   17 o   22.270   1.1940 -0.1542000 2.389000 
1 1 1   44   13   18 o   8.6670   2.2540 0.2811000 4.509000 
1 1 1   44   13   19 o   12.970   2.0610 0.9591000 4.122000 
1 1 1   44   13   20 o   9.2630   2.1620 -5.586000 4.325000 
1 1 1   44   13   21 o   12.820   2.0720 4.540000 4.143000 
1 1 1   44   13   22 o   11.080   2.2670 -0.1748000 4.535000 
1 1 1   44   13   23 o   8.5540   2.2560 0.5031000E-02 4.511000 
1 1 1   44   13   24 f   5.9060   1.9060 -0.3943000 3.812000 
1 1 1   44   13   25 o   8.5610   2.0580 3.259000 4.115000 
1 1 1   44   13   26 o   8.0880   2.1500 -0.4934000E-01 4.300000 
1 1 1   44   13   27 o   9.5820   2.5890 -1.551000 5.178000 
1 1 1   44   14    0 o   21.440   1.4330 -0.000000 0.000000 
1 1 1   44   14    1 o   29.160   0.7798 0.3285000 1.560000 
1 1 1   44   14    2 o   30.410   0.7590 -1.455000 1.518000 
1 1 1   44   14    3 o   26.680   0.8298 1.833000 1.660000 
1 1 1   44   14    4 o   30.210   0.7715 -4.730000 1.543000 
1 1 1   44   14    5 o   42.110   0.6524 1.235000 1.305000 
1 1 1   44   14    6 o   28.290   0.8107 -4.814000 1.621000 
1 1 1   44   14    7 o   9.6030   2.0050 -3.177000 4.011000 
1 1 1   44   14    8 o   8.9780   2.0920 1.685000 4.184000 
1 1 1   44   14    9 o   25.320   0.9303 -1.053000 1.861000 
1 1 1   44   14   10 o   33.640   0.8122 -1.187000 1.624000 
1 1 1   44   14   11 o   9.6990   1.9000 7.410000 3.800000 
1 1 1   44   14   12 o   22.600   1.1580 -1.029000 2.316000 
1 1 1   44   14   13 o   6.9390   2.0950 0.1914000 4.190000 
1 1 1   44   14   14 o   8.7170   2.2370 2.669000 4.474000 
1 1 1   44   14   15 o   17.430   1.7030 -9.768000 3.405000 
1 1 1   44   14   16 o   22.230   1.2620 -6.336000 2.525000 
1 1 1   44   14   17 o   9.3760   2.2730 2.546000 4.546000 
1 1 1   44   14   18 o   9.7360   2.2950 -2.672000 4.590000 
1 1 1   44   14   19 o   9.5400   2.3120 -0.5966000 4.625000 
1 1 1   44   14   20 o   11.780   2.1470 -4.220000 4.295000 
1 1 1   44   14   21 o   7.9430   2.2340 -2.427000 4.468000 
1 1 1   44   14   22 o   7.5680   2.1980 -1.652000 4.396000 
1 1 1   44   14   23 o   7.0400   2.1200 -0.2602000 4.240000 
1 1 1   44   14   24 o   8.2960   2.0780 3.852000 4.156000 
1 1 1   44   14   25 o   10.560   2.1720 -0.2738000 4.343000 
1 1 1   44   14   26 o   8.9160   3.7470      ?      ? 
1 1 1   44   15    0 o   6.0280   2.6520 -0.000000 0.000000 
1 1 1   44   15    1 o   34.630   0.7325 1.747000 1.465000 
1 1 1   44   15    2 o   34.680   0.7366 -0.5658000 1.473000 
1 1 1   44   15    3 o   6.4850   1.9240 2.169000 3.847000 
1 1 1   44   15    4 o   10.360   2.0790 0.4576000 4.158000 
1 1 1   44   15    5 o   7.2690   2.0390 -1.461000 4.079000 
1 1 1   44   15    6 o   10.350   2.0900 -0.7441000 4.180000 
1 1 1   44   15    7 o   5.8380   1.8450 -1.417000 3.690000 
1 1 1   44   15    8 o   27.250   0.9064 2.311000 1.813000 
1 1 1   44   15    9 o   12.180   1.9480 4.355000 3.895000 
1 1 1   44   15   10 o   13.150   1.8930 -7.003000 3.786000 
1 1 1   44   15   11 o   7.4940   1.9120 -5.006000 3.823000 
1 1 1   44   15   12 o   7.8230   2.1500 2.151000 4.299000 
1 1 1   44   15   13 o   12.690   2.1770 6.010000 4.354000 
1 1 1   44   15   14 o   13.700   1.8970 -9.237000 3.793000 
1 1 1   44   15   15 o   12.690   2.0310 4.093000 4.062000 
1 1 1   44   15   16 o   12.530   2.0790 2.139000 4.157000 
1 1 1   44   15   17 o   16.350   1.6530 1.808000 3.307000 
1 1 1   44   15   18 o   9.6730   2.2520 1.049000 4.503000 
1 1 1   44   15   19 o   24.200   1.0900 0.4877000 2.181000 
1 1 1   44   15   20 o   7.9820   2.1320 3.204000 4.265000 
1 1 1   44   15   21 o   13.720   1.8250 11.45000 3.650000 
1 1 1   44   15   22 o   7.2900   2.1160 0.9165000 4.232000 
1 1 1   44   15   23 o   8.7530   2.1940 0.9341000 4.387000 
1 1 1   44   15   24 o   9.7360   2.1300 2.922000 4.260000 
1 1 1   44   16    0 o   20.080   1.7310 -0.000000 0.000000 
1 1 1   44   16    1 o   11.710   2.0350 2.502000 4.069000 
1 1 1   44   16    2 o   22.910   1.0890 -3.446000 2.178000 
1 1 1   44   16    3 o   8.8530   2.1480 2.948000 4.297000 
1 1 1   44   16    4 o   7.5370   1.9990 -4.109000 3.998000 
1 1 1   44   16    5 o   28.640   0.9135 -1.234000 1.827000 
1 1 1   44   16    6 o   10.810   2.1850 -1.074000 4.370000 
1 1 1   44   16    7 o   25.100   1.0560 -0.2782000 2.112000 
1 1 1   44   16    8 o   29.960   0.9173 1.790000 1.835000 
1 1 1   44   16    9 f   8.4970   2.2200 -1.642000 4.440000 
1 1 1   44   16   10 o   32.390   0.8782 -3.845000 1.756000 
1 1 1   44   16   11 o   15.080   1.8060 -1.348000 3.612000 
1 1 1   44   16   12 o   26.790   1.0220 -0.8815000 2.044000 
1 1 1   44   16   13 o   13.320   2.0460 -0.3861000 4.093000 
1 1 1   44   16   14 o   18.250   1.5010 -2.190000 3.001000 
1 1 1   44   16   15 o   16.170   1.6700 1.750000 3.341000 
1 1 1   44   16   16 o   7.7600   2.2120 0.9448000E-01 4.424000 
1 1 1   44   16   17 o   11.980   2.1590 3.256000 4.319000 
1 1 1   44   16   18 o   14.220   1.9450 3.813000 3.890000 
1 1 1   44   16   19 o   11.290   2.1620 -3.853000 4.323000 
1 1 1   44   16   20 o   8.7590   2.2210 -2.053000 4.441000 
1 1 1   44   16   21 o   6.2980   1.9760 -0.3219000 3.952000 
1 1 1   44   16   22 o   6.4520   1.9970 0.5039000 3.995000 
1 1 1   44   16   23 o   8.5640   2.1220 3.201000 4.245000 
1 1 1   44   17    0 o   6.8880   2.9430 -0.000000 0.000000 
1 1 1   44   17    1 o   25.930   1.0470 -0.5018000 2.094000 
1 1 1   44   17    2 o   10.450   2.1340 5.047000 4.268000 
1 1 1   44   17    3 o   11.470   2.1650 -2.429000 4.329000 
1 1 1   44   17    4 o   16.030   1.7460 -2.970000 3.492000 
1 1 1   44   17    5 o   8.0680   2.2380 0.8635000 4.476000 
1 1 1   44   17    6 o   8.2920   2.2670 0.4261000 4.535000 
1 1 1   44   17    7 o   10.640   2.2740 -1.264000 4.548000 
1 1 1   44   17    8 o   14.000   1.9720 4.099000 3.945000 
1 1 1   44   17    9 o   13.460   2.0410 2.850000 4.083000 
1 1 1   44   17   10 o   15.460   1.8100 2.026000 3.620000 
1 1 1   44   17   11 o   9.2140   2.2940 2.441000 4.588000 
1 1 1   44   17   12 o   15.940   1.8030 5.488000 3.606000 
1 1 1   44   17   13 o   9.6140   2.2580 -3.035000 4.516000 
1 1 1   44   17   14 o   13.810   2.0080 -0.1089000 4.017000 
1 1 1   44   17   15 o   14.320   1.9480 2.575000 3.896000 
1 1 1   44   17   16 o   7.4310   2.1690 -0.4509000 4.338000 
1 1 1   44   17   17 o   7.2560   2.1370 1.040000 4.275000 
1 1 1   44   17   18 o   9.0350   2.2490 1.845000 4.498000 
1 1 1   44   17   19 o   8.9940   2.1340 4.538000 4.268000 
1 1 1   44   17   20 o   9.2550   2.1450 1.173000 4.290000 
1 1 1   44   17   21 o   11.790   1.8080 -7.477000 3.616000 
1 1 1   44   18    0 o   8.0380   3.2440 -0.000000 0.000000 
1 1 1   44   18    1 o   10.130   2.1560 6.203000 4.312000 
1 1 1   44   18    2 o   25.930   1.1090 -1.415000 2.217000 
1 1 1   44   18    3 o   25.180   1.1510 0.5010000 2.302000 
1 1 1   44   18    4 o   18.030   1.6100 -2.748000 3.220000 
1 1 1   44   18    5 o   17.550   1.6320 -0.9176000 3.263000 
1 1 1   44   18    6 o   7.0440   2.1270 2.295000 4.253000 
1 1 1   44   18    7 o   11.260   2.3080 2.087000 4.615000 
1 1 1   44   18    8 o   10.410   2.3650 -0.9707000 4.730000 
1 1 1   44   18    9 o   11.020   2.2380 -4.816000 4.477000 
1 1 1   44   18   10 o   19.420   1.4500 1.490000 2.900000 
1 1 1   44   18   11 o   7.0210   2.1240 1.003000 4.247000 
1 1 1   44   18   12 o   13.210   2.0890 -4.622000 4.177000 
1 1 1   44   18   13 o   13.960   2.0740 1.828000 4.148000 
1 1 1   44   18   14 o   5.8710   1.8900 0.9946000E-01 3.779000 
1 1 1   44   18   15 o   8.2150   2.1340 2.748000 4.268000 
1 1 1   44   18   16 o   10.160   2.1140 -1.073000 4.228000 
1 1 1   44   18   17 o   8.2730   2.0910 -1.685000 4.181000 
1 1 1   44   18   18 o   8.2100   2.0580 -2.406000 4.116000 
1 1 1   44   18   19 o   7.9930   2.1120 0.2235000 4.224000 
1 1 1   44   18   20 o   7.2190   1.9200 -3.446000 3.840000 
1 1 1   44   19    0 o   15.810   2.6610 -0.000000 0.000000 
1 1 1   44   19    1 o   14.180   2.0920 3.572000 4.183000 
1 1 1   44   19    2 o   11.420   1.9170 10.20000 3.833000 
1 1 1   44   19    3 o   17.080   1.7010 -0.1523000 3.402000 
1 1 1   44   19    4 f   7.5610   2.2090 1.148000 4.418000 
1 1 1   44   19    5 o   10.430   2.2830 -3.394000 4.567000 
1 1 1   44   19    6 o   6.6050   2.0730 -0.6556000 4.145000 
1 1 1   44   19    7 o   7.2840   2.1590 -1.653000 4.318000 
1 1 1   44   19    8 o   24.110   1.1950 1.893000 2.390000 
1 1 1   44   19    9 o   19.300   1.5170 -0.3620000 3.034000 
1 1 1   44   19   10 o   11.200   2.1760 0.9549000E-01 4.351000 
1 1 1   44   19   11 o   12.800   1.9930 -0.2271000 3.985000 
1 1 1   44   19   12 o   10.230   2.2010 -0.1365000 4.402000 
1 1 1   44   19   13 o   10.200   2.2060 0.6585000 4.413000 
1 1 1   44   19   14 o   5.6220   1.8380 0.8487000 3.676000 
1 1 1   44   19   15 o   7.6770   2.1150 2.057000 4.231000 
1 1 1   44   19   16 o   8.7570   1.9370 6.631000 3.874000 
1 1 1   44   19   17 o   7.5240   1.9910 5.294000 3.983000 
1 1 1   44   19   18 o   7.7160   2.0880 -1.167000 4.175000 
1 1 1   44   20    0 o   6.3550   2.9090 -0.000000 0.000000 
1 1 1   44   20    1 o   8.3970   2.3290 -1.257000 4.658000 
1 1 1   44   20    2 o   7.5170   2.2230 -1.433000 4.445000 
1 1 1   44   20    3 o   11.900   2.1710 5.704000 4.343000 
1 1 1   44   20    4 o   10.390   2.3640 -2.005000 4.728000 
1 1 1   44   20    5 f   12.960   2.2120 -1.976000 4.423000 
1 1 1   44   20    6 o   10.690   2.3810 0.3176000 4.762000 
1 1 1   44   20    7 o   13.530   1.9560 0.6269000 3.911000 
1 1 1   44   20    8 o   8.1480   2.1350 4.329000 4.270000 
1 1 1   44   20    9 o   13.510   1.9080 -0.9378000 3.815000 
1 1 1   44   20   10 o   10.300   1.9720 -5.786000 3.945000 
1 1 1   44   20   11 o   11.270   2.1320 -0.8593000 4.265000 
1 1 1   44   20   12 o   8.6900   2.2070 0.2905000 4.413000 
1 1 1   44   20   13 o   7.3180   2.1120 1.850000 4.224000 
1 1 1   44   20   14 o   10.040   2.1740 0.9934000 4.348000 
1 1 1   44   20   15 o   5.9330   1.8820 2.386000 3.765000 
1 1 1   44   21    0 o   7.0920   3.0670 -0.000000 0.000000 
1 1 1   44   21    1 o   11.900   2.1590 6.839000 4.318000 
1 1 1   44   21    2 o   8.6870   2.1430 -5.995000 4.287000 
1 1 1   44   21    3 o   7.0490   2.1540 1.480000 4.308000 
1 1 1   44   21    4 o   5.5680   1.8730 0.4708000 3.746000 
1 1 1   44   21    5 o   8.2470   2.2110 -0.4744000 4.421000 
1 1 1   44   21    6 o   7.2150   2.1210 1.182000 4.243000 
1 1 1   44   21    7 o   6.8940   2.0350 -1.434000 4.070000 
1 1 1   44   21    8 o   7.5030   2.1200 -0.4169000 4.240000 
1 1 1   44   21    9 o   8.1300   2.1650 -0.1391000 4.331000 
1 1 1   44   21   10 o   6.7140   1.9770 -1.561000 3.954000 
1 1 1   44   21   11 o   11.150   2.0040 -3.781000 4.008000 
1 1 1   44   21   12 o   7.2670   2.0710 0.4325000 4.141000 
1 1 1   44   22    0 o   9.7660   3.3910 -0.000000 0.000000 
1 1 1   44   22    1 o   7.1550   2.1650 2.835000 4.330000 
1 1 1   44   22    2 o   6.4600   2.0250 -2.985000 4.051000 
1 1 1   44   22    3 o   6.3440   1.8920 -3.372000 3.784000 
1 1 1   44   22    4 f   6.8220   2.0430 -0.7825000 4.086000 
1 1 1   44   22    5 o   8.0190   2.1800 0.2094000 4.360000 
1 1 1   44   22    6 o   5.5570   1.8230 0.7918000 3.646000 
1 1 1   44   22    7 o   5.9840   1.8940 1.776000 3.788000 
1 1 1   44   22    8 o   9.3650   2.0340 -3.623000 4.068000 
1 1 1   45    0    1 o   13.060   1.3370 -0.000000 0.000000 
1 1 1   45    0    2 o   69.610   1.0720 -0.000000 0.000000 
1 1 1   45    0    3 o   7.3850   2.1330 -0.000000 0.000000 
1 1 1   45    0    4 o   6.1800   2.1370 -0.000000 0.000000 
1 1 1   45    0    5 o   33.990   0.7350 -0.000000 0.000000 
1 1 1   45    0    6 o   11.500   1.5310 -0.000000 0.000000 
1 1 1   45    0    7 o   5.8410   2.2100 -0.000000 0.000000 
1 1 1   45    0    8 o   31.660   0.7781 -0.000000 0.000000 
1 1 1   45    0    9 o   24.330   0.8646 -0.000000 0.000000 
1 1 1   45    0   10 o   45.710   0.8082 -0.000000 0.000000 
1 1 1   45    0   11 o   62.390   0.9880 -0.000000 0.000000 
1 1 1   45    0   12 o   20.820   0.9432 -0.000000 0.000000 
1 1 1   45    0   13 f   41.870   0.7952 -0.000000 0.000000 
1 1 1   45    0   14 o   19.300   1.0390 -0.000000 0.000000 
1 1 1   45    0   15 o   31.570   0.7921 -0.000000 0.000000 
1 1 1   45    0   16 o   26.410   0.8572 -0.000000 0.000000 
1 1 1   45    0   17 o   52.950   0.9022 -0.000000 0.000000 
1 1 1   45    0   18 f   28.770   0.8479 -0.000000 0.000000 
1 1 1   45    0   19 o   3.9230   1.8720 -0.000000 0.000000 
1 1 1   45    0   20 o   14.940   1.4730 -0.000000 0.000000 
1 1 1   45    0   21 o   13.070   1.6970 -0.000000 0.000000 
1 1 1   45    0   22 o   24.370   0.9947 -0.000000 0.000000 
1 1 1   45    0   23 o   11.070   2.1950 -0.000000 0.000000 
1 1 1   45    0   24 o   7.7940   2.5750 -0.000000 0.000000 
1 1 1   45    0   25 o   31.830   0.9346 -0.000000 0.000000 
1 1 1   45    0   26 o   11.800   2.2040 -0.000000 0.000000 
1 1 1   45    0   27 o   19.560   1.3660 -0.000000 0.000000 
1 1 1   45    0   28 o   3.7910   1.8530 -0.000000 0.000000 
1 1 1   45    0   29 o   5.7270   2.3970 -0.000000 0.000000 
1 1 1   45    0   30 o   26.260   0.9421 -0.000000 0.000000 
1 1 1   45    0   31 o   7.1180   2.2460 -0.000000 0.000000 
1 1 1   45    0   32 o   6.2370   2.9850 -0.000000 0.000000 
1 1 1   45    1    0 o   29.170   0.6114 -0.000000 0.000000 
1 1 1   45    1    1 o   42.050   0.4435 5.140000 0.8869000 
1 1 1   45    1    2 o   16.710   0.6024 4.610000 1.205000 
1 1 1   45    1    3 o   32.200   0.4177 -0.9891000 0.8353000 
1 1 1   45    1    4 o   37.410   0.4242 -1.774000 0.8483000 
1 1 1   45    1    5 o   48.060   0.5235 3.249000 1.047000 
1 1 1   45    1    6 o   30.050   0.4205 -0.5235000E-01 0.8410000 
1 1 1   45    1    7 o   62.210   0.5647 0.3454000 1.129000 
1 1 1   45    1    8 o   39.560   0.4326 -1.804000 0.8652000 
1 1 1   45    1    9 o   43.330   0.4510 4.975000 0.9019000 
1 1 1   45    1   10 o   27.520   0.4506 -5.074000 0.9012000 
1 1 1   45    1   11 o   52.930   0.5060 4.812000 1.012000 
1 1 1   45    1   12 o   28.010   0.4557 -1.482000 0.9114000 
1 1 1   45    1   13 o   30.570   0.4462 -1.950000 0.8923000 
1 1 1   45    1   14 o   27.330   0.5174 0.7753000E-01 1.035000 
1 1 1   45    1   15 o   10.310   1.2390 4.445000 2.478000 
1 1 1   45    1   16 o   20.360   0.6718 5.402000 1.344000 
1 1 1   45    1   17 o   41.590   0.5133 -0.4345000 1.027000 
1 1 1   45    1   18 o   84.280   0.8296 -0.6123000 1.659000 
1 1 1   45    1   19 o   41.730   0.5302 0.3793000 1.060000 
1 1 1   45    1   20 o   64.840   0.7395 -1.351000 1.479000 
1 1 1   45    1   21 o   20.300   0.8143 -1.939000 1.629000 
1 1 1   45    1   22 o   17.340   0.9380 1.200000 1.876000 
1 1 1   45    1   23 o   8.0780   1.8030 0.3076000 3.607000 
1 1 1   45    1   24 o   29.910   0.6692 -0.9338000 1.338000 
1 1 1   45    1   25 o   16.710   1.0530 -0.8618000 2.106000 
1 1 1   45    1   26 o   23.810   0.8216 -3.829000 1.643000 
1 1 1   45    1   27 o   11.060   2.4340      ?      ? 
1 1 1   45    1   28 o   14.360   1.2980 3.919000 2.597000 
1 1 1   45    1   29 o   15.500   1.0980 0.7080000 2.196000 
1 1 1   45    1   30 o   15.090   0.9122 -1.314000 1.824000 
1 1 1   45    1   31 o   11.830   0.9870 -4.139000 1.974000 
1 1 1   45    1   32 o   5.9680   1.9950 4.907000 3.991000 
1 1 1   45    2    0 o   28.730   0.7267 -0.000000 0.000000 
1 1 1   45    2    1 o   78.450   0.8424 -6.295000 1.685000 
1 1 1   45    2    2 o   10.410   1.1860 5.128000 2.371000 
1 1 1   45    2    3 o   28.430   0.5205 -4.421000 1.041000 
1 1 1   45    2    4 o   18.560   0.6476 -1.367000 1.295000 
1 1 1   45    2    5 o   32.640   0.5174 5.153000 1.035000 
1 1 1   45    2    6 o   20.980   0.6017 -5.192000 1.203000 
1 1 1   45    2    7 o   38.220   0.5176 0.8512000 1.035000 
1 1 1   45    2    8 o   22.000   0.5915 -3.405000 1.183000 
1 1 1   45    2    9 o   26.100   0.5531 -3.456000 1.106000 
1 1 1   45    2   10 o   37.560   0.5253 0.8731000 1.051000 
1 1 1   45    2   11 f   41.580   0.5429 -1.098000 1.086000 
1 1 1   45    2   12 o   11.160   1.0520 -4.779000 2.105000 
1 1 1   45    2   13 o   24.810   0.5473 -6.001000 1.095000 
1 1 1   45    2   14 f   28.870   0.5131 -3.488000 1.026000 
1 1 1   45    2   15 o   21.220   0.6357 3.634000 1.271000 
1 1 1   45    2   16 o   32.090   0.5180 -2.085000 1.036000 
1 1 1   45    2   17 o   4.4320   1.3250 1.574000 2.649000 
1 1 1   45    2   18 o   9.0340   1.4080 1.545000 2.817000 
1 1 1   45    2   19 o   39.610   0.4716 -3.364000 0.9432000 
1 1 1   45    2   20 o   28.060   0.5281 -2.700000 1.056000 
1 1 1   45    2   21 o   11.130   1.2970 -1.543000 2.594000 
1 1 1   45    2   22 o   15.740   0.9205 -1.723000 1.841000 
1 1 1   45    2   23 o   33.570   0.5756 1.033000 1.151000 
1 1 1   45    2   24 o   12.210   1.3790 3.896000 2.759000 
1 1 1   45    2   25 o   6.1050   1.6840 -1.269000 3.368000 
1 1 1   45    2   26 o   9.5840   1.6340 0.3177000 3.268000 
1 1 1   45    2   27 o   20.090   0.8528 0.5603000 1.706000 
1 1 1   45    2   28 o   15.090   1.2490 0.7212000 2.499000 
1 1 1   45    2   29 o   7.6170   1.7570 -2.417000 3.514000 
1 1 1   45    2   30 o   22.460   0.6916 -0.3789000 1.383000 
1 1 1   45    2   31 o   10.510   1.4700 3.501000 2.940000 
1 1 1   45    2   32 o   7.7180   2.1560 2.654000 4.312000 
1 1 1   45    3    0 o   7.4200   2.0400 -0.000000 0.000000 
1 1 1   45    3    1 o   52.380   0.6072 0.1091000 1.214000 
1 1 1   45    3    2 o   33.170   0.5114 -3.245000 1.023000 
1 1 1   45    3    3 o   23.140   0.5733 -2.541000 1.147000 
1 1 1   45    3    4 o   14.030   0.8475 1.159000 1.695000 
1 1 1   45    3    5 o   24.650   0.5715 -1.507000 1.143000 
1 1 1   45    3    6 o   59.590   0.6670 4.020000 1.334000 
1 1 1   45    3    7 o   4.9150   1.4390 -1.008000 2.878000 
1 1 1   45    3    8 o   39.630   0.5280 -2.534000 1.056000 
1 1 1   45    3    9 o   37.930   0.5380 -2.080000 1.076000 
1 1 1   45    3   10 o   51.690   0.6116 -0.2735000 1.223000 
1 1 1   45    3   11 o   18.290   0.7194 0.2276000 1.439000 
1 1 1   45    3   12 o   52.470   0.6179 -0.2619000 1.236000 
1 1 1   45    3   13 f   13.120   0.9977 -3.321000 1.995000 
1 1 1   45    3   14 o   23.740   0.6273 0.2452000 1.255000 
1 1 1   45    3   15 o   64.450   0.7247 2.877000 1.449000 
1 1 1   45    3   16 o   15.330   0.9274 1.348000 1.855000 
1 1 1   45    3   17 o   9.2270   1.5210 -1.093000 3.043000 
1 1 1   45    3   18 o   79.480   0.8647 0.6647000 1.729000 
1 1 1   45    3   19 o   57.210   0.6725 -1.412000 1.345000 
1 1 1   45    3   20 o   16.330   0.8829 -2.578000 1.766000 
1 1 1   45    3   21 o   34.610   0.5630 -1.328000 1.126000 
1 1 1   45    3   22 o   4.2490   1.4200 -1.476000 2.839000 
1 1 1   45    3   23 o   55.520   0.6290 1.876000 1.258000 
1 1 1   45    3   24 o   18.280   0.9481 1.898000 1.896000 
1 1 1   45    3   25 o   32.520   0.6199 -0.7163000 1.240000 
1 1 1   45    3   26 o   24.760   0.7476 0.9016000 1.495000 
1 1 1   45    3   27 o   15.360   1.0560 -3.817000 2.111000 
1 1 1   45    3   28 o   13.350   1.1930 -3.729000 2.387000 
1 1 1   45    3   29 o   17.330   0.9331 1.226000 1.866000 
1 1 1   45    3   30 o   6.7890   1.5120 1.889000 3.024000 
1 1 1   45    3   31 o   5.4970   1.5540 -1.722000 3.108000 
1 1 1   45    3   32 o   9.2430   1.3580 3.669000 2.717000 
1 1 1   45    4    0 o   55.180   0.8983 -0.000000 0.000000 
1 1 1   45    4    1 o   8.4900   1.3560 4.484000 2.711000 
1 1 1   45    4    2 o   36.070   0.5277 -2.262000 1.055000 
1 1 1   45    4    3 o   28.750   0.5340 2.553000 1.068000 
1 1 1   45    4    4 o   28.190   0.5433 1.598000 1.087000 
1 1 1   45    4    5 o   16.180   0.8385 -5.642000 1.677000 
1 1 1   45    4    6 o   22.050   0.6075 4.238000 1.215000 
1 1 1   45    4    7 o   26.380   0.5502 1.125000 1.100000 
1 1 1   45    4    8 f   17.480   0.7247 -0.8200000 1.449000 
1 1 1   45    4    9 o   46.970   0.5811 -5.268000 1.162000 
1 1 1   45    4   10 o   31.490   0.5544 0.4289000 1.109000 
1 1 1   45    4   11 o   32.490   0.5421 -0.9848000 1.084000 
1 1 1   45    4   12 o   30.340   0.5613 3.041000 1.123000 
1 1 1   45    4   13 o   39.770   0.5599 -1.161000 1.120000 
1 1 1   45    4   14 o   9.8230   1.3930 2.313000 2.786000 
1 1 1   45    4   15 o   28.910   0.5849 1.028000 1.170000 
1 1 1   45    4   16 o   22.920   0.6651 -2.477000 1.330000 
1 1 1   45    4   17 o   59.570   0.6890 -1.231000 1.378000 
1 1 1   45    4   18 o   19.130   0.8379 3.119000 1.676000 
1 1 1   45    4   19 o   53.230   0.6528 2.274000 1.306000 
1 1 1   45    4   20 o   23.060   0.7913 1.330000 1.583000 
1 1 1   45    4   21 f   44.720   0.6332 3.104000 1.266000 
1 1 1   45    4   22 o   21.840   0.8702 1.475000 1.740000 
1 1 1   45    4   23 o   19.290   0.9660 -2.834000 1.932000 
1 1 1   45    4   24 o   30.390   0.7354 3.105000 1.471000 
1 1 1   45    4   25 o   23.630   0.9846 -6.757000 1.969000 
1 1 1   45    4   26 o   18.440   0.9460 0.3320000E-01 1.892000 
1 1 1   45    4   27 o   8.9530   1.9860      ?      ? 
1 1 1   45    4   28 o   31.490   0.6428 -1.698000 1.286000 
1 1 1   45    4   29 o   15.520   1.1000 -0.8078000 2.200000 
1 1 1   45    4   30 o   11.410   1.5220 2.972000 3.045000 
1 1 1   45    4   31 o   9.3750   1.5140 -4.249000 3.027000 
1 1 1   45    4   32 o   8.7790   1.5820 -2.909000 3.164000 
1 1 1   45    5    0 o   5.8780   2.2410 -0.000000 0.000000 
1 1 1   45    5    1 o   35.740   0.5456 -2.759000 1.091000 
1 1 1   45    5    2 o   26.900   0.5813 -3.249000 1.163000 
1 1 1   45    5    3 f   21.250   0.6615 4.689000 1.323000 
1 1 1   45    5    4 o   32.050   0.5431 1.252000 1.086000 
1 1 1   45    5    5 o   16.720   0.8357 2.230000 1.671000 
1 1 1   45    5    6 o   31.230   0.5546 -2.426000 1.109000 
1 1 1   45    5    7 o   6.6010   1.5350 2.566000 3.071000 
1 1 1   45    5    8 o   37.020   0.5434 -1.463000 1.087000 
1 1 1   45    5    9 o   31.000   0.5647 0.7539000 1.129000 
1 1 1   45    5   10 o   26.640   0.6146 -4.693000 1.229000 
1 1 1   45    5   11 o   31.710   0.5634 0.4782000 1.127000 
1 1 1   45    5   12 o   39.450   0.5660 -1.407000 1.132000 
1 1 1   45    5   13 o   24.670   0.6467 2.640000 1.293000 
1 1 1   45    5   14 o   38.760   0.5742 -2.652000 1.148000 
1 1 1   45    5   15 o   25.140   0.6517 -0.7840000 1.303000 
1 1 1   45    5   16 o   55.400   0.6632 1.441000 1.326000 
1 1 1   45    5   17 o   31.640   0.6175 1.603000 1.235000 
1 1 1   45    5   18 f   50.280   0.6447 -1.710000 1.289000 
1 1 1   45    5   19 o   15.900   1.0860 -0.7791000 2.173000 
1 1 1   45    5   20 f   18.130   0.9986 2.228000 1.997000 
1 1 1   45    5   21 f   18.740   1.0130 1.446000 2.025000 
1 1 1   45    5   22 o   37.470   0.6669 -0.7829000 1.334000 
1 1 1   45    5   23 o   20.470   0.9062 -3.525000 1.812000 
1 1 1   45    5   24 o   24.860   0.8160 0.7231000 1.632000 
1 1 1   45    5   25 o   18.470   1.2460 5.334000 2.493000 
1 1 1   45    5   26 o   13.490   1.4410 -1.093000 2.882000 
1 1 1   45    5   27 o   26.440   0.7745 -0.9933000 1.549000 
1 1 1   45    5   28 o   24.750   0.8281 2.635000 1.656000 
1 1 1   45    5   29 o   16.820   1.1230 0.3667000 2.245000 
1 1 1   45    5   30 o   5.6920   1.6560 1.355000 3.313000 
1 1 1   45    5   31 o   4.9480   1.5630 -1.499000 3.126000 
1 1 1   45    6    0 o   6.3980   2.3070 -0.000000 0.000000 
1 1 1   45    6    1 f   22.100   0.6847 -2.400000 1.369000 
1 1 1   45    6    2 o   26.990   0.6181 4.585000 1.236000 
1 1 1   45    6    3 o   38.200   0.5702 -0.5528000 1.140000 
1 1 1   45    6    4 o   25.330   0.6362 1.444000 1.272000 
1 1 1   45    6    5 o   15.020   0.9943 -4.290000 1.989000 
1 1 1   45    6    6 o   36.500   0.5624 2.340000 1.125000 
1 1 1   45    6    7 o   41.410   0.5720 -1.661000 1.144000 
1 1 1   45    6    8 o   41.760   0.5756 0.6223000 1.151000 
1 1 1   45    6    9 o   35.600   0.5658 -0.1836000 1.132000 
1 1 1   45    6   10 o   21.080   0.7297 2.747000 1.459000 
1 1 1   45    6   11 o   50.170   0.6276 -2.005000 1.255000 
1 1 1   45    6   12 o   52.380   0.6452 -1.053000 1.290000 
1 1 1   45    6   13 o   7.4490   1.7690 0.2308000 3.538000 
1 1 1   45    6   14 o   80.910   0.8835 7.410000 1.767000 
1 1 1   45    6   15 o   14.040   1.2180 2.442000 2.436000 
1 1 1   45    6   16 o   40.800   0.6259 -0.2771000E-01 1.252000 
1 1 1   45    6   17 o   26.940   0.7224 -0.8805000 1.445000 
1 1 1   45    6   18 o   7.5010   1.8450 -2.856000 3.689000 
1 1 1   45    6   19 o   18.550   1.0300 -1.527000 2.059000 
1 1 1   45    6   20 o   21.530   0.9222 0.1498000E-01 1.844000 
1 1 1   45    6   21 f   21.540   0.9156 3.721000 1.831000 
1 1 1   45    6   22 o   15.490   1.2260 -1.917000 2.452000 
1 1 1   45    6   23 o   21.400   0.9477 2.380000 1.895000 
1 1 1   45    6   24 o   22.650   0.9062 -1.764000 1.812000 
1 1 1   45    6   25 o   24.160   0.8413 -2.658000 1.683000 
1 1 1   45    6   26 f   17.790   1.1990 3.095000 2.398000 
1 1 1   45    6   27 f   12.390   1.6800 3.283000 3.361000 
1 1 1   45    6   28 o   9.3530   1.9390 0.5432000 3.879000 
1 1 1   45    6   29 o   10.480   1.8190 0.7197000 3.637000 
1 1 1   45    6   30 o   17.360   1.1950 2.934000 2.389000 
1 1 1   45    6   31 o   19.730   0.9443 0.5580000 1.889000 
1 1 1   45    7    0 o   53.700   0.9147 -0.000000 0.000000 
1 1 1   45    7    1 o   16.070   0.9254 2.075000 1.851000 
1 1 1   45    7    2 o   48.340   0.6174 1.029000 1.235000 
1 1 1   45    7    3 o   61.200   0.7048 1.814000 1.410000 
1 1 1   45    7    4 o   54.710   0.6580 -0.4552000 1.316000 
1 1 1   45    7    5 o   54.940   0.6624 0.7890000 1.325000 
1 1 1   45    7    6 o   82.270   0.8937 3.441000 1.787000 
1 1 1   45    7    7 o   41.980   0.5932 0.1731000 1.186000 
1 1 1   45    7    8 o   9.1120   1.5940 -3.163000 3.187000 
1 1 1   45    7    9 o   21.120   0.7725 -0.4524000 1.545000 
1 1 1   45    7   10 f   50.340   0.6369 3.617000 1.274000 
1 1 1   45    7   11 o   72.220   0.8016 2.040000 1.603000 
1 1 1   45    7   12 o   32.870   0.6315 2.114000 1.263000 
1 1 1   45    7   13 o   38.290   0.6309 -0.5049000 1.262000 
1 1 1   45    7   14 o   42.600   0.6303 -0.6497000 1.261000 
1 1 1   45    7   15 o   9.7910   1.6970 4.856000 3.394000 
1 1 1   45    7   16 o   43.840   0.6477 1.414000 1.295000 
1 1 1   45    7   17 o   25.550   0.7909 -0.2612000 1.582000 
1 1 1   45    7   18 o   42.990   0.6669 -2.999000 1.334000 
1 1 1   45    7   19 f   18.670   1.1220 6.851000 2.245000 
1 1 1   45    7   20 f   12.080   1.6120 -3.955000 3.224000 
1 1 1   45    7   21 o   10.780   1.8140 -0.6760000 3.628000 
1 1 1   45    7   22 o   15.620   1.4420 5.278000 2.884000 
1 1 1   45    7   23 o   17.620   1.2240 -2.483000 2.448000 
1 1 1   45    7   24 o   7.6810   1.7490 4.956000 3.498000 
1 1 1   45    7   25 f   10.260   1.9520 -2.563000 3.903000 
1 1 1   45    7   26 o   13.940   1.5040 -0.8598000 3.007000 
1 1 1   45    7   27 o   16.320   1.2970 -0.4734000E-01 2.594000 
1 1 1   45    7   28 o   7.0170   1.8220 2.526000 3.643000 
1 1 1   45    7   29 o   13.210   1.5180 -3.974000 3.037000 
1 1 1   45    7   30 o   12.200   1.5710 -0.2430000 3.142000 
1 1 1   45    7   31 f   8.0150   1.6390 -7.637000 3.278000 
1 1 1   45    8    0 o   8.7670   2.4100 -0.000000 0.000000 
1 1 1   45    8    1 o   21.130   0.7850 0.6027000 1.570000 
1 1 1   45    8    2 o   38.910   0.6022 2.131000 1.204000 
1 1 1   45    8    3 o   6.7830   1.7440 1.890000 3.489000 
1 1 1   45    8    4 o   38.980   0.6119 -4.012000 1.224000 
1 1 1   45    8    5 o   54.670   0.6678 -1.466000 1.336000 
1 1 1   45    8    6 o   24.540   0.7299 -3.962000 1.460000 
1 1 1   45    8    7 o   44.160   0.6294 1.585000 1.259000 
1 1 1   45    8    8 o   25.800   0.7174 -1.859000 1.435000 
1 1 1   45    8    9 o   57.150   0.6899 -3.014000 1.380000 
1 1 1   45    8   10 o   17.040   1.0040 -1.841000 2.007000 
1 1 1   45    8   11 o   63.410   0.7383 3.528000 1.477000 
1 1 1   45    8   12 o   39.720   0.6351 -2.810000 1.270000 
1 1 1   45    8   13 o   30.070   0.6840 -0.7464000E-01 1.368000 
1 1 1   45    8   14 o   16.640   1.1740 -3.468000 2.349000 
1 1 1   45    8   15 o   25.100   0.8107 3.176000 1.621000 
1 1 1   45    8   16 o   37.970   0.6187 -1.885000 1.237000 
1 1 1   45    8   17 o   57.380   0.6632 -0.9048000 1.326000 
1 1 1   45    8   18 o   7.1840   1.7460 3.930000 3.491000 
1 1 1   45    8   19 f   6.3510   1.8350 1.087000 3.670000 
1 1 1   45    8   20 o   11.370   1.7470 5.476000 3.495000 
1 1 1   45    8   21 o   15.100   1.4260 1.297000 2.853000 
1 1 1   45    8   22 o   7.6220   1.9250 2.846000 3.850000 
1 1 1   45    8   23 f   32.920   0.7463 1.435000 1.493000 
1 1 1   45    8   24 o   12.560   1.7650 0.2424000 3.531000 
1 1 1   45    8   25 o   18.100   1.4950      ?      ? 
1 1 1   45    8   26 o   19.200   1.1550 -0.3977000 2.310000 
1 1 1   45    8   27 o   11.940   1.8490 0.2692000 3.697000 
1 1 1   45    8   28 o   7.0890   1.9430 0.7503000E-01 3.885000 
1 1 1   45    8   29 o   14.110   1.4460 -0.4946000E-01 2.891000 
1 1 1   45    8   30 o   11.610   1.6860 -4.042000 3.372000 
1 1 1   45    9    0 o   8.8240   2.5890 -0.000000 0.000000 
1 1 1   45    9    1 o   65.100   0.7570 -0.4930000 1.514000 
1 1 1   45    9    2 o   56.780   0.6927 0.4396000 1.385000 
1 1 1   45    9    3 o   18.280   1.0140 -7.191000 2.028000 
1 1 1   45    9    4 o   19.440   0.9641 -0.5367000 1.928000 
1 1 1   45    9    5 o   12.690   1.4270 -0.7579000 2.854000 
1 1 1   45    9    6 o   73.730   0.8275 1.379000 1.655000 
1 1 1   45    9    7 o   49.430   0.6581 2.019000 1.316000 
1 1 1   45    9    8 o   26.910   0.7273 0.6717000 1.455000 
1 1 1   45    9    9 o   37.640   0.6499 -2.690000 1.300000 
1 1 1   45    9   10 o   21.600   0.8555 -0.7845000 1.711000 
1 1 1   45    9   11 o   24.940   0.7994 -0.2811000 1.599000 
1 1 1   45    9   12 o   13.250   1.5690 8.523000 3.138000 
1 1 1   45    9   13 o   26.490   0.7400 -2.574000 1.480000 
1 1 1   45    9   14 o   36.430   0.6391 0.2678000 1.278000 
1 1 1   45    9   15 o   33.360   0.6716 -2.725000 1.343000 
1 1 1   45    9   16 o   81.010   0.8268 -0.7921000 1.654000 
1 1 1   45    9   17 o   24.000   0.8788 1.420000 1.758000 
1 1 1   45    9   18 o   30.870   0.7396 1.245000 1.479000 
1 1 1   45    9   19 o   35.640   0.6955 -0.9970000 1.391000 
1 1 1   45    9   20 o   16.670   1.3000 -0.7054000E-01 2.601000 
1 1 1   45    9   21 o   22.100   1.0230 -3.610000 2.046000 
1 1 1   45    9   22 o   19.240   1.1810 -2.505000 2.361000 
1 1 1   45    9   23 o   6.6880   1.9840 -1.326000 3.968000 
1 1 1   45    9   24 o   17.260   1.3600 0.5550000 2.720000 
1 1 1   45    9   25 o   8.1660   2.1010 -0.2751000 4.201000 
1 1 1   45    9   26 o   13.000   1.8250 1.987000 3.650000 
1 1 1   45    9   27 o   10.270   1.8970 3.871000 3.794000 
1 1 1   45    9   28 o   8.3460   1.9030 2.971000 3.806000 
1 1 1   45    9   29 o   8.8130   1.9520 1.653000 3.905000 
1 1 1   45    9   30 o   7.4030   2.0770 -1.178000 4.155000 
1 1 1   45   10    0 o   6.9730   2.6550 -0.000000 0.000000 
1 1 1   45   10    1 o   17.610   1.0760 1.123000 2.152000 
1 1 1   45   10    2 o   8.1080   1.7090 -5.673000 3.418000 
1 1 1   45   10    3 o   24.750   0.8258 1.562000 1.652000 
1 1 1   45   10    4 o   34.300   0.6878 -5.040000 1.376000 
1 1 1   45   10    5 o   34.970   0.6825 0.4774000 1.365000 
1 1 1   45   10    6 o   20.030   1.0030 2.089000 2.007000 
1 1 1   45   10    7 o   36.900   0.6765 0.7085000 1.353000 
1 1 1   45   10    8 o   36.540   0.6861 -1.686000 1.372000 
1 1 1   45   10    9 o   22.110   0.9405 0.5403000 1.881000 
1 1 1   45   10   10 o   22.300   0.8382 -1.018000 1.676000 
1 1 1   45   10   11 o   18.470   1.0200 0.6007000 2.040000 
1 1 1   45   10   12 o   26.130   0.7928 -2.903000 1.586000 
1 1 1   45   10   13 o   8.0030   1.9360 1.546000 3.873000 
1 1 1   45   10   14 o   75.680   0.7908 -1.501000 1.582000 
1 1 1   45   10   15 o   45.220   0.6529 0.7104000 1.306000 
1 1 1   45   10   16 o   33.220   0.7183 -0.4550000 1.437000 
1 1 1   45   10   17 o   7.5180   2.0310 -0.1019000E-01 4.062000 
1 1 1   45   10   18 o   37.990   0.7002 -0.8205000 1.400000 
1 1 1   45   10   19 o   33.480   0.7546 -0.5071000 1.509000 
1 1 1   45   10   20 o   10.800   1.8640 6.622000 3.727000 
1 1 1   45   10   21 o   11.630   1.9830 3.391000 3.966000 
1 1 1   45   10   22 o   8.1340   2.0230 3.781000 4.046000 
1 1 1   45   10   23 o   17.790   1.3910 -0.1528000 2.781000 
1 1 1   45   10   24 o   10.630   2.0310 3.691000 4.062000 
1 1 1   45   10   25 o   15.710   1.5160 -1.433000 3.032000 
1 1 1   45   10   26 o   13.480   1.7450 -4.196000 3.490000 
1 1 1   45   10   27 o   8.2410   2.0520 1.546000 4.105000 
1 1 1   45   10   28 o   7.5580   2.0240 0.5449000 4.049000 
1 1 1   45   10   29 f   7.8490   2.0070 -2.160000 4.013000 
1 1 1   45   11    0 o   45.380   0.9555 -0.000000 0.000000 
1 1 1   45   11    1 o   52.200   0.6957 -1.007000 1.391000 
1 1 1   45   11    2 o   19.540   1.0760 4.572000 2.152000 
1 1 1   45   11    3 o   24.180   0.9024 -3.156000 1.805000 
1 1 1   45   11    4 f   18.010   1.1710 0.4626000 2.342000 
1 1 1   45   11    5 o   32.680   0.7360 -1.205000 1.472000 
1 1 1   45   11    6 o   5.0690   1.6610 1.454000 3.322000 
1 1 1   45   11    7 o   13.460   1.5200 -6.157000 3.039000 
1 1 1   45   11    8 o   28.830   0.7357 -0.6966000 1.471000 
1 1 1   45   11    9 o   30.010   0.9353      ?      ? 
1 1 1   45   11   10 o   27.650   0.7780 2.111000 1.556000 
1 1 1   45   11   11 o   22.620   0.9348 0.7035000 1.870000 
1 1 1   45   11   12 o   21.840   0.9553 -0.1180000 1.911000 
1 1 1   45   11   13 o   32.540   0.7390 0.8555000 1.478000 
1 1 1   45   11   14 f   29.480   0.8035 0.4374000 1.607000 
1 1 1   45   11   15 o   64.070   0.7243 0.6036000 1.449000 
1 1 1   45   11   16 o   50.030   0.6789 3.650000 1.358000 
1 1 1   45   11   17 o   12.130   1.9130 -0.6543000 3.827000 
1 1 1   45   11   18 o   12.970   1.8030 -7.752000 3.607000 
1 1 1   45   11   19 o   24.960   1.0240 0.1133000E-01 2.047000 
1 1 1   45   11   20 o   7.8160   2.1660 -0.2845000 4.332000 
1 1 1   45   11   21 o   6.4730   2.0000 -1.399000 4.000000 
1 1 1   45   11   22 o   15.320   1.7220 3.923000 3.444000 
1 1 1   45   11   23 o   9.8200   2.1160 3.550000 4.232000 
1 1 1   45   11   24 o   9.2980   2.9480      ?      ? 
1 1 1   45   11   25 o   16.050   1.5900 3.491000 3.181000 
1 1 1   45   11   26 o   11.670   2.0020 2.780000 4.005000 
1 1 1   45   11   27 o   5.5420   1.7850 0.4739000 3.569000 
1 1 1   45   11   28 o   11.810   1.8600 3.330000 3.720000 
1 1 1   45   12    0 o   8.7790   2.9070 -0.000000 0.000000 
1 1 1   45   12    1 o   23.360   0.9690 -3.163000 1.938000 
1 1 1   45   12    2 o   28.970   0.8445 -3.679000 1.689000 
1 1 1   45   12    3 o   36.780   0.6801 0.2201000 1.360000 
1 1 1   45   12    4 f   33.600   0.6957 -3.197000 1.391000 
1 1 1   45   12    5 o   6.5320   1.9060 -0.8337000 3.811000 
1 1 1   45   12    6 o   25.300   0.8531 -0.4924000 1.706000 
1 1 1   45   12    7 o   18.010   1.1670 2.998000 2.333000 
1 1 1   45   12    8 o   39.070   0.6781 -2.654000 1.356000 
1 1 1   45   12    9 o   35.590   0.7724 1.266000 1.545000 
1 1 1   45   12   10 o   21.140   1.0540 2.182000 2.109000 
1 1 1   45   12   11 f   13.360   1.6400 0.9061000 3.280000 
1 1 1   45   12   12 o   21.820   1.0680 1.755000 2.137000 
1 1 1   45   12   13 o   14.200   1.7370 6.519000 3.473000 
1 1 1   45   12   14 o   39.760   0.7089 -0.4469000 1.418000 
1 1 1   45   12   15 o   20.030   1.1990 1.359000 2.397000 
1 1 1   45   12   16 o   20.510   1.2130 1.941000 2.426000 
1 1 1   45   12   17 o   15.630   1.5990 -0.8982000 3.197000 
1 1 1   45   12   18 o   23.480   1.1000 2.516000 2.200000 
1 1 1   45   12   19 o   14.380   2.4540      ?      ? 
1 1 1   45   12   20 o   16.900   1.6900 6.171000 3.381000 
1 1 1   45   12   21 o   9.3870   1.9850 6.467000 3.969000 
1 1 1   45   12   22 o   11.390   2.1260 3.016000 4.252000 
1 1 1   45   12   23 o   9.7560   2.2530 -0.1715000 4.506000 
1 1 1   45   12   24 o   17.760   1.4370 -2.372000 2.873000 
1 1 1   45   12   25 o   9.4720   2.1440 2.228000 4.289000 
1 1 1   45   12   26 o   6.1840   1.9100 1.405000 3.820000 
1 1 1   45   12   27 o   9.3510   2.0950 -3.648000 4.189000 
1 1 1   45   13    0 o   47.250   0.8543 -0.000000 0.000000 
1 1 1   45   13    1 f   18.850   1.0690 -0.7001000 2.137000 
1 1 1   45   13    2 o   17.290   1.1740 -3.317000 2.348000 
1 1 1   45   13    3 o   20.700   1.0720 0.1555000 2.143000 
1 1 1   45   13    4 o   14.390   1.5650 -2.196000 3.130000 
1 1 1   45   13    5 o   17.190   1.3120 -4.905000 2.625000 
1 1 1   45   13    6 o   16.520   1.4730 5.379000 2.946000 
1 1 1   45   13    7 o   39.780   0.7056 -1.351000 1.411000 
1 1 1   45   13    8 o   41.980   0.6963 0.1391000 1.393000 
1 1 1   45   13    9 o   33.000   0.7809 1.571000 1.562000 
1 1 1   45   13   10 o   22.430   1.0300 -0.9657000 2.060000 
1 1 1   45   13   11 o   37.060   0.7544 1.422000 1.509000 
1 1 1   45   13   12 o   19.360   1.3170 4.639000 2.634000 
1 1 1   45   13   13 o   17.500   1.4190 -2.943000 2.839000 
1 1 1   45   13   14 o   9.2260   2.0840 4.044000 4.168000 
1 1 1   45   13   15 o   31.680   0.8685 0.1871000 1.737000 
1 1 1   45   13   16 o   16.900   2.0840      ?      ? 
1 1 1   45   13   17 o   28.570   0.9712 -0.1915000 1.942000 
1 1 1   45   13   18 o   16.250   1.7350 3.282000 3.470000 
1 1 1   45   13   19 o   29.940   0.9554 2.014000 1.911000 
1 1 1   45   13   20 o   6.7120   2.0530 1.008000 4.106000 
1 1 1   45   13   21 o   7.1480   2.1210 -1.414000 4.241000 
1 1 1   45   13   22 o   9.3370   2.2010 3.479000 4.402000 
1 1 1   45   13   23 o   7.2600   2.0790 2.035000 4.159000 
1 1 1   45   13   24 o   16.460   1.6160 1.472000 3.232000 
1 1 1   45   13   25 o   11.410   2.0520 1.981000 4.104000 
1 1 1   45   13   26 o   6.4000   1.9680 -0.7794000 3.937000 
1 1 1   45   14    0 o   25.580   1.2170 -0.000000 0.000000 
1 1 1   45   14    1 o   19.050   1.1220 -0.9757000 2.244000 
1 1 1   45   14    2 o   17.640   1.2700 -3.891000 2.540000 
1 1 1   45   14    3 o   5.2960   1.7220 -0.5344000 3.443000 
1 1 1   45   14    4 o   33.760   0.7292 -2.148000 1.458000 
1 1 1   45   14    5 o   14.180   1.5930 2.424000 3.187000 
1 1 1   45   14    6 o   28.350   0.8244 1.761000 1.649000 
1 1 1   45   14    7 o   31.690   0.7751 3.234000 1.550000 
1 1 1   45   14    8 o   36.120   0.7106 2.499000 1.421000 
1 1 1   45   14    9 o   13.800   1.8290 -9.306000 3.659000 
1 1 1   45   14   10 o   16.870   1.5190 -3.123000 3.038000 
1 1 1   45   14   11 o   21.040   1.2480 5.135000 2.497000 
1 1 1   45   14   12 o   8.5580   2.2050 -2.850000 4.410000 
1 1 1   45   14   13 o   20.410   1.3190 -2.014000 2.639000 
1 1 1   45   14   14 o   19.340   1.4350 2.003000 2.869000 
1 1 1   45   14   15 o   8.7360   2.2710 1.205000 4.542000 
1 1 1   45   14   16 o   10.290   2.3040 -2.271000 4.608000 
1 1 1   45   14   17 f   8.5090   2.3030 -1.055000 4.606000 
1 1 1   45   14   18 o   22.180   1.2950 0.8385000 2.591000 
1 1 1   45   14   19 o   10.900   2.2600 -2.940000 4.520000 
1 1 1   45   14   20 o   10.340   2.2740 -1.772000 4.547000 
1 1 1   45   14   21 o   13.390   2.0150 2.113000 4.029000 
1 1 1   45   14   22 o   13.960   1.9630 -5.071000 3.927000 
1 1 1   45   14   23 o   6.9610   2.1020 -1.852000 4.203000 
1 1 1   45   14   24 o   12.140   1.9620 6.602000 3.924000 
1 1 1   45   14   25 o   11.840   2.0910 0.2818000E-01 4.182000 
1 1 1   45   15    0 o   19.330   1.6860 -0.000000 0.000000 
1 1 1   45   15    1 o   8.3710   2.1150 0.7939000 4.231000 
1 1 1   45   15    2 o   22.380   1.0690 -6.565000 2.137000 
1 1 1   45   15    3 o   19.080   1.2390 3.712000 2.478000 
1 1 1   45   15    4 o   10.110   2.0850 2.008000 4.169000 
1 1 1   45   15    5 o   20.550   1.1520 -1.599000 2.303000 
1 1 1   45   15    6 o   10.600   1.9240 6.608000 3.849000 
1 1 1   45   15    7 o   5.6300   1.8170 1.483000 3.634000 
1 1 1   45   15    8 o   8.1440   2.0920 2.520000 4.184000 
1 1 1   45   15    9 o   21.510   1.1290 0.5137000 2.259000 
1 1 1   45   15   10 o   6.9650   2.0290 -2.163000 4.058000 
1 1 1   45   15   11 o   17.040   1.5230 -2.196000 3.047000 
1 1 1   45   15   12 f   5.7020   1.8570 -0.6463000 3.713000 
1 1 1   45   15   13 o   6.5760   2.0340 0.3252000 4.069000 
1 1 1   45   15   14 o   19.400   1.3970 -0.7753000 2.794000 
1 1 1   45   15   15 o   20.150   1.3520 -2.973000 2.704000 
1 1 1   45   15   16 o   23.130   1.1830 -1.604000 2.366000 
1 1 1   45   15   17 o   7.8190   2.0610 -4.727000 4.122000 
1 1 1   45   15   18 o   19.320   1.3750 -1.471000 2.749000 
1 1 1   45   15   19 o   10.710   2.2150 -2.674000 4.430000 
1 1 1   45   15   20 o   13.020   2.1170 4.370000 4.233000 
1 1 1   45   15   21 o   14.020   2.7530      ?      ? 
1 1 1   45   15   22 o   8.9090   2.2230 3.130000 4.445000 
1 1 1   45   15   23 o   8.3150   2.2220 1.206000 4.444000 
1 1 1   45   15   24 f   7.0050   2.0780 1.199000 4.155000 
1 1 1   45   16    0 o   17.930   2.0010 -0.000000 0.000000 
1 1 1   45   16    1 o   21.520   1.1590 0.8506000 2.318000 
1 1 1   45   16    2 f   25.960   0.9705 1.114000 1.941000 
1 1 1   45   16    3 o   24.750   1.0460 2.454000 2.092000 
1 1 1   45   16    4 o   34.790   0.8107 -1.018000 1.621000 
1 1 1   45   16    5 o   8.6400   2.2080 0.2323000 4.416000 
1 1 1   45   16    6 o   6.6310   2.0280 0.6171000 4.055000 
1 1 1   45   16    7 o   9.5480   2.0720 5.603000 4.143000 
1 1 1   45   16    8 o   17.230   1.5760 -2.933000 3.151000 
1 1 1   45   16    9 o   28.170   0.9723 2.032000 1.945000 
1 1 1   45   16   10 o   12.990   2.0000 6.501000 4.001000 
1 1 1   45   16   11 o   7.6620   2.1330 3.059000 4.267000 
1 1 1   45   16   12 o   15.080   1.8310 2.454000 3.662000 
1 1 1   45   16   13 o   22.270   1.2260 -0.2381000 2.451000 
1 1 1   45   16   14 o   8.7670   2.2910 0.5715000 4.582000 
1 1 1   45   16   15 f   8.8890   2.2680 1.615000 4.535000 
1 1 1   45   16   16 o   9.6830   2.2360 3.503000 4.472000 
1 1 1   45   16   17 o   10.630   2.2920 0.3968000 4.584000 
1 1 1   45   16   18 o   11.520   2.1300 -4.780000 4.260000 
1 1 1   45   16   19 o   12.140   2.0740 4.960000 4.148000 
1 1 1   45   16   20 o   8.9250   2.2590 -0.5579000 4.518000 
1 1 1   45   16   21 f   7.5590   2.1410 -1.438000 4.282000 
1 1 1   45   16   22 o   8.1010   2.1730 -1.331000 4.345000 
1 1 1   45   16   23 o   6.6940   2.0220 1.590000 4.045000 
1 1 1   45   17    0 o   18.630   2.0490 -0.000000 0.000000 
1 1 1   45   17    1 o   10.660   2.1980 -3.520000 4.396000 
1 1 1   45   17    2 o   26.960   1.0360 -0.9613000 2.072000 
1 1 1   45   17    3 o   17.720   1.5370 1.704000 3.073000 
1 1 1   45   17    4 o   14.210   1.9790 -0.4818000 3.958000 
1 1 1   45   17    5 o   30.930   0.9357 -1.089000 1.871000 
1 1 1   45   17    6 o   8.8020   2.1490 -4.912000 4.298000 
1 1 1   45   17    7 o   22.620   1.2410 -0.3768000 2.481000 
1 1 1   45   17    8 o   22.600   1.2450 -2.044000 2.490000 
1 1 1   45   17    9 o   20.250   1.4430 -6.054000 2.885000 
1 1 1   45   17   10 o   10.440   2.3050 1.425000 4.609000 
1 1 1   45   17   11 o   17.900   1.5510 0.7375000E-01 3.103000 
1 1 1   45   17   12 o   13.310   2.0230 6.430000 4.046000 
1 1 1   45   17   13 o   8.4010   2.2760 -1.191000 4.551000 
1 1 1   45   17   14 o   13.780   2.0100 -1.095000 4.020000 
1 1 1   45   17   15 o   14.640   1.9060 1.322000 3.813000 
1 1 1   45   17   16 o   11.960   2.1920 0.5167000 4.384000 
1 1 1   45   17   17 o   8.1590   2.1770 3.360000 4.354000 
1 1 1   45   17   18 o   7.2860   2.0680 -3.159000 4.136000 
1 1 1   45   17   19 o   10.410   2.1270 -4.865000 4.253000 
1 1 1   45   17   20 o   8.5740   2.2000 -2.267000 4.400000 
1 1 1   45   17   21 o   7.0280   2.0800 0.8110000 4.161000 
1 1 1   45   18    0 o   13.780   2.9860 -0.000000 0.000000 
1 1 1   45   18    1 o   10.600   2.1850 6.195000 4.369000 
1 1 1   45   18    2 o   8.6920   2.2470 -3.603000 4.494000 
1 1 1   45   18    3 o   13.460   2.1090 2.878000 4.218000 
1 1 1   45   18    4 o   7.5820   2.2140 1.343000 4.428000 
1 1 1   45   18    5 o   9.1920   2.3320 1.910000 4.665000 
1 1 1   45   18    6 o   23.440   1.2420 -4.252000 2.485000 
1 1 1   45   18    7 o   23.710   1.2300 -2.435000 2.460000 
1 1 1   45   18    8 o   15.310   1.9420 6.227000 3.885000 
1 1 1   45   18    9 o   16.220   1.8750 5.997000 3.750000 
1 1 1   45   18   10 o   12.220   2.1380 5.145000 4.276000 
1 1 1   45   18   11 o   13.210   2.0750 -4.148000 4.149000 
1 1 1   45   18   12 o   8.8880   2.3090 1.559000 4.618000 
1 1 1   45   18   13 o   10.930   2.3010 2.686000 4.602000 
1 1 1   45   18   14 o   14.070   1.9940 -1.909000 3.988000 
1 1 1   45   18   15 o   7.4380   2.1500 1.263000 4.300000 
1 1 1   45   18   16 o   7.6320   2.1000 3.547000 4.199000 
1 1 1   45   18   17 o   9.6870   2.0610 -5.679000 4.123000 
1 1 1   45   18   18 o   9.0220   1.8890 -5.427000 3.779000 
1 1 1   45   18   19 o   6.8560   2.0150 1.304000 4.031000 
1 1 1   45   19    0 o   7.8950   3.2370 -0.000000 0.000000 
1 1 1   45   19    1 o   15.740   1.8970 -2.548000 3.794000 
1 1 1   45   19    2 o   8.3000   2.2890 1.861000 4.579000 
1 1 1   45   19    3 o   11.440   2.2610 2.137000 4.523000 
1 1 1   45   19    4 o   8.1260   2.2530 2.112000 4.507000 
1 1 1   45   19    5 o   8.4010   2.2850 -1.728000 4.570000 
1 1 1   45   19    6 o   8.3910   2.2870 -1.046000 4.573000 
1 1 1   45   19    7 o   10.050   2.2770 -2.780000 4.554000 
1 1 1   45   19    8 o   18.670   1.5530 -2.555000 3.106000 
1 1 1   45   19    9 o   11.590   2.3300 -0.9401000E-01 4.659000 
1 1 1   45   19   10 o   8.7190   2.3640 1.448000 4.728000 
1 1 1   45   19   11 o   9.1390   2.3200 -0.4962000 4.640000 
1 1 1   45   19   12 o   11.740   2.0490 -2.898000 4.099000 
1 1 1   45   19   13 o   9.4790   2.2080 1.858000 4.415000 
1 1 1   45   19   14 f   9.7300   2.2130 1.755000 4.426000 
1 1 1   45   19   15 o   9.0160   2.0190 -3.993000 4.038000 
1 1 1   45   19   16 o   6.3730   1.8450 -3.195000 3.691000 
1 1 1   45   19   17 o   5.2230   1.7350 0.4628000 3.470000 
1 1 1   45   20    0 o   6.7620   3.0200 -0.000000 0.000000 
1 1 1   45   20    1 o   11.640   2.3450 1.999000 4.689000 
1 1 1   45   20    2 o   9.1700   2.3650 -1.698000 4.729000 
1 1 1   45   20    3 o   10.430   2.3910 -1.475000 4.782000 
1 1 1   45   20    4 o   13.720   2.1750 1.935000 4.351000 
1 1 1   45   20    5 o   16.770   1.8350 5.470000 3.669000 
1 1 1   45   20    6 o   10.330   2.2030 5.315000 4.406000 
1 1 1   45   20    7 o   8.5290   2.3060 -1.785000 4.611000 
1 1 1   45   20    8 o   8.3440   2.3020 0.1027000 4.604000 
1 1 1   45   20    9 o   8.4390   2.1840 2.799000 4.367000 
1 1 1   45   20   10 o   6.1920   1.9510 1.179000 3.903000 
1 1 1   45   20   11 o   9.7590   2.1030 -3.745000 4.207000 
1 1 1   45   20   12 o   9.2370   2.2270 0.5341000 4.454000 
1 1 1   45   20   13 o   7.9880   2.1510 -0.3469000 4.302000 
1 1 1   45   20   14 o   10.240   1.8760 8.698000 3.752000 
1 1 1   45   20   15 o   9.7730   2.1350 -0.1348000 4.270000 
1 1 1   45   21    0 o   11.540   3.3410 -0.000000 0.000000 
1 1 1   45   21    1 o   9.8760   2.3510 -3.064000 4.702000 
1 1 1   45   21    2 f   7.5480   2.2140 2.259000 4.428000 
1 1 1   45   21    3 o   9.0280   2.3270 2.724000 4.654000 
1 1 1   45   21    4 o   7.0950   2.1450 -2.218000 4.290000 
1 1 1   45   21    5 o   8.1130   2.2770 1.160000 4.553000 
1 1 1   45   21    6 o   14.750   1.9760 1.137000 3.953000 
1 1 1   45   21    7 o   8.8450   2.2100 2.233000 4.420000 
1 1 1   45   21    8 o   6.6150   2.0120 -0.3679000 4.025000 
1 1 1   45   21    9 o   7.3470   2.0130 -2.793000 4.027000 
1 1 1   45   21   10 o   6.1770   1.9330 0.9858000 3.867000 
1 1 1   45   21   11 o   9.8560   1.9650 -4.758000 3.930000 
1 1 1   45   21   12 o   6.8560   1.8970 -3.306000 3.794000 
1 1 1   45   22    0 o   13.010   3.1010 -0.000000 0.000000 
1 1 1   45   22    1 o   9.7680   2.1220 6.651000 4.245000 
1 1 1   45   22    2 o   7.4640   2.0830 -4.892000 4.166000 
1 1 1   45   22    3 o   8.3980   1.9810 -7.279000 3.961000 
1 1 1   45   22    4 o   5.6110   1.8450 0.7103000 3.690000 
1 1 1   45   22    5 o   6.1100   1.9390 1.345000 3.878000 
1 1 1   45   22    6 o   7.8720   2.0650 -2.467000 4.130000 
1 1 1   45   22    7 f   7.9000   2.0320 4.688000 4.064000 
1 1 1   45   22    8 o   14.570   3.6280      ?      ? 
1 1 1   46    0    0 o   59.150   1.3260 -0.000000 0.000000 
1 1 1   46    0    1 o   6.7280   2.1580 -0.000000 0.000000 
1 1 1   46    0    2 o   24.410   0.8132 -0.000000 0.000000 
1 1 1   46    0    3 o   25.060   0.7916 -0.000000 0.000000 
1 1 1   46    0    4 o   18.220   1.0090 -0.000000 0.000000 
1 1 1   46    0    5 o   74.860   1.1460 -0.000000 0.000000 
1 1 1   46    0    6 o   4.8090   2.0400 -0.000000 0.000000 
1 1 1   46    0    7 o   14.380   1.2480 -0.000000 0.000000 
1 1 1   46    0    8 o   48.480   0.8379 -0.000000 0.000000 
1 1 1   46    0    9 f   20.510   0.9979 -0.000000 0.000000 
1 1 1   46    0   10 o   6.6300   2.2860 -0.000000 0.000000 
1 1 1   46    0   11 o   4.0720   1.8850 -0.000000 0.000000 
1 1 1   46    0   12 o   35.080   0.7862 -0.000000 0.000000 
1 1 1   46    0   13 o   6.4840   2.3860 -0.000000 0.000000 
1 1 1   46    0   14 o   42.210   0.8250 -0.000000 0.000000 
1 1 1   46    0   15 o   34.620   0.8117 -0.000000 0.000000 
1 1 1   46    0   16 o   29.490   0.8389 -0.000000 0.000000 
1 1 1   46    0   17 o   14.450   1.4600 -0.000000 0.000000 
1 1 1   46    0   18 o   42.000   0.8328 -0.000000 0.000000 
1 1 1   46    0   19 o   33.560   0.8716 -0.000000 0.000000 
1 1 1   46    0   20 o   24.620   1.0050 -0.000000 0.000000 
1 1 1   46    0   21 o   10.580   2.2280 -0.000000 0.000000 
1 1 1   46    0   22 o   7.9070   2.5470 -0.000000 0.000000 
1 1 1   46    0   23 f   26.590   1.0300 -0.000000 0.000000 
1 1 1   46    0   24 o   28.260   0.9990 -0.000000 0.000000 
1 1 1   46    0   25 o   29.070   0.9949 -0.000000 0.000000 
1 1 1   46    0   26 f   5.9260   2.4940 -0.000000 0.000000 
1 1 1   46    0   27 o   6.3500   2.5750 -0.000000 0.000000 
1 1 1   46    0   28 o   12.120   2.0690 -0.000000 0.000000 
1 1 1   46    0   29 o   5.7600   2.4140 -0.000000 0.000000 
1 1 1   46    0   30 o   10.040   2.2480 -0.000000 0.000000 
1 1 1   46    0   31 o   5.5260   2.2010 -0.000000 0.000000 
1 1 1   46    0   32 o   8.5640   3.6390 -0.000000 0.000000 
1 1 1   46    1    0 o   34.560   0.7143 -0.000000 0.000000 
1 1 1   46    1    1 o   37.230   0.4260 1.191000 0.8520000 
1 1 1   46    1    2 o   11.340   1.0580 -10.37000 2.116000 
1 1 1   46    1    3 o   23.080   0.4789 0.1457000 0.9577000 
1 1 1   46    1    4 o   22.870   0.4818 -0.4973000 0.9636000 
1 1 1   46    1    5 o   79.270   0.6954 0.8174000 1.391000 
1 1 1   46    1    6 o   27.740   0.4308 -0.1295000 0.8616000 
1 1 1   46    1    7 o   39.120   0.4327 -1.044000 0.8653000 
1 1 1   46    1    8 o   26.480   0.4522 -7.501000 0.9045000 
1 1 1   46    1    9 o   26.500   0.4625 -2.056000 0.9250000 
1 1 1   46    1   10 o   26.400   0.4612 -6.611000 0.9225000 
1 1 1   46    1   11 o   42.380   0.4487 2.546000 0.8974000 
1 1 1   46    1   12 o   63.920   0.5824 3.559000 1.165000 
1 1 1   46    1   13 o   62.970   0.5770 -2.144000 1.154000 
1 1 1   46    1   14 o   59.790   0.6240 -2.280000 1.248000 
1 1 1   46    1   15 o   22.930   0.5752 -3.740000 1.150000 
1 1 1   46    1   16 o   48.010   0.5447 0.9873000 1.089000 
1 1 1   46    1   17 o   46.090   0.5425 -0.9835000E-01 1.085000 
1 1 1   46    1   18 o   25.630   0.5665 -3.346000 1.133000 
1 1 1   46    1   19 o   33.260   0.5269 -0.3192000 1.054000 
1 1 1   46    1   20 o   33.080   0.6290 2.469000 1.258000 
1 1 1   46    1   21 o   33.300   0.6285 0.9156000E-01 1.257000 
1 1 1   46    1   22 o   31.690   0.6556 -1.410000 1.311000 
1 1 1   46    1   23 o   15.970   1.1050 0.7298000 2.211000 
1 1 1   46    1   24 o   20.630   0.8878 3.185000 1.776000 
1 1 1   46    1   25 o   8.6860   1.7620 -4.210000 3.524000 
1 1 1   46    1   26 o   15.260   1.2180 -0.4914000 2.436000 
1 1 1   46    1   27 o   10.980   1.7020 0.3915000E-01 3.404000 
1 1 1   46    1   28 o   13.830   1.3960 -6.613000 2.792000 
1 1 1   46    1   29 o   15.320   1.1460 2.270000 2.291000 
1 1 1   46    1   30 o   8.4410   1.7520 -0.9364000 3.504000 
1 1 1   46    1   31 o   5.3900   1.5020 -3.044000 3.004000 
1 1 1   46    1   32 o   6.4010   1.9500 1.042000 3.900000 
1 1 1   46    2    0 o   47.540   0.8039 -0.000000 0.000000 
1 1 1   46    2    1 o   44.250   0.5503 1.660000 1.101000 
1 1 1   46    2    2 f   26.780   0.5350 -0.7544000 1.070000 
1 1 1   46    2    3 f   25.670   0.5455 -3.178000 1.091000 
1 1 1   46    2    4 f   35.120   0.5171 3.456000 1.034000 
1 1 1   46    2    5 o   38.590   0.5248 -2.204000 1.050000 
1 1 1   46    2    6 o   29.320   0.5124 0.4904000 1.025000 
1 1 1   46    2    7 o   31.950   0.5151 -0.2289000 1.030000 
1 1 1   46    2    8 o   60.890   0.6800 1.895000 1.360000 
1 1 1   46    2    9 o   56.620   0.9089      ?      ? 
1 1 1   46    2   10 o   23.460   0.5912 -2.251000 1.182000 
1 1 1   46    2   11 o   15.060   0.8348 0.9458000 1.670000 
1 1 1   46    2   12 o   36.290   0.4840 -2.665000 0.9681000 
1 1 1   46    2   13 o   52.170   0.5647 -1.497000 1.129000 
1 1 1   46    2   14 o   30.720   0.5190 0.5393000 1.038000 
1 1 1   46    2   15 o   53.330   0.5799 -1.847000 1.160000 
1 1 1   46    2   16 o   71.210   0.7136 0.6459000 1.427000 
1 1 1   46    2   17 o   33.940   0.5197 -1.062000 1.039000 
1 1 1   46    2   18 o   22.120   0.6637 4.636000 1.327000 
1 1 1   46    2   19 o   7.2510   1.5190 1.446000 3.037000 
1 1 1   46    2   20 o   31.280   0.5028 -2.648000 1.006000 
1 1 1   46    2   21 f   14.460   1.0480 1.181000 2.095000 
1 1 1   46    2   22 o   17.780   0.8481 0.3989000 1.696000 
1 1 1   46    2   23 o   28.300   0.6262 -0.8013000 1.252000 
1 1 1   46    2   24 o   19.350   0.8570 2.078000 1.714000 
1 1 1   46    2   25 o   15.540   1.0460 1.455000 2.093000 
1 1 1   46    2   26 o   19.610   0.9684 4.050000 1.937000 
1 1 1   46    2   27 o   14.860   1.1650 1.923000 2.330000 
1 1 1   46    2   28 o   16.100   1.2030 -0.5332000 2.407000 
1 1 1   46    2   29 o   7.8280   1.7480 -0.7638000 3.497000 
1 1 1   46    2   30 o   7.7980   1.5840 2.508000 3.167000 
1 1 1   46    2   31 f   14.410   1.0610 2.551000 2.121000 
1 1 1   46    2   32 o   13.250   1.7760 15.05000 3.553000 
1 1 1   46    3    0 o   94.900   1.4220 -0.000000 0.000000 
1 1 1   46    3    1 o   28.400   0.5349 -3.309000 1.070000 
1 1 1   46    3    2 o   18.840   0.6633 -2.123000 1.327000 
1 1 1   46    3    3 o   69.070   0.7544 7.520000 1.509000 
1 1 1   46    3    4 o   11.810   1.0450 1.402000 2.090000 
1 1 1   46    3    5 o   60.560   0.6797 2.099000 1.359000 
1 1 1   46    3    6 o   22.720   0.5921 -4.641000 1.184000 
1 1 1   46    3    7 o   23.410   0.5773 1.822000 1.155000 
1 1 1   46    3    8 o   7.5950   1.4910 -0.2240000 2.983000 
1 1 1   46    3    9 o   69.150   0.7583 -1.291000 1.517000 
1 1 1   46    3   10 o   85.040   0.9112 -1.554000 1.822000 
1 1 1   46    3   11 o   25.560   0.5753 -3.097000 1.151000 
1 1 1   46    3   12 o   16.970   0.7830 0.1061000 1.566000 
1 1 1   46    3   13 o   14.560   0.9137 -4.013000 1.827000 
1 1 1   46    3   14 o   48.630   0.6006 1.086000 1.201000 
1 1 1   46    3   15 o   69.060   0.7653 -2.781000 1.531000 
1 1 1   46    3   16 o   20.110   0.7359 -0.8561000 1.472000 
1 1 1   46    3   17 o   5.1500   1.5250 1.355000 3.050000 
1 1 1   46    3   18 o   12.300   1.2260 -0.4937000 2.452000 
1 1 1   46    3   19 f   42.320   0.5990 -1.861000 1.198000 
1 1 1   46    3   20 o   17.870   0.8532 0.9884000 1.706000 
1 1 1   46    3   21 o   20.810   0.7775 -0.8932000 1.555000 
1 1 1   46    3   22 o   13.260   1.2000 -0.9528000 2.399000 
1 1 1   46    3   23 o   17.550   1.0130 3.553000 2.027000 
1 1 1   46    3   24 o   29.990   0.6542 -0.7322000 1.308000 
1 1 1   46    3   25 o   14.050   1.3290 4.080000 2.657000 
1 1 1   46    3   26 o   16.010   1.0810 -1.430000 2.161000 
1 1 1   46    3   27 o   14.340   1.2260 -0.7099000E-01 2.452000 
1 1 1   46    3   28 o   13.540   1.2680 0.8860000 2.537000 
1 1 1   46    3   29 f   13.310   1.2450 1.420000 2.489000 
1 1 1   46    3   30 o   7.4590   1.5260 2.157000 3.052000 
1 1 1   46    3   31 o   8.8470   1.4040 4.797000 2.809000 
1 1 1   46    3   32 o   10.600   1.3140 1.450000 2.628000 
1 1 1   46    4    0 o   19.690   0.9452 -0.000000 0.000000 
1 1 1   46    4    1 o   38.080   0.5404 -2.021000 1.081000 
1 1 1   46    4    2 o   13.500   0.9964 -3.399000 1.993000 
1 1 1   46    4    3 o   35.630   0.5330 -2.025000 1.066000 
1 1 1   46    4    4 o   44.930   0.5691 11.30000 1.138000 
1 1 1   46    4    5 o   7.6490   1.4590 3.770000 2.918000 
1 1 1   46    4    6 o   45.650   0.5705 -2.859000 1.141000 
1 1 1   46    4    7 o   25.630   0.5630 -1.017000 1.126000 
1 1 1   46    4    8 o   20.940   0.6652 3.315000 1.330000 
1 1 1   46    4    9 o   39.730   0.5548 0.3299000E-01 1.110000 
1 1 1   46    4   10 o   19.050   0.7580 2.852000 1.516000 
1 1 1   46    4   11 o   18.780   0.7243 -1.051000 1.449000 
1 1 1   46    4   12 o   15.860   0.8670 0.7548000 1.734000 
1 1 1   46    4   13 o   9.7350   1.4510 0.1303000 2.901000 
1 1 1   46    4   14 o   34.830   0.5543 -1.013000 1.109000 
1 1 1   46    4   15 o   47.550   0.6010 -1.756000 1.202000 
1 1 1   46    4   16 o   43.430   0.5902 -0.8571000 1.180000 
1 1 1   46    4   17 o   20.080   0.7812 -3.921000 1.562000 
1 1 1   46    4   18 o   36.250   0.5973 0.6315000 1.195000 
1 1 1   46    4   19 o   25.430   0.7143 2.644000 1.429000 
1 1 1   46    4   20 o   19.980   0.8743 -2.458000 1.749000 
1 1 1   46    4   21 o   50.330   0.6599 3.321000 1.320000 
1 1 1   46    4   22 o   29.820   0.7059 -1.064000 1.412000 
1 1 1   46    4   23 o   7.0760   1.7090 3.874000 3.418000 
1 1 1   46    4   24 o   56.270   0.7146 -1.907000 1.429000 
1 1 1   46    4   25 o   34.280   0.6962 2.716000 1.392000 
1 1 1   46    4   26 o   11.780   1.5780 6.806000 3.156000 
1 1 1   46    4   27 o   6.9800   1.6140 3.102000 3.228000 
1 1 1   46    4   28 o   16.040   1.1790 2.578000 2.358000 
1 1 1   46    4   29 o   13.610   1.2350 -1.396000 2.471000 
1 1 1   46    4   30 o   9.2000   1.5350 4.539000 3.070000 
1 1 1   46    4   31 o   8.7810   1.5530 1.442000 3.107000 
1 1 1   46    4   32 o   5.2250   1.6240 -1.546000 3.248000 
1 1 1   46    5    0 o   16.190   1.2160 -0.000000 0.000000 
1 1 1   46    5    1 o   25.590   0.5896 2.286000 1.179000 
1 1 1   46    5    2 o   57.490   0.6610 2.017000 1.322000 
1 1 1   46    5    3 o   46.090   0.5850 1.124000 1.170000 
1 1 1   46    5    4 o   16.730   0.8425 2.842000 1.685000 
1 1 1   46    5    5 o   28.910   0.5613 1.999000 1.123000 
1 1 1   46    5    6 o   32.500   0.5539 4.880000 1.108000 
1 1 1   46    5    7 o   35.940   0.5470 -3.335000 1.094000 
1 1 1   46    5    8 o   26.610   0.5860 0.6966000 1.172000 
1 1 1   46    5    9 o   36.550   0.5575 -6.205000 1.115000 
1 1 1   46    5   10 o   17.230   0.8742 -7.916000 1.748000 
1 1 1   46    5   11 o   39.560   0.5660 -5.880000 1.132000 
1 1 1   46    5   12 o   5.3360   1.5270 -2.059000 3.055000 
1 1 1   46    5   13 o   31.780   0.5878 3.278000 1.176000 
1 1 1   46    5   14 o   51.790   0.6374 1.077000 1.275000 
1 1 1   46    5   15 o   13.060   1.2280 -4.702000 2.456000 
1 1 1   46    5   16 o   12.310   1.3970 -6.067000 2.795000 
1 1 1   46    5   17 o   39.120   0.6172 1.039000 1.234000 
1 1 1   46    5   18 o   38.590   0.6161 -2.180000 1.232000 
1 1 1   46    5   19 o   20.290   0.9047 2.119000 1.809000 
1 1 1   46    5   20 o   20.250   0.9069 -1.880000 1.814000 
1 1 1   46    5   21 o   40.510   0.6494 0.2578000 1.299000 
1 1 1   46    5   22 o   25.620   0.8019 1.345000 1.604000 
1 1 1   46    5   23 o   45.040   0.6727 -0.2519000 1.345000 
1 1 1   46    5   24 o   33.010   0.6801 1.526000 1.360000 
1 1 1   46    5   25 o   30.610   0.7319 1.400000 1.464000 
1 1 1   46    5   26 o   8.1740   1.8840 -4.537000 3.769000 
1 1 1   46    5   27 o   7.8170   1.7920 2.858000 3.585000 
1 1 1   46    5   28 o   24.270   0.8283 0.2249000 1.657000 
1 1 1   46    5   29 o   11.560   1.6420 2.374000 3.284000 
1 1 1   46    5   30 o   11.930   1.5650 -1.370000 3.130000 
1 1 1   46    5   31 o   5.8060   1.6760 -1.802000 3.353000 
1 1 1   46    6    0 o   11.430   1.7630 -0.000000 0.000000 
1 1 1   46    6    1 o   59.400   0.6893 -1.447000 1.379000 
1 1 1   46    6    2 o   34.510   0.5722 -1.563000 1.144000 
1 1 1   46    6    3 o   5.4910   1.5990 0.8534000E-01 3.198000 
1 1 1   46    6    4 o   47.320   0.6101 7.728000 1.220000 
1 1 1   46    6    5 o   84.910   0.9150 1.607000 1.830000 
1 1 1   46    6    6 o   21.610   0.7110 -2.112000 1.422000 
1 1 1   46    6    7 o   12.220   1.2280 -1.215000 2.456000 
1 1 1   46    6    8 o   28.320   0.5974 3.928000 1.195000 
1 1 1   46    6    9 o   6.9670   1.6940 -0.2094000 3.389000 
1 1 1   46    6   10 o   7.2300   1.6100 -3.407000 3.221000 
1 1 1   46    6   11 o   66.980   0.7500 -2.394000 1.500000 
1 1 1   46    6   12 o   49.680   0.6236 0.1800000E-01 1.247000 
1 1 1   46    6   13 o   37.290   0.6013 -2.636000 1.203000 
1 1 1   46    6   14 o   42.390   0.6115 0.9800000 1.223000 
1 1 1   46    6   15 o   50.660   0.6465 0.3520000 1.293000 
1 1 1   46    6   16 o   31.000   0.6637 -0.7080000 1.327000 
1 1 1   46    6   17 o   25.870   0.7548 -0.2977000 1.510000 
1 1 1   46    6   18 o   12.970   1.4660 -1.907000 2.932000 
1 1 1   46    6   19 o   20.590   0.9481 2.269000 1.896000 
1 1 1   46    6   20 o   14.240   1.4080 1.337000 2.817000 
1 1 1   46    6   21 o   25.490   0.8013 3.078000 1.603000 
1 1 1   46    6   22 o   32.650   0.6967 -0.8700000 1.393000 
1 1 1   46    6   23 o   34.380   0.6813 2.252000 1.363000 
1 1 1   46    6   24 o   11.850   1.6260 9.113000 3.252000 
1 1 1   46    6   25 o   11.270   1.6930 6.186000 3.387000 
1 1 1   46    6   26 o   31.820   0.7278 1.191000 1.456000 
1 1 1   46    6   27 o   22.700   0.9375 3.561000 1.875000 
1 1 1   46    6   28 o   11.550   1.6440 -8.453000 3.288000 
1 1 1   46    6   29 o   7.0830   1.9140 -1.312000 3.828000 
1 1 1   46    6   30 o   7.6820   1.8700 0.4953000 3.740000 
1 1 1   46    6   31 o   7.0000   1.8240 -1.524000 3.648000 
1 1 1   46    7    0 o   40.790   0.8359 -0.000000 0.000000 
1 1 1   46    7    1 o   36.220   0.5920 -3.363000 1.184000 
1 1 1   46    7    2 o   33.170   0.5994 -0.2058000 1.199000 
1 1 1   46    7    3 o   41.880   0.5966 -7.130000 1.193000 
1 1 1   46    7    4 o   75.720   0.8328 0.1451000E-01 1.666000 
1 1 1   46    7    5 o   20.210   0.8462 -5.394000 1.692000 
1 1 1   46    7    6 o   50.460   0.6360 -3.808000 1.272000 
1 1 1   46    7    7 o   12.140   1.3350 -4.261000 2.670000 
1 1 1   46    7    8 o   37.010   0.5926 -3.176000 1.185000 
1 1 1   46    7    9 o   59.710   0.7005 -4.914000 1.401000 
1 1 1   46    7   10 o   36.810   0.6074 -1.503000 1.215000 
1 1 1   46    7   11 o   36.870   0.6098 -2.329000 1.220000 
1 1 1   46    7   12 o   58.500   0.6946 -1.355000 1.389000 
1 1 1   46    7   13 o   44.350   0.8828      ?      ? 
1 1 1   46    7   14 o   32.500   0.6754 1.266000 1.351000 
1 1 1   46    7   15 o   54.270   0.6778 -1.169000 1.356000 
1 1 1   46    7   16 o   29.850   0.7058 -2.250000 1.412000 
1 1 1   46    7   17 o   36.260   0.6801 0.5531000 1.360000 
1 1 1   46    7   18 o   13.940   1.5740 -7.334000 3.149000 
1 1 1   46    7   19 o   49.590   0.6308 -0.3886000 1.262000 
1 1 1   46    7   20 o   16.280   1.1950 -1.996000 2.390000 
1 1 1   46    7   21 o   29.010   0.7486 -2.648000 1.497000 
1 1 1   46    7   22 o   36.220   0.6748 -2.964000 1.350000 
1 1 1   46    7   23 o   16.680   1.2960 0.2966000 2.592000 
1 1 1   46    7   24 o   36.430   0.6966 1.984000 1.393000 
1 1 1   46    7   25 o   21.840   0.9763 -2.996000 1.953000 
1 1 1   46    7   26 o   8.4890   2.0070 -0.8564000 4.014000 
1 1 1   46    7   27 o   16.040   1.3710 2.156000 2.741000 
1 1 1   46    7   28 o   14.040   1.4800 -2.766000 2.961000 
1 1 1   46    7   29 o   4.8280   1.6120 -2.126000 3.224000 
1 1 1   46    7   30 o   7.9670   1.7520 3.218000 3.504000 
1 1 1   46    7   31 o   6.1350   2.7790      ?      ? 
1 1 1   46    8    0 f   27.620   0.9470 -0.000000 0.000000 
1 1 1   46    8    1 o   24.500   0.7381 0.8017000 1.476000 
1 1 1   46    8    2 o   52.020   0.6526 0.2310000 1.305000 
1 1 1   46    8    3 o   39.540   0.6104 -4.170000 1.221000 
1 1 1   46    8    4 o   40.450   0.6149 -1.887000 1.230000 
1 1 1   46    8    5 o   50.130   0.6441 1.559000 1.288000 
1 1 1   46    8    6 o   23.840   0.7546 -0.2905000 1.509000 
1 1 1   46    8    7 o   41.100   0.6279 -0.5249000 1.256000 
1 1 1   46    8    8 o   70.460   0.7924 2.012000 1.585000 
1 1 1   46    8    9 o   55.830   0.6827 -1.392000 1.365000 
1 1 1   46    8   10 o   18.550   0.9398 0.9062000 1.880000 
1 1 1   46    8   11 o   78.220   0.8650 -3.633000 1.730000 
1 1 1   46    8   12 o   55.360   0.6926 -1.043000 1.385000 
1 1 1   46    8   13 o   41.310   0.6452 -1.093000 1.290000 
1 1 1   46    8   14 o   47.570   0.6646 -0.3728000 1.329000 
1 1 1   46    8   15 o   25.800   0.8002 0.9329000 1.600000 
1 1 1   46    8   16 o   20.360   1.0310 2.238000 2.062000 
1 1 1   46    8   17 o   31.520   0.6972 0.2450000 1.394000 
1 1 1   46    8   18 o   27.430   0.7614 0.1176000 1.523000 
1 1 1   46    8   19 o   13.940   1.4700 0.2452000 2.941000 
1 1 1   46    8   20 o   15.300   2.5120      ?      ? 
1 1 1   46    8   21 o   27.800   0.8275 -0.7208000E-02 1.655000 
1 1 1   46    8   22 o   18.620   1.2390 3.507000 2.477000 
1 1 1   46    8   23 o   29.030   0.8290 0.6492000 1.658000 
1 1 1   46    8   24 f   19.470   1.1780 0.3289000 2.357000 
1 1 1   46    8   25 o   19.860   1.1430 1.577000 2.285000 
1 1 1   46    8   26 f   12.750   1.7880 5.651000 3.575000 
1 1 1   46    8   27 f   14.310   1.5150 -2.813000 3.029000 
1 1 1   46    8   28 o   9.2250   1.8410 -6.272000 3.682000 
1 1 1   46    8   29 o   20.170   1.0160 -0.8552000 2.032000 
1 1 1   46    8   30 o   7.9490   1.8770 -4.757000 3.753000 
1 1 1   46    9    0 o   18.950   1.3050 -0.000000 0.000000 
1 1 1   46    9    1 o   27.220   0.7132 -0.6826000 1.426000 
1 1 1   46    9    2 o   8.8280   1.7780 -2.816000 3.555000 
1 1 1   46    9    3 o   39.730   0.6461 -1.406000 1.292000 
1 1 1   46    9    4 o   49.080   0.6557 -1.033000 1.311000 
1 1 1   46    9    5 o   22.450   0.8539 -1.826000 1.708000 
1 1 1   46    9    6 o   71.940   0.8120 -3.537000 1.624000 
1 1 1   46    9    7 o   19.190   0.9784 3.446000 1.957000 
1 1 1   46    9    8 o   41.670   0.6468 -3.152000 1.294000 
1 1 1   46    9    9 o   41.630   0.6535 -3.869000 1.307000 
1 1 1   46    9   10 o   46.450   0.6630 -4.983000 1.326000 
1 1 1   46    9   11 o   31.780   0.7145 0.6460000 1.429000 
1 1 1   46    9   12 o   37.530   0.6886 -2.445000 1.377000 
1 1 1   46    9   13 o   21.930   0.9506 0.8762000 1.901000 
1 1 1   46    9   14 o   50.180   0.6320 -1.371000 1.264000 
1 1 1   46    9   15 o   40.470   0.7005 -1.677000 1.401000 
1 1 1   46    9   16 o   37.420   0.6626 0.8015000 1.325000 
1 1 1   46    9   17 o   23.600   0.8921 1.352000 1.784000 
1 1 1   46    9   18 o   25.020   0.8764 1.697000 1.753000 
1 1 1   46    9   19 o   18.020   1.2060 2.574000 2.412000 
1 1 1   46    9   20 o   14.530   1.5950 2.894000 3.190000 
1 1 1   46    9   21 o   10.990   1.9710 -3.276000 3.942000 
1 1 1   46    9   22 o   8.0870   2.0970 -1.891000 4.193000 
1 1 1   46    9   23 o   8.8670   2.1330 -0.8223000 4.267000 
1 1 1   46    9   24 o   8.5420   2.1160 -1.548000 4.231000 
1 1 1   46    9   25 o   9.2750   2.1200 -1.341000 4.240000 
1 1 1   46    9   26 o   14.840   1.6100 1.667000 3.221000 
1 1 1   46    9   27 f   11.850   1.8820 0.1399000E-01 3.763000 
1 1 1   46    9   28 o   25.110   0.9055 -1.403000 1.811000 
1 1 1   46    9   29 o   8.5970   1.7620 4.773000 3.524000 
1 1 1   46   10    0 o   57.970   1.0180 -0.000000 0.000000 
1 1 1   46   10    1 o   51.560   0.6816 -2.036000 1.363000 
1 1 1   46   10    2 o   33.710   0.6939 -2.275000 1.388000 
1 1 1   46   10    3 o   8.0080   1.9300 0.6953000 3.860000 
1 1 1   46   10    4 o   44.440   0.6641 1.393000 1.328000 
1 1 1   46   10    5 o   24.260   0.8436 -0.7899000 1.687000 
1 1 1   46   10    6 f   51.510   0.6894 2.761000 1.379000 
1 1 1   46   10    7 o   64.520   0.7659 -2.808000 1.532000 
1 1 1   46   10    8 o   20.040   1.0200 -2.347000 2.041000 
1 1 1   46   10    9 o   31.020   0.7529 0.1338000E-01 1.506000 
1 1 1   46   10   10 o   17.610   1.1860 -3.996000 2.373000 
1 1 1   46   10   11 o   28.130   0.7307 -0.1420000 1.461000 
1 1 1   46   10   12 o   40.870   0.6403 1.815000 1.281000 
1 1 1   46   10   13 f   55.700   0.6628 -1.174000 1.326000 
1 1 1   46   10   14 o   37.670   0.7994 1.032000 1.599000 
1 1 1   46   10   15 o   41.450   0.6715 -3.513000 1.343000 
1 1 1   46   10   16 o   10.260   1.8190 6.030000 3.638000 
1 1 1   46   10   17 f   27.740   0.8451 -0.5352000 1.690000 
1 1 1   46   10   18 o   7.2170   2.0710 -0.7759000 4.142000 
1 1 1   46   10   19 o   38.970   0.7208 -0.3593000E-01 1.442000 
1 1 1   46   10   20 o   13.350   1.7770 -3.432000 3.553000 
1 1 1   46   10   21 o   29.270   0.8812 -2.440000 1.762000 
1 1 1   46   10   22 o   14.680   1.7070 -0.2633000 3.414000 
1 1 1   46   10   23 o   19.120   1.3070 -0.5163000 2.613000 
1 1 1   46   10   24 o   9.5230   2.1640 0.1416000E-01 4.328000 
1 1 1   46   10   25 f   6.2140   1.9370 -1.883000 3.873000 
1 1 1   46   10   26 o   6.9770   1.9970 0.9052000 3.995000 
1 1 1   46   10   27 o   18.740   1.2060 -5.767000 2.413000 
1 1 1   46   10   28 o   7.2840   1.8960 -5.542000 3.793000 
1 1 1   46   10   29 o   5.4760   1.7540 -0.4310000 3.509000 
1 1 1   46   11    0 o   22.610   1.3600 -0.000000 0.000000 
1 1 1   46   11    1 o   30.640   0.7626 -0.3137000E-01 1.525000 
1 1 1   46   11    2 o   11.080   1.8180 -2.275000 3.635000 
1 1 1   46   11    3 o   23.000   0.9399 -3.538000 1.880000 
1 1 1   46   11    4 o   26.610   0.8438 -0.8294000 1.688000 
1 1 1   46   11    5 o   22.190   0.9885 3.331000 1.977000 
1 1 1   46   11    6 o   5.8570   1.7940 -1.191000 3.587000 
1 1 1   46   11    7 f   24.710   0.8985 -1.836000 1.797000 
1 1 1   46   11    8 o   26.230   0.7955 1.502000 1.591000 
1 1 1   46   11    9 o   21.390   0.9420 0.5820000 1.884000 
1 1 1   46   11   10 o   19.010   1.0620 -1.431000 2.124000 
1 1 1   46   11   11 o   16.410   1.2570 1.287000 2.514000 
1 1 1   46   11   12 o   24.200   0.9044 0.1527000E-01 1.809000 
1 1 1   46   11   13 o   44.910   0.6631 -1.676000 1.326000 
1 1 1   46   11   14 o   32.890   0.7489 3.821000 1.498000 
1 1 1   46   11   15 o   11.790   2.1810 0.5995000E-01 4.362000 
1 1 1   46   11   16 o   21.240   1.1220 3.915000 2.245000 
1 1 1   46   11   17 o   16.280   1.4330 -1.728000 2.865000 
1 1 1   46   11   18 o   8.9040   2.1370 -2.182000 4.274000 
1 1 1   46   11   19 o   28.110   0.9048 -4.833000 1.810000 
1 1 1   46   11   20 o   11.740   2.0370 2.423000 4.074000 
1 1 1   46   11   21 f   13.280   1.8930 -1.425000 3.786000 
1 1 1   46   11   22 f   20.050   1.2620 -3.250000 2.524000 
1 1 1   46   11   23 o   25.440   1.0220 0.1579000 2.044000 
1 1 1   46   11   24 o   6.0340   1.9130 -1.460000 3.826000 
1 1 1   46   11   25 o   11.200   2.0770 -2.964000 4.153000 
1 1 1   46   11   26 f   9.1700   1.9000 5.805000 3.800000 
1 1 1   46   11   27 o   6.9280   2.0000 -2.659000 4.001000 
1 1 1   46   11   28 o  10.0000   1.9630 -5.333000 3.926000 
1 1 1   46   12    0 o   29.660   1.1430 -0.000000 0.000000 
1 1 1   46   12    1 o   40.690   0.7251 2.426000 1.450000 
1 1 1   46   12    2 o   44.660   0.7040 -0.6613000 1.408000 
1 1 1   46   12    3 o   55.190   0.7319 -1.662000 1.464000 
1 1 1   46   12    4 o   26.430   0.8311 1.001000 1.662000 
1 1 1   46   12    5 o   50.790   0.8499      ?      ? 
1 1 1   46   12    6 o   24.070   0.9142 3.716000 1.828000 
1 1 1   46   12    7 o   34.410   0.7135 -2.208000 1.427000 
1 1 1   46   12    8 o   42.290   0.6756 -2.093000 1.351000 
1 1 1   46   12    9 o   7.2880   1.9560 -2.241000 3.911000 
1 1 1   46   12   10 o   32.070   0.7597 -0.4599000 1.519000 
1 1 1   46   12   11 o   27.610   0.8515 -0.7186000 1.703000 
1 1 1   46   12   12 o   13.930   1.7110 4.173000 3.422000 
1 1 1   46   12   13 o   55.980   0.7015 -0.3042000 1.403000 
1 1 1   46   12   14 o   31.610   1.0650      ?      ? 
1 1 1   46   12   15 o   20.430   1.2370 5.420000 2.475000 
1 1 1   46   12   16 o   12.160   2.0130 1.845000 4.026000 
1 1 1   46   12   17 o   10.580   2.1780 -1.346000 4.356000 
1 1 1   46   12   18 o   18.130   1.4440 0.1036000 2.887000 
1 1 1   46   12   19 o   7.8750   2.0750 -4.996000 4.151000 
1 1 1   46   12   20 o   10.620   2.1580 3.766000 4.316000 
1 1 1   46   12   21 o   13.360   1.9830 3.702000 3.967000 
1 1 1   46   12   22 o   10.330   1.8520 8.148000 3.704000 
1 1 1   46   12   23 o   11.930   1.7960 10.29000 3.593000 
1 1 1   46   12   24 o   17.430   1.4620 -0.2088000 2.924000 
1 1 1   46   12   25 o   4.6530   1.5910 0.8282000 3.183000 
1 1 1   46   12   26 o   6.1800   1.9410 -2.008000 3.883000 
1 1 1   46   12   27 o   14.140   1.6960 1.064000 3.392000 
1 1 1   46   13    0 o   15.790   1.7940 -0.000000 0.000000 
1 1 1   46   13    1 o   24.700   0.9271 1.355000 1.854000 
1 1 1   46   13    2 o   24.260   0.9537 1.498000 1.907000 
1 1 1   46   13    3 o   6.7430   1.9280 1.748000 3.857000 
1 1 1   46   13    4 o   20.280   1.0860 -2.596000 2.173000 
1 1 1   46   13    5 o   25.590   0.9190 -1.797000 1.838000 
1 1 1   46   13    6 o   21.470   1.0710 -2.470000 2.142000 
1 1 1   46   13    7 f   40.680   0.7036 -0.4621000 1.407000 
1 1 1   46   13    8 o   8.3010   2.1080 -0.2985000E-02 4.215000 
1 1 1   46   13    9 o   50.220   0.6978 1.892000 1.396000 
1 1 1   46   13   10 o   24.090   0.9988 -0.9604000 1.998000 
1 1 1   46   13   11 o   21.000   1.1800 4.067000 2.360000 
1 1 1   46   13   12 o   46.630   0.7140 0.7961000E-01 1.428000 
1 1 1   46   13   13 o   7.8910   2.1800 -0.2483000 4.360000 
1 1 1   46   13   14 o   8.3950   1.9420 -6.332000 3.884000 
1 1 1   46   13   15 o   33.610   0.8449 1.863000 1.690000 
1 1 1   46   13   16 o   23.770   1.1310 -0.1472000 2.262000 
1 1 1   46   13   17 o   10.040   2.0830 5.876000 4.166000 
1 1 1   46   13   18 o   22.610   1.2230 -0.6609000E-01 2.446000 
1 1 1   46   13   19 o   9.4560   2.2970 1.040000 4.594000 
1 1 1   46   13   20 o   10.260   2.0640 5.778000 4.129000 
1 1 1   46   13   21 o   7.1390   2.1040 1.037000 4.208000 
1 1 1   46   13   22 o   23.110   1.1800 -1.541000 2.359000 
1 1 1   46   13   23 o   7.0480   2.0910 1.153000 4.181000 
1 1 1   46   13   24 o   10.250   2.2090 1.316000 4.418000 
1 1 1   46   13   25 o   7.9030   2.1200 1.186000 4.240000 
1 1 1   46   13   26 f   9.7960   2.0550 -5.347000 4.110000 
1 1 1   46   14    0 o   11.890   2.5120 -0.000000 0.000000 
1 1 1   46   14    1 o   18.550   1.1940 -2.247000 2.389000 
1 1 1   46   14    2 o   13.700   1.6150 0.4724000 3.230000 
1 1 1   46   14    3 o   21.000   1.0800 5.578000 2.159000 
1 1 1   46   14    4 o   11.580   1.8220 6.526000 3.645000 
1 1 1   46   14    5 o   6.2910   1.9090 -0.2897000 3.819000 
1 1 1   46   14    6 o   21.640   1.0310 -0.3227000 2.062000 
1 1 1   46   14    7 o   9.8110   2.0870 -4.683000 4.175000 
1 1 1   46   14    8 o   30.420   0.8723 0.3665000 1.745000 
1 1 1   46   14    9 o   15.810   1.6420 2.566000 3.284000 
1 1 1   46   14   10 o   23.770   1.0850 -3.074000 2.171000 
1 1 1   46   14   11 o   39.920   1.0040      ?      ? 
1 1 1   46   14   12 o   19.580   1.4160 4.595000 2.833000 
1 1 1   46   14   13 o   7.6880   2.1930 0.4445000 4.386000 
1 1 1   46   14   14 o   16.960   1.7090 5.020000 3.418000 
1 1 1   46   14   15 o   8.7960   2.0610 -6.232000 4.123000 
1 1 1   46   14   16 o   21.400   1.3650 2.869000 2.729000 
1 1 1   46   14   17 f   7.6720   2.1040 4.162000 4.208000 
1 1 1   46   14   18 f   15.970   1.8060 0.1714000 3.612000 
1 1 1   46   14   19 o   18.630   1.4720 -1.202000 2.945000 
1 1 1   46   14   20 o   11.020   1.9500 8.037000 3.901000 
1 1 1   46   14   21 o   15.460   1.7640 -1.300000 3.528000 
1 1 1   46   14   22 o   7.5410   2.1890 -0.2417000 4.377000 
1 1 1   46   14   23 o   5.5930   1.8520 -0.3104000 3.704000 
1 1 1   46   14   24 o   8.2830   2.1620 2.343000 4.323000 
1 1 1   46   14   25 o   10.110   2.0800 3.682000 4.160000 
1 1 1   46   15    0 o   38.000   1.0070 -0.000000 0.000000 
1 1 1   46   15    1 o   30.450   0.8273 -2.275000 1.655000 
1 1 1   46   15    2 o   17.800   1.3000 -0.9629000 2.599000 
1 1 1   46   15    3 o   27.670   0.8860 0.6196000 1.772000 
1 1 1   46   15    4 o   29.060   0.8618 0.1619000 1.724000 
1 1 1   46   15    5 o   9.9180   2.1510 0.2674000 4.301000 
1 1 1   46   15    6 o   12.310   1.9060 -5.676000 3.812000 
1 1 1   46   15    7 o   18.220   1.3920 6.173000 2.784000 
1 1 1   46   15    8 o   11.070   1.8680 -7.901000 3.735000 
1 1 1   46   15    9 o   6.5980   1.9810 -1.701000 3.962000 
1 1 1   46   15   10 o   17.420   1.4600 0.5162000E-01 2.919000 
1 1 1   46   15   11 o   13.090   1.9450 -4.964000 3.889000 
1 1 1   46   15   12 o   12.910   2.0150 3.342000 4.031000 
1 1 1   46   15   13 o   21.380   1.2840 5.810000 2.568000 
1 1 1   46   15   14 o   13.780   1.9690 -0.8981000 3.938000 
1 1 1   46   15   15 o   16.310   1.6780 -0.7207000 3.356000 
1 1 1   46   15   16 o   25.160   1.1880 -2.086000 2.375000 
1 1 1   46   15   17 o   9.9500   2.1640 5.509000 4.328000 
1 1 1   46   15   18 o   11.810   2.2820 -2.498000 4.564000 
1 1 1   46   15   19 o   17.070   1.7340 -4.740000 3.469000 
1 1 1   46   15   20 f   9.4230   2.2050 -5.599000 4.410000 
1 1 1   46   15   21 o   9.4950   2.3340 -2.050000 4.669000 
1 1 1   46   15   22 o   8.0740   2.1990 2.596000 4.398000 
1 1 1   46   15   23 o   7.1890   2.1290 0.4299000 4.259000 
1 1 1   46   15   24 o   7.3420   2.1520 -1.073000 4.303000 
1 1 1   46   16    0 o   24.860   1.4710 -0.000000 0.000000 
1 1 1   46   16    1 o   23.660   1.1100 -6.557000 2.220000 
1 1 1   46   16    2 f   12.160   2.0320 4.045000 4.063000 
1 1 1   46   16    3 o   10.150   1.9910 6.682000 3.982000 
1 1 1   46   16    4 o   14.620   1.8140 -4.921000 3.629000 
1 1 1   46   16    5 o   19.540   1.3640 -5.211000 2.728000 
1 1 1   46   16    6 o   10.460   2.1530 3.851000 4.306000 
1 1 1   46   16    7 o   11.190   2.0640 -5.442000 4.128000 
1 1 1   46   16    8 o   9.3740   2.1450 -4.003000 4.289000 
1 1 1   46   16    9 o   13.900   2.0680 -5.933000 4.136000 
1 1 1   46   16   10 o   23.210   1.1900 -3.264000 2.379000 
1 1 1   46   16   11 o   6.7460   2.0730 0.8983000 4.145000 
1 1 1   46   16   12 o   19.430   1.3880 2.794000 2.775000 
1 1 1   46   16   13 o   18.050   1.5480 1.026000 3.097000 
1 1 1   46   16   14 o   19.320   1.4220 -0.4706000 2.844000 
1 1 1   46   16   15 o   5.1880   1.7600 0.4171000 3.520000 
1 1 1   46   16   16 o   18.980   1.4560 3.299000 2.912000 
1 1 1   46   16   17 o   10.500   2.2280 3.829000 4.456000 
1 1 1   46   16   18 o   10.730   2.2590 -0.9631000 4.517000 
1 1 1   46   16   19 o   10.880   2.2190 1.632000 4.438000 
1 1 1   46   16   20 o   7.0460   2.1040 0.6063000 4.209000 
1 1 1   46   16   21 o   13.780   1.9240 -0.3862000E-03 3.847000 
1 1 1   46   16   22 o   8.5110   2.1990 0.7640000 4.397000 
1 1 1   46   16   23 o   11.050   2.8980 -1.022000 5.796000 
1 1 1   46   17    0 o   33.460   1.2220 -0.000000 0.000000 
1 1 1   46   17    1 o   22.840   1.2040 0.7019000 2.408000 
1 1 1   46   17    2 o   28.460   0.9870 -0.6731000 1.974000 
1 1 1   46   17    3 o   8.3920   2.2210 2.658000 4.442000 
1 1 1   46   17    4 o   17.930   1.5600 2.146000 3.121000 
1 1 1   46   17    5 o   19.470   1.4720 4.492000 2.944000 
1 1 1   46   17    6 f   10.880   2.3000 -0.1367000 4.599000 
1 1 1   46   17    7 o   12.860   2.1130 4.646000 4.226000 
1 1 1   46   17    8 o   11.320   2.2800 -1.023000 4.560000 
1 1 1   46   17    9 o   11.360   2.2620 -1.817000 4.524000 
1 1 1   46   17   10 o   7.6990   2.2270 -0.1387000 4.454000 
1 1 1   46   17   11 o   19.890   1.4200 0.3028000 2.840000 
1 1 1   46   17   12 f   10.030   2.3070 -0.7485000 4.613000 
1 1 1   46   17   13 o   11.690   2.2460 1.034000 4.492000 
1 1 1   46   17   14 o   8.1280   2.1700 -3.373000 4.341000 
1 1 1   46   17   15 o   9.9430   2.1450 5.622000 4.290000 
1 1 1   46   17   16 o   7.8440   2.1310 -3.138000 4.262000 
1 1 1   46   17   17 o   8.2730   2.2150 1.557000 4.431000 
1 1 1   46   17   18 o   12.930   2.0210 1.474000 4.041000 
1 1 1   46   17   19 o   14.070   1.9050 2.063000 3.810000 
1 1 1   46   17   20 o   7.0890   2.0970 0.9128000 4.194000 
1 1 1   46   17   21 o   14.610   1.7540 -2.720000 3.509000 
1 1 1   46   18    0 o   6.3070   2.8670 -0.000000 0.000000 
1 1 1   46   18    1 o   25.440   1.1460 -1.220000 2.292000 
1 1 1   46   18    2 o   6.1340   1.9880 0.3743000 3.977000 
1 1 1   46   18    3 o   10.680   2.1540 -5.583000 4.308000 
1 1 1   46   18    4 o   7.8740   2.2540 0.5573000E-01 4.509000 
1 1 1   46   18    5 o   12.580   2.1620 -3.733000 4.323000 
1 1 1   46   18    6 o   10.920   2.1650 -5.738000 4.331000 
1 1 1   46   18    7 o   24.020   1.2140 1.446000 2.428000 
1 1 1   46   18    8 o   15.330   1.8950 3.540000 3.789000 
1 1 1   46   18    9 o   16.320   1.7780 3.062000 3.555000 
1 1 1   46   18   10 o   10.130   2.3150 -0.4912000 4.630000 
1 1 1   46   18   11 o   11.950   1.9610 -8.971000 3.923000 
1 1 1   46   18   12 o   14.020   2.0160 3.861000 4.032000 
1 1 1   46   18   13 o   6.5960   2.0270 3.362000 4.055000 
1 1 1   46   18   14 o   8.4850   2.2640 1.150000 4.528000 
1 1 1   46   18   15 o   7.0920   2.1130 0.4288000 4.225000 
1 1 1   46   18   16 o   8.1050   2.1400 3.715000 4.279000 
1 1 1   46   18   17 o   12.700   2.0180 3.379000 4.036000 
1 1 1   46   18   18 o   9.4350   2.2010 -2.181000 4.403000 
1 1 1   46   18   19 o   7.6480   2.1290 -1.852000 4.259000 
1 1 1   46   19    0 o   8.9410   3.3390 -0.000000 0.000000 
1 1 1   46   19    1 o   10.830   2.1700 6.483000 4.340000 
1 1 1   46   19    2 o   16.270   1.9370 2.943000 3.874000 
1 1 1   46   19    3 o   10.200   1.9770 -8.187000 3.954000 
1 1 1   46   19    4 o   8.3380   2.2930 0.8568000 4.587000 
1 1 1   46   19    5 o   14.580   1.9780 -0.1879000 3.956000 
1 1 1   46   19    6 o   8.9960   2.3100 2.007000 4.620000 
1 1 1   46   19    7 o   9.3410   2.2940 2.687000 4.588000 
1 1 1   46   19    8 o   9.2290   2.3030 -2.923000 4.605000 
1 1 1   46   19    9 o   6.2040   2.0100 -0.3917000 4.020000 
1 1 1   46   19   10 o   10.550   2.3620 -5.790000 4.725000 
1 1 1   46   19   11 o   11.550   2.2590 1.556000 4.518000 
1 1 1   46   19   12 o   8.1480   2.2150 -2.612000 4.429000 
1 1 1   46   19   13 o   7.4310   2.1850 -0.1200000 4.370000 
1 1 1   46   19   14 o   7.4680   1.9930 5.790000 3.987000 
1 1 1   46   19   15 o   7.0220   2.0910 -0.7593000 4.182000 
1 1 1   46   19   16 o   10.410   1.8580 -6.351000 3.717000 
1 1 1   46   19   17 o   6.7860   2.0020 0.9363000 4.005000 
1 1 1   46   20    0 o   16.120   2.7350 -0.000000 0.000000 
1 1 1   46   20    1 o   9.9460   2.4040 0.2263000 4.808000 
1 1 1   46   20    2 o   15.540   1.9370 -3.303000 3.875000 
1 1 1   46   20    3 o   6.3690   2.0490 0.2764000 4.098000 
1 1 1   46   20    4 o   14.750   2.0550 1.327000 4.110000 
1 1 1   46   20    5 o   6.7120   2.1040 1.462000 4.208000 
1 1 1   46   20    6 o   8.3160   2.3050 -0.2028000 4.610000 
1 1 1   46   20    7 o   7.4070   2.1930 1.134000 4.386000 
1 1 1   46   20    8 o   5.1710   1.7680 0.2965000 3.537000 
1 1 1   46   20    9 o   6.8990   2.0240 -4.110000 4.047000 
1 1 1   46   20   10 o   12.480   2.1190 -4.102000 4.239000 
1 1 1   46   20   11 o   9.6370   2.2960 2.697000 4.591000 
1 1 1   46   20   12 o   11.380   2.0560 -2.729000 4.112000 
1 1 1   46   20   13 o   8.1950   1.9520 -4.539000 3.904000 
1 1 1   46   20   14 f   7.4190   2.0710 -0.7014000 4.142000 
1 1 1   46   20   15 o   7.2630   2.0260 -3.869000 4.053000 
1 1 1   46   21    0 o   13.730   3.0300 -0.000000 0.000000 
1 1 1   46   21    1 f   13.580   2.1640 -4.290000 4.328000 
1 1 1   46   21    2 o   8.9700   2.3680 0.6260000 4.737000 
1 1 1   46   21    3 o   13.030   2.3210 5.930000 4.643000 
1 1 1   46   21    4 o   9.6460   2.3870 -0.7081000 4.774000 
1 1 1   46   21    5 o   9.3360   2.3240 -2.223000 4.649000 
1 1 1   46   21    6 o   9.8200   2.0830 6.940000 4.166000 
1 1 1   46   21    7 o   9.9210   2.3560 -0.9116000 4.712000 
1 1 1   46   21    8 o   11.190   2.2190 3.308000 4.438000 
1 1 1   46   21    9 o   8.6710   2.1830 1.084000 4.365000 
1 1 1   46   21   10 o   11.300   2.0410 -1.623000 4.083000 
1 1 1   46   21   11 o   8.9770   2.1580 2.462000 4.316000 
1 1 1   46   22    0 o   9.0170   3.3070 -0.000000 0.000000 
1 1 1   46   22    1 o   13.080   2.1640 -0.9131000 4.327000 
1 1 1   46   22    2 o   10.790   2.3640 0.8351000 4.729000 
1 1 1   46   22    3 o   8.9470   2.3200 1.306000 4.641000 
1 1 1   46   22    4 o   8.8620   2.1790 -4.625000 4.357000 
1 1 1   46   22    5 o   7.8290   2.1250 -3.826000 4.251000 
1 1 1   46   22    6 o   11.080   1.9300 -5.891000 3.861000 
1 1 1   46   22    7 o   6.5890   2.0160 0.6952000 4.031000 
1 1 1   47    0    1 o   21.600   0.8895 -0.000000 0.000000 
1 1 1   47    0    2 o   55.870   0.9099 -0.000000 0.000000 
1 1 1   47    0    3 o   4.3880   1.9700 -0.000000 0.000000 
1 1 1   47    0    4 f   13.530   1.3440 -0.000000 0.000000 
1 1 1   47    0    5 o   17.410   1.0580 -0.000000 0.000000 
1 1 1   47    0    6 o   7.8930   2.2120 -0.000000 0.000000 
1 1 1   47    0    7 o   14.340   1.2880 -0.000000 0.000000 
1 1 1   47    0    8 o   17.260   1.1720 -0.000000 0.000000 
1 1 1   47    0    9 o   22.980   0.9513 -0.000000 0.000000 
1 1 1   47    0   10 o   20.030   1.0220 -0.000000 0.000000 
1 1 1   47    0   11 o   5.2610   2.1770 -0.000000 0.000000 
1 1 1   47    0   12 o   7.1690   2.3130 -0.000000 0.000000 
1 1 1   47    0   13 o   76.000   1.1750 -0.000000 0.000000 
1 1 1   47    0   14 o   55.110   0.9256 -0.000000 0.000000 
1 1 1   47    0   15 o   39.900   0.8218 -0.000000 0.000000 
1 1 1   47    0   16 o   6.6590   2.4180 -0.000000 0.000000 
1 1 1   47    0   17 o   7.8090   2.3790 -0.000000 0.000000 
1 1 1   47    0   18 o   21.570   1.0500 -0.000000 0.000000 
1 1 1   47    0   19 o   21.630   1.0700 -0.000000 0.000000 
1 1 1   47    0   20 o   40.740   0.8604 -0.000000 0.000000 
1 1 1   47    0   21 o   25.930   1.0150 -0.000000 0.000000 
1 1 1   47    0   22 o   4.8520   2.2080 -0.000000 0.000000 
1 1 1   47    0   23 o   25.570   1.0770 -0.000000 0.000000 
1 1 1   47    0   24 o   16.650   1.4930 -0.000000 0.000000 
1 1 1   47    0   25 o   20.550   1.2720 -0.000000 0.000000 
1 1 1   47    0   26 o   7.6460   2.6790 -0.000000 0.000000 
1 1 1   47    0   27 o   5.6600   2.4500 -0.000000 0.000000 
1 1 1   47    0   28 o   5.6370   2.4220 -0.000000 0.000000 
1 1 1   47    0   29 o   24.080   1.0940 -0.000000 0.000000 
1 1 1   47    0   30 o   17.320   1.3260 -0.000000 0.000000 
1 1 1   47    0   31 o   5.7370   2.2670 -0.000000 0.000000 
1 1 1   47    0   32 o   8.8880   1.8550 -0.000000 0.000000 
1 1 1   47    1    0 o   62.900   0.8058 -0.000000 0.000000 
1 1 1   47    1    1 o   22.820   0.4821 -0.4292000 0.9643000 
1 1 1   47    1    2 o   11.490   1.0040 7.577000 2.009000 
1 1 1   47    1    3 o   74.650   0.6607 4.204000 1.321000 
1 1 1   47    1    4 o   42.000   0.4455 3.866000 0.8910000 
1 1 1   47    1    5 o   34.900   0.4309 3.707000 0.8618000 
1 1 1   47    1    6 o   34.950   0.4274 -5.359000 0.8549000 
1 1 1   47    1    7 o   35.300   0.4335 -3.652000 0.8670000 
1 1 1   47    1    8 o   17.760   0.5941 -0.6831000 1.188000 
1 1 1   47    1    9 o   10.520   1.0760 -4.301000 2.152000 
1 1 1   47    1   10 o   18.070   0.6192 -6.598000 1.238000 
1 1 1   47    1   11 o   36.500   0.4398 -2.795000 0.8796000 
1 1 1   47    1   12 o   26.330   0.4787 -2.369000 0.9573000 
1 1 1   47    1   13 o   42.130   0.5140 0.2914000 1.028000 
1 1 1   47    1   14 o   57.010   0.6036 1.566000 1.207000 
1 1 1   47    1   15 o   16.100   0.8128 0.6960000 1.626000 
1 1 1   47    1   16 o   6.5160   1.4280 3.086000 2.856000 
1 1 1   47    1   17 o   38.890   0.5246 -2.898000 1.049000 
1 1 1   47    1   18 o   43.600   0.5364 -0.3187000 1.073000 
1 1 1   47    1   19 o   40.910   0.5350 -1.243000 1.070000 
1 1 1   47    1   20 o   21.470   0.8262 -3.991000 1.652000 
1 1 1   47    1   21 o   13.020   1.3190 -1.819000 2.638000 
1 1 1   47    1   22 o   36.490   0.6387 -1.758000 1.277000 
1 1 1   47    1   23 o   20.090   1.2720      ?      ? 
1 1 1   47    1   24 o   16.060   1.6060      ?      ? 
1 1 1   47    1   25 o   7.2010   1.7970 -3.314000 3.594000 
1 1 1   47    1   26 f   21.800   0.9080 -2.770000 1.816000 
1 1 1   47    1   27 o   8.5010   1.7470 4.953000 3.494000 
1 1 1   47    1   28 o   16.270   1.1370 1.816000 2.274000 
1 1 1   47    1   29 f   27.450   0.7172 -2.610000 1.434000 
1 1 1   47    1   30 o   22.500   0.7764 1.402000 1.553000 
1 1 1   47    1   31 o   7.6440   1.5380 -0.6592000 3.077000 
1 1 1   47    1   32 o   8.5990   1.2750 0.7144000 2.551000 
1 1 1   47    2    0 o   18.310   0.9694 -0.000000 0.000000 
1 1 1   47    2    1 o   12.200   0.9902 -0.2188000 1.980000 
1 1 1   47    2    2 o   39.500   0.5357 3.979000 1.071000 
1 1 1   47    2    3 f   19.160   0.6678 0.1341000 1.336000 
1 1 1   47    2    4 o   60.980   0.6820 1.160000 1.364000 
1 1 1   47    2    5 o   29.300   0.5330 -2.064000 1.066000 
1 1 1   47    2    6 o   46.360   0.5661 0.9739000E-01 1.132000 
1 1 1   47    2    7 o   46.320   0.5701 1.454000 1.140000 
1 1 1   47    2    8 o   10.400   1.2620 5.528000 2.524000 
1 1 1   47    2    9 o   33.500   0.5414 4.718000 1.083000 
1 1 1   47    2   10 o   41.570   0.5480 2.502000 1.096000 
1 1 1   47    2   11 o   31.350   0.4966 -2.239000 0.9933000 
1 1 1   47    2   12 o   9.4490   1.2590 -5.700000 2.517000 
1 1 1   47    2   13 o   55.580   0.5878 0.6605000 1.176000 
1 1 1   47    2   14 o   26.890   0.5429 0.3809000 1.086000 
1 1 1   47    2   15 o   33.410   0.5152 0.3850000 1.030000 
1 1 1   47    2   16 f   20.170   0.6695 -0.2105000 1.339000 
1 1 1   47    2   17 o   45.410   0.5414 -3.033000 1.083000 
1 1 1   47    2   18 o   61.830   0.5789 1.212000 1.158000 
1 1 1   47    2   19 o   12.010   1.0930 -5.173000 2.186000 
1 1 1   47    2   20 o   25.290   0.5813 0.4760000 1.163000 
1 1 1   47    2   21 o   31.280   0.5790 -4.826000 1.158000 
1 1 1   47    2   22 o   8.9730   1.6100 0.9720000 3.220000 
1 1 1   47    2   23 o   13.210   1.2020 -0.8059000 2.404000 
1 1 1   47    2   24 o   20.750   0.8368 2.916000 1.674000 
1 1 1   47    2   25 o   22.410   0.7596 0.3529000 1.519000 
1 1 1   47    2   26 o   20.690   0.8343 -1.574000 1.669000 
1 1 1   47    2   27 o   12.920   1.2890 -1.512000 2.578000 
1 1 1   47    2   28 o   15.770   1.2490 2.842000 2.498000 
1 1 1   47    2   29 o   17.320   1.0440 1.090000 2.089000 
1 1 1   47    2   30 o   29.290   0.6059 -2.804000 1.212000 
1 1 1   47    2   31 o   10.600   1.3760 -0.5739000 2.752000 
1 1 1   47    2   32 o   4.2360   1.3530 -2.093000 2.707000 
1 1 1   47    3    0 o   29.480   0.7604 -0.000000 0.000000 
1 1 1   47    3    1 o   23.460   0.5902 -0.4698000 1.180000 
1 1 1   47    3    2 o   67.930   0.7450 4.310000 1.490000 
1 1 1   47    3    3 o   67.620   0.7441 -7.745000 1.488000 
1 1 1   47    3    4 o   28.060   0.5447 4.185000 1.089000 
1 1 1   47    3    5 o   49.780   0.5910 1.186000 1.182000 
1 1 1   47    3    6 o   10.010   1.1790 -9.734000 2.358000 
1 1 1   47    3    7 o   9.0810   1.3000 6.793000 2.599000 
1 1 1   47    3    8 o   34.300   0.5244 0.7577000 1.049000 
1 1 1   47    3    9 o   20.760   0.6674 -1.673000 1.335000 
1 1 1   47    3   10 o   12.220   1.1200 -2.088000 2.239000 
1 1 1   47    3   11 o   12.110   1.0930 -1.334000 2.187000 
1 1 1   47    3   12 o   27.090   0.5802 -2.402000 1.160000 
1 1 1   47    3   13 o   7.1750   1.6090 -0.8878000 3.218000 
1 1 1   47    3   14 o   49.640   0.6099 0.8153000 1.220000 
1 1 1   47    3   15 o   71.110   0.7867 -1.011000 1.573000 
1 1 1   47    3   16 o   18.130   0.8325 3.520000 1.665000 
1 1 1   47    3   17 o   17.540   0.8500 -2.036000 1.700000 
1 1 1   47    3   18 o   37.360   0.5843 -0.7385000 1.169000 
1 1 1   47    3   19 o   31.540   0.6197 -0.2654000 1.239000 
1 1 1   47    3   20 o   17.070   0.9599 3.833000 1.920000 
1 1 1   47    3   21 o   26.300   0.7289 2.977000 1.458000 
1 1 1   47    3   22 o   11.730   1.4200 -0.5403000E-01 2.840000 
1 1 1   47    3   23 o   20.910   0.8348 1.695000 1.670000 
1 1 1   47    3   24 o   37.760   0.6045 0.7444000 1.209000 
1 1 1   47    3   25 o   14.020   1.3010 1.262000 2.602000 
1 1 1   47    3   26 o   24.040   0.6988 -3.927000 1.398000 
1 1 1   47    3   27 o   10.730   1.6320 -0.1893000 3.264000 
1 1 1   47    3   28 o   19.170   0.8687 -1.709000 1.737000 
1 1 1   47    3   29 o   9.3190   1.5090 4.798000 3.018000 
1 1 1   47    3   30 o   15.080   1.0860 3.316000 2.172000 
1 1 1   47    3   31 o   5.8700   1.5930 -1.297000 3.186000 
1 1 1   47    3   32 o   10.980   1.1920 -2.002000 2.384000 
1 1 1   47    4    0 o   5.1830   2.1640 -0.000000 0.000000 
1 1 1   47    4    1 o   7.4370   1.5810 -1.994000 3.161000 
1 1 1   47    4    2 o   9.9620   1.2940 -7.809000 2.589000 
1 1 1   47    4    3 o   21.520   0.6483 2.967000 1.297000 
1 1 1   47    4    4 o   34.080   0.5304 -0.8787000E-01 1.061000 
1 1 1   47    4    5 o   34.520   0.5358 1.888000 1.072000 
1 1 1   47    4    6 o   7.0290   1.4620 3.452000 2.923000 
1 1 1   47    4    7 o   58.380   0.6643 -3.246000 1.329000 
1 1 1   47    4    8 f   9.6550   1.3480 -0.4706000 2.696000 
1 1 1   47    4    9 o   50.910   0.6140 1.554000 1.228000 
1 1 1   47    4   10 o   33.690   0.5556 2.038000 1.111000 
1 1 1   47    4   11 o   17.300   0.7950 -1.578000 1.590000 
1 1 1   47    4   12 o   34.700   0.5642 4.215000 1.128000 
1 1 1   47    4   13 o   38.490   0.5676 -1.893000 1.135000 
1 1 1   47    4   14 o   36.180   0.5697 1.687000 1.139000 
1 1 1   47    4   15 o   7.7690   1.6680 1.486000 3.336000 
1 1 1   47    4   16 o   11.080   1.4040 1.232000 2.808000 
1 1 1   47    4   17 o   37.930   0.5957 2.252000 1.191000 
1 1 1   47    4   18 o   31.420   0.9231      ?      ? 
1 1 1   47    4   19 o   54.980   0.6766 1.949000 1.353000 
1 1 1   47    4   20 o   24.090   0.7656 0.7355000 1.531000 
1 1 1   47    4   21 o   50.880   0.6686 2.537000 1.337000 
1 1 1   47    4   22 o   32.920   0.6766 -1.129000 1.353000 
1 1 1   47    4   23 o   32.130   0.7165 1.253000 1.433000 
1 1 1   47    4   24 o   11.540   1.7270 -0.2129000 3.453000 
1 1 1   47    4   25 o   23.140   0.9064 1.234000 1.813000 
1 1 1   47    4   26 o   16.530   1.0640 -1.769000 2.128000 
1 1 1   47    4   27 o   11.380   1.5860 -0.2252000 3.172000 
1 1 1   47    4   28 o   10.840   1.6190 -1.158000 3.238000 
1 1 1   47    4   29 o   22.340   0.7903 0.8853000 1.581000 
1 1 1   47    4   30 o   12.820   1.3730 0.9084000 2.745000 
1 1 1   47    4   31 o   9.4520   1.5510 -1.821000 3.103000 
1 1 1   47    5    0 o   34.590   0.7810 -0.000000 0.000000 
1 1 1   47    5    1 o   21.950   0.6538 -1.856000 1.308000 
1 1 1   47    5    2 o   22.920   0.6610 -1.874000 1.322000 
1 1 1   47    5    3 o   9.4520   1.3840 5.851000 2.767000 
1 1 1   47    5    4 o   35.080   0.5545 -2.398000 1.109000 
1 1 1   47    5    5 o   24.010   0.6433 2.499000 1.287000 
1 1 1   47    5    6 o   41.550   0.5658 4.154000 1.132000 
1 1 1   47    5    7 o   29.800   0.5677 1.410000 1.135000 
1 1 1   47    5    8 o   18.310   0.7752 0.6768000 1.550000 
1 1 1   47    5    9 o   25.200   0.6239 0.4571000 1.248000 
1 1 1   47    5   10 o   41.770   0.5743 0.1498000 1.149000 
1 1 1   47    5   11 o   39.090   0.5670 -1.018000 1.134000 
1 1 1   47    5   12 o   11.630   1.3200 -2.908000 2.641000 
1 1 1   47    5   13 o   17.750   0.8672 2.946000 1.734000 
1 1 1   47    5   14 o   75.910   0.8333 -0.9574000 1.667000 
1 1 1   47    5   15 o   18.430   0.8892 3.741000 1.778000 
1 1 1   47    5   16 o   20.710   0.8198 0.3071000 1.640000 
1 1 1   47    5   17 o   67.730   0.7678 2.735000 1.536000 
1 1 1   47    5   18 f   7.5220   1.8390 -0.9565000 3.677000 
1 1 1   47    5   19 o   22.970   0.8124 1.912000 1.625000 
1 1 1   47    5   20 o   26.060   0.7749 -0.4331000 1.550000 
1 1 1   47    5   21 o   32.330   0.6978 2.045000 1.396000 
1 1 1   47    5   22 o   16.000   1.2320 -4.374000 2.464000 
1 1 1   47    5   23 o   7.9790   1.9260 1.695000 3.852000 
1 1 1   47    5   24 o   22.290   0.8891 -0.9347000 1.778000 
1 1 1   47    5   25 o   7.3610   1.8250 -5.501000 3.650000 
1 1 1   47    5   26 o   18.630   1.0540 -3.603000 2.108000 
1 1 1   47    5   27 o   15.770   1.3050 1.508000 2.610000 
1 1 1   47    5   28 o   15.950   1.2600 0.6613000 2.521000 
1 1 1   47    5   29 o   9.7480   1.7050 3.681000 3.409000 
1 1 1   47    5   30 o   8.4710   1.8610 0.4339000 3.723000 
1 1 1   47    5   31 o   5.0700   1.5800 -2.177000 3.160000 
1 1 1   47    6    0 o   66.360   1.0520 -0.000000 0.000000 
1 1 1   47    6    1 o   43.860   0.5927 0.6244000 1.185000 
1 1 1   47    6    2 o   25.770   0.6342 -0.1780000 1.268000 
1 1 1   47    6    3 o   62.290   0.7140 -2.053000 1.428000 
1 1 1   47    6    4 o   26.890   0.6188 2.744000 1.238000 
1 1 1   47    6    5 o   26.540   0.6322 0.1709000 1.264000 
1 1 1   47    6    6 o   15.180   0.9917 4.296000 1.983000 
1 1 1   47    6    7 o   16.280   0.9176 -1.410000 1.835000 
1 1 1   47    6    8 o   47.180   0.6108 2.030000 1.222000 
1 1 1   47    6    9 o   22.240   0.7153 -0.8814000 1.431000 
1 1 1   47    6   10 o   18.230   0.8522 0.4555000 1.704000 
1 1 1   47    6   11 o   30.580   0.6011 -2.281000 1.202000 
1 1 1   47    6   12 o   23.190   0.7107 1.467000 1.421000 
1 1 1   47    6   13 o   44.750   0.6070 1.055000 1.214000 
1 1 1   47    6   14 o   45.910   0.6286 4.930000 1.257000 
1 1 1   47    6   15 o   30.770   0.6505 3.205000 1.301000 
1 1 1   47    6   16 o   40.470   0.6251 -4.552000 1.250000 
1 1 1   47    6   17 o   16.870   1.1020 2.132000 2.204000 
1 1 1   47    6   18 o   25.820   0.7734 -1.207000 1.547000 
1 1 1   47    6   19 o   28.570   0.7575 -0.2939000 1.515000 
1 1 1   47    6   20 o   22.460   0.9214 -0.5616000 1.843000 
1 1 1   47    6   21 o   13.410   1.6290 -8.202000 3.259000 
1 1 1   47    6   22 o   19.000   1.0900 1.663000 2.181000 
1 1 1   47    6   23 o   18.890   1.0880 -0.7891000 2.177000 
1 1 1   47    6   24 o   26.140   0.8352 1.405000 1.670000 
1 1 1   47    6   25 o   36.790   0.6661 -3.450000 1.332000 
1 1 1   47    6   26 o   32.710   0.7095 1.248000 1.419000 
1 1 1   47    6   27 o   10.040   1.8800 -0.8557000 3.761000 
1 1 1   47    6   28 o   6.1280   1.8050 0.2137000 3.609000 
1 1 1   47    6   29 o   8.9970   1.9170 -1.392000 3.835000 
1 1 1   47    6   30 o   5.3110   1.6860 -1.806000 3.373000 
1 1 1   47    6   31 o   13.300   1.3700 1.169000 2.741000 
1 1 1   47    7    0 o   20.380   1.1350 -0.000000 0.000000 
1 1 1   47    7    1 o   44.900   0.6096 1.415000 1.219000 
1 1 1   47    7    2 o   46.920   0.6167 -0.9189000 1.233000 
1 1 1   47    7    3 o   26.280   0.6643 0.3371000 1.329000 
1 1 1   47    7    4 o   52.610   0.6483 -2.449000 1.297000 
1 1 1   47    7    5 o   47.460   0.6183 0.9128000 1.237000 
1 1 1   47    7    6 o   37.500   0.5984 1.791000 1.197000 
1 1 1   47    7    7 o   31.260   0.6263 -4.162000 1.253000 
1 1 1   47    7    8 o   22.980   0.7483 -3.141000 1.497000 
1 1 1   47    7    9 o   38.250   0.5996 0.1329000E-01 1.199000 
1 1 1   47    7   10 f   51.550   0.6491 -0.6020000 1.298000 
1 1 1   47    7   11 o   13.230   1.3180 4.049000 2.636000 
1 1 1   47    7   12 o   30.940   0.6513 3.067000 1.303000 
1 1 1   47    7   13 o   34.000   0.6421 -2.310000 1.284000 
1 1 1   47    7   14 o   55.400   0.6881 -0.4033000E-01 1.376000 
1 1 1   47    7   15 o   22.370   0.8570 -0.1428000 1.714000 
1 1 1   47    7   16 o   25.730   0.7963 -2.196000 1.593000 
1 1 1   47    7   17 o   13.750   1.4520 1.754000 2.903000 
1 1 1   47    7   18 o   6.8680   1.8780 2.438000 3.756000 
1 1 1   47    7   19 o   22.590   0.9560 0.4087000 1.912000 
1 1 1   47    7   20 o   9.6940   1.9000 1.479000 3.801000 
1 1 1   47    7   21 o   18.740   1.3920      ?      ? 
1 1 1   47    7   22 o   9.0760   2.0160 -0.7108000 4.032000 
1 1 1   47    7   23 o   9.6210   1.9940 -3.453000 3.988000 
1 1 1   47    7   24 o   14.890   1.5470 2.528000 3.093000 
1 1 1   47    7   25 o   9.0990   2.0380 -0.8968000 4.076000 
1 1 1   47    7   26 o   16.250   1.3890 2.654000 2.779000 
1 1 1   47    7   27 o   16.570   1.3300 2.019000 2.661000 
1 1 1   47    7   28 o   6.3630   1.8620 0.1627000 3.725000 
1 1 1   47    7   29 f   16.860   1.2230 -1.077000 2.446000 
1 1 1   47    7   30 o   9.7310   1.8240 0.8062000E-01 3.648000 
1 1 1   47    8    0 o   46.790   0.8863 -0.000000 0.000000 
1 1 1   47    8    1 o   33.710   0.6190 -0.5872000 1.238000 
1 1 1   47    8    2 o   64.020   0.7386 -0.9845000 1.477000 
1 1 1   47    8    3 o   9.2610   1.7230 -2.157000 3.445000 
1 1 1   47    8    4 o   45.580   0.6254 1.031000 1.251000 
1 1 1   47    8    5 o   36.430   0.6334 0.1784000 1.267000 
1 1 1   47    8    6 o   42.480   0.6223 2.344000 1.245000 
1 1 1   47    8    7 o   69.180   0.7833 1.719000 1.567000 
1 1 1   47    8    8 o   49.110   0.6458 3.093000 1.292000 
1 1 1   47    8    9 o   41.640   0.6195 0.6294000E-01 1.239000 
1 1 1   47    8   10 o   6.7230   1.8210 0.5881000 3.641000 
1 1 1   47    8   11 o   25.000   0.7644 -3.421000 1.529000 
1 1 1   47    8   12 o   28.820   0.7197 -3.289000 1.439000 
1 1 1   47    8   13 o   22.510   0.8803 -3.212000 1.761000 
1 1 1   47    8   14 o   25.550   0.8043 -0.6187000 1.609000 
1 1 1   47    8   15 o   31.070   0.7368 -0.9769000 1.474000 
1 1 1   47    8   16 o   14.270   1.4550 -1.752000 2.909000 
1 1 1   47    8   17 o   39.800   0.6317 -2.165000 1.263000 
1 1 1   47    8   18 f   26.370   0.7882 1.180000 1.576000 
1 1 1   47    8   19 o   44.580   0.6460 2.459000 1.292000 
1 1 1   47    8   20 o   29.270   0.7966 0.7786000 1.593000 
1 1 1   47    8   21 o   8.6750   1.7060 6.636000 3.411000 
1 1 1   47    8   22 o   14.570   1.5630 1.566000 3.127000 
1 1 1   47    8   23 o   19.460   1.1810 2.622000 2.363000 
1 1 1   47    8   24 o   19.880   1.1530 0.2012000 2.305000 
1 1 1   47    8   25 o   16.670   1.3260 -1.521000 2.653000 
1 1 1   47    8   26 o   12.710   1.7710 0.9629000 3.543000 
1 1 1   47    8   27 o   8.6230   1.6280 6.923000 3.255000 
1 1 1   47    8   28 o   5.8230   1.7940 0.6604000E-01 3.588000 
1 1 1   47    8   29 o   9.6170   1.8390 3.385000 3.678000 
1 1 1   47    8   30 o   5.6700   1.7290 0.5511000 3.459000 
1 1 1   47    9    0 o   31.940   0.9550 -0.000000 0.000000 
1 1 1   47    9    1 o   44.170   0.6410 -2.490000 1.282000 
1 1 1   47    9    2 o   10.220   1.6590 -4.782000 3.318000 
1 1 1   47    9    3 o   55.700   0.6961 -0.6089000 1.392000 
1 1 1   47    9    4 o   58.100   0.7142 2.928000 1.428000 
1 1 1   47    9    5 o   15.930   1.1930 3.669000 2.387000 
1 1 1   47    9    6 o   21.080   0.8920 -1.956000 1.784000 
1 1 1   47    9    7 o   37.990   0.6505 2.853000 1.301000 
1 1 1   47    9    8 o   42.380   0.6459 -1.212000 1.292000 
1 1 1   47    9    9 o   13.640   1.4650 -4.785000 2.929000 
1 1 1   47    9   10 o   33.840   0.6880 1.128000 1.376000 
1 1 1   47    9   11 o   34.720   0.6865 -1.838000 1.373000 
1 1 1   47    9   12 o   22.510   0.9475 -4.105000 1.895000 
1 1 1   47    9   13 o   45.190   0.6779 -1.741000 1.356000 
1 1 1   47    9   14 o   36.020   0.7182 0.8983000 1.436000 
1 1 1   47    9   15 o   46.910   0.6365 1.904000 1.273000 
1 1 1   47    9   16 o   39.650   0.6512 -1.843000 1.302000 
1 1 1   47    9   17 o   41.540   0.6554 -1.420000 1.311000 
1 1 1   47    9   18 f   35.620   0.7021 1.832000 1.404000 
1 1 1   47    9   19 o   23.920   1.0270 1.901000 2.054000 
1 1 1   47    9   20 o   19.490   1.1660 1.968000 2.333000 
1 1 1   47    9   21 o   16.100   1.4370 -0.1446000 2.873000 
1 1 1   47    9   22 o   8.4500   2.0480 2.824000 4.097000 
1 1 1   47    9   23 o   17.480   1.3980 2.662000 2.797000 
1 1 1   47    9   24 o   6.2940   1.8650 2.339000 3.731000 
1 1 1   47    9   25 f   22.720   1.0250 -3.422000 2.050000 
1 1 1   47    9   26 o   11.520   1.9380 1.416000 3.876000 
1 1 1   47    9   27 o   15.780   1.4110 -1.346000 2.822000 
1 1 1   47    9   28 o   8.3460   1.8730 -6.789000 3.747000 
1 1 1   47    9   29 o   7.3750   1.8980 2.031000 3.797000 
1 1 1   47   10    0 f   41.860   0.9164 -0.000000 0.000000 
1 1 1   47   10    1 o   31.510   0.7009 2.322000 1.402000 
1 1 1   47   10    2 o   14.160   1.4690 -4.853000 2.938000 
1 1 1   47   10    3 o   60.200   0.7349 1.465000 1.470000 
1 1 1   47   10    4 o   41.900   0.6609 2.086000 1.322000 
1 1 1   47   10    5 o   6.8650   1.8350 3.324000 3.670000 
1 1 1   47   10    6 o   47.570   0.6715 -1.133000 1.343000 
1 1 1   47   10    7 o   30.480   0.7510 0.4319000E-01 1.502000 
1 1 1   47   10    8 o   9.9630   1.7910 -3.952000 3.582000 
1 1 1   47   10    9 o   23.010   0.9185 -2.142000 1.837000 
1 1 1   47   10   10 o   21.160   0.9987 -2.688000 1.997000 
1 1 1   47   10   11 o   37.380   0.7054 1.309000 1.411000 
1 1 1   47   10   12 o   35.300   0.6594 0.2558000E-01 1.319000 
1 1 1   47   10   13 o   14.900   1.4270 3.190000 2.855000 
1 1 1   47   10   14 f   99.520   0.9857 1.367000 1.971000 
1 1 1   47   10   15 o   23.700   0.9437 2.668000 1.887000 
1 1 1   47   10   16 o   20.980   1.2540 -2.887000 2.508000 
1 1 1   47   10   17 o   31.690   0.7772 -0.2592000 1.554000 
1 1 1   47   10   18 o   17.200   1.3940 4.003000 2.787000 
1 1 1   47   10   19 o   13.020   1.8120 2.331000 3.625000 
1 1 1   47   10   20 o   22.760   1.0760 -0.1608000 2.153000 
1 1 1   47   10   21 o   17.510   1.4090 -0.1056000 2.818000 
1 1 1   47   10   22 o   7.2230   2.0520 -3.162000 4.104000 
1 1 1   47   10   23 o   10.730   2.1310 0.1272000 4.262000 
1 1 1   47   10   24 o   24.850   1.0110 0.1523000 2.022000 
1 1 1   47   10   25 o   12.710   1.9130 0.7443000 3.826000 
1 1 1   47   10   26 f   7.0030   1.8580 4.191000 3.715000 
1 1 1   47   10   27 o   11.210   1.9880 -0.3078000 3.975000 
1 1 1   47   10   28 o   6.6230   1.9490 -1.692000 3.899000 
1 1 1   47   10   29 o   10.240   2.2950 -3.139000 4.589000 
1 1 1   47   11    0 o   14.800   2.0120 -0.000000 0.000000 
1 1 1   47   11    1 o   23.370   0.9171 -2.295000 1.834000 
1 1 1   47   11    2 o   42.900   0.6887 -0.7350000 1.377000 
1 1 1   47   11    3 o   34.830   0.7296 0.3369000 1.459000 
1 1 1   47   11    4 o   28.300   0.8024 -1.558000 1.605000 
1 1 1   47   11    5 o   13.880   1.6210 -4.364000 3.242000 
1 1 1   47   11    6 o   9.7100   1.9690 1.377000 3.938000 
1 1 1   47   11    7 o   45.260   0.6975 1.402000 1.395000 
1 1 1   47   11    8 o   47.410   0.7034 -0.3167000 1.407000 
1 1 1   47   11    9 f   7.8270   1.9600 -1.656000 3.920000 
1 1 1   47   11   10 f   34.850   0.7047 1.864000 1.409000 
1 1 1   47   11   11 o   33.610   0.7771 2.971000 1.554000 
1 1 1   47   11   12 o   13.020   1.6810 4.163000 3.361000 
1 1 1   47   11   13 o   36.940   0.6936 -0.6987000 1.387000 
1 1 1   47   11   14 o   16.320   1.3590 -0.4957000 2.718000 
1 1 1   47   11   15 o   55.630   0.6908 -0.7039000 1.382000 
1 1 1   47   11   16 o   38.430   0.7208 -1.932000 1.442000 
1 1 1   47   11   17 o   14.880   1.7330 6.997000 3.466000 
1 1 1   47   11   18 o   9.6350   1.8250 7.471000 3.650000 
1 1 1   47   11   19 o   12.650   1.8350 -9.572000 3.670000 
1 1 1   47   11   20 o   7.6070   2.1250 1.487000 4.249000 
1 1 1   47   11   21 o   15.250   1.7870 7.645000 3.575000 
1 1 1   47   11   22 o   13.060   1.9500 2.043000 3.901000 
1 1 1   47   11   23 o   10.840   2.1130 -4.872000 4.226000 
1 1 1   47   11   24 o   8.7890   2.0850 3.144000 4.169000 
1 1 1   47   11   25 o   15.930   1.5450 1.574000 3.090000 
1 1 1   47   11   26 o   4.8350   1.6430 0.1548000E-01 3.287000 
1 1 1   47   11   27 o   6.5500   1.9360 0.9624000 3.872000 
1 1 1   47   11   28 o   8.8440   2.0890 -2.932000 4.179000 
1 1 1   47   12    0 o   71.310   1.1720 -0.000000 0.000000 
1 1 1   47   12    1 o   16.700   1.3400 0.8597000 2.681000 
1 1 1   47   12    2 o   40.060   0.7192 0.4785000 1.438000 
1 1 1   47   12    3 o   31.670   0.8050 2.404000 1.610000 
1 1 1   47   12    4 o   33.790   0.7729 -5.013000 1.546000 
1 1 1   47   12    5 o   49.270   0.6669 -0.8175000 1.334000 
1 1 1   47   12    6 o   16.890   1.2750 1.033000 2.550000 
1 1 1   47   12    7 o   28.980   0.7815 -0.3019000 1.563000 
1 1 1   47   12    8 o   15.120   1.4820 2.930000 2.964000 
1 1 1   47   12    9 o   17.050   1.2970 -3.610000 2.594000 
1 1 1   47   12   10 o   19.610   1.1170 -2.285000 2.233000 
1 1 1   47   12   11 o   45.190   0.6926 -0.7595000 1.385000 
1 1 1   47   12   12 o   27.280   0.8930 0.2083000 1.786000 
1 1 1   47   12   13 o   43.230   0.7120 1.628000 1.424000 
1 1 1   47   12   14 o   52.560   0.7076 -1.314000 1.415000 
1 1 1   47   12   15 o   29.570   0.8751 -0.8053000 1.750000 
1 1 1   47   12   16 o   26.520   0.9758 0.2040000 1.952000 
1 1 1   47   12   17 o   22.180   1.1640 3.554000 2.329000 
1 1 1   47   12   18 o   27.860   0.9692 0.6339000E-01 1.938000 
1 1 1   47   12   19 f   12.170   2.0800 5.001000 4.159000 
1 1 1   47   12   20 o   11.200   2.1970 2.379000 4.395000 
1 1 1   47   12   21 o   15.050   1.8510 4.585000 3.702000 
1 1 1   47   12   22 o   24.140   1.1310 3.460000 2.263000 
1 1 1   47   12   23 o   9.0000   2.1630 3.188000 4.325000 
1 1 1   47   12   24 o   5.7330   1.8640 0.1346000 3.729000 
1 1 1   47   12   25 o   7.9930   2.1420 0.5347000 4.284000 
1 1 1   47   12   26 o   7.8110   2.1100 -3.250000 4.220000 
1 1 1   47   12   27 o   8.1080   2.1160 0.2260000 4.231000 
1 1 1   47   13    0 o   29.750   1.2140 -0.000000 0.000000 
1 1 1   47   13    1 o   28.760   0.8187 0.9172000 1.637000 
1 1 1   47   13    2 o   16.790   1.3600 2.473000 2.720000 
1 1 1   47   13    3 o   23.350   0.9785 -3.920000 1.957000 
1 1 1   47   13    4 o   7.0520   1.9990 -0.1940000 3.997000 
1 1 1   47   13    5 o   34.380   0.7617 0.9351000 1.523000 
1 1 1   47   13    6 o   8.1650   2.0810 -1.729000 4.162000 
1 1 1   47   13    7 o   8.9420   2.0010 3.821000 4.002000 
1 1 1   47   13    8 o   16.820   1.4010 -1.821000 2.801000 
1 1 1   47   13    9 f   18.160   1.4410 5.954000 2.883000 
1 1 1   47   13   10 o   10.860   2.0620 2.411000 4.124000 
1 1 1   47   13   11 o   15.570   1.6080 -3.951000 3.217000 
1 1 1   47   13   12 o   25.160   1.0350 0.9703000 2.070000 
1 1 1   47   13   13 o   26.170   1.0010 -0.6345000E-01 2.003000 
1 1 1   47   13   14 o   19.190   1.3580 0.6474000 2.717000 
1 1 1   47   13   15 o   17.380   1.5820 5.308000 3.165000 
1 1 1   47   13   16 o   26.560   1.0500 2.506000 2.099000 
1 1 1   47   13   17 o   14.940   1.8580 -3.456000 3.717000 
1 1 1   47   13   18 o   7.5930   2.0860 -4.615000 4.172000 
1 1 1   47   13   19 o   19.190   1.4250 -2.574000 2.851000 
1 1 1   47   13   20 o   16.390   1.7010 -2.599000 3.403000 
1 1 1   47   13   21 o   15.340   1.9570 -7.798000 3.915000 
1 1 1   47   13   22 o   10.700   2.0100 6.746000 4.020000 
1 1 1   47   13   23 o   7.1650   2.0040 -5.322000 4.008000 
1 1 1   47   13   24 o   9.4830   2.2100 1.532000 4.420000 
1 1 1   47   13   25 o   6.6670   2.0080 -2.387000 4.016000 
1 1 1   47   13   26 o   6.5150   1.9620 1.154000 3.925000 
1 1 1   47   14    0 f   8.5340   2.9240 -0.000000 0.000000 
1 1 1   47   14    1 o   46.690   0.6448 -1.206000 1.290000 
1 1 1   47   14    2 o   23.700   0.9601 -4.218000 1.920000 
1 1 1   47   14    3 o   22.770   0.9762 -1.154000 1.952000 
1 1 1   47   14    4 o   13.180   1.7140 1.018000 3.428000 
1 1 1   47   14    5 o   15.180   1.4730 -0.4076000 2.947000 
1 1 1   47   14    6 f   30.710   0.8684 0.5683000 1.737000 
1 1 1   47   14    7 o   29.650   0.8900 -1.184000 1.780000 
1 1 1   47   14    8 o   23.380   1.0900 0.7306000 2.181000 
1 1 1   47   14    9 o   12.980   1.9470 0.4715000 3.894000 
1 1 1   47   14   10 o   12.320   2.0910 -0.6514000 4.182000 
1 1 1   47   14   11 o   19.510   1.3700 1.170000 2.740000 
1 1 1   47   14   12 o   24.660   1.0840 1.174000 2.167000 
1 1 1   47   14   13 o   21.500   1.2860 -1.899000 2.573000 
1 1 1   47   14   14 o   27.940   1.0110 0.1568000 2.022000 
1 1 1   47   14   15 o   15.150   1.9380 6.104000 3.875000 
1 1 1   47   14   16 o   28.860   1.0030 -1.297000 2.006000 
1 1 1   47   14   17 o   15.880   1.8460 -3.699000 3.692000 
1 1 1   47   14   18 o   9.7740   2.2280 3.685000 4.457000 
1 1 1   47   14   19 o   9.4240   2.1830 -5.294000 4.367000 
1 1 1   47   14   20 o   11.980   2.1560 4.383000 4.312000 
1 1 1   47   14   21 o   10.630   2.2750 -0.7068000 4.550000 
1 1 1   47   14   22 o   8.4410   2.0080 -7.180000 4.017000 
1 1 1   47   14   23 o   9.5700   2.2840 -2.611000 4.567000 
1 1 1   47   14   24 o   11.940   2.1200 0.8429000 4.239000 
1 1 1   47   14   25 o   11.410   2.0980 -3.108000 4.195000 
1 1 1   47   15    0 f   4.6080   2.2450 -0.000000 0.000000 
1 1 1   47   15    1 o   46.790   0.6676 -0.6842000 1.335000 
1 1 1   47   15    2 o   8.0810   2.0790 2.975000 4.158000 
1 1 1   47   15    3 o   35.630   0.7476 1.264000 1.495000 
1 1 1   47   15    4 o   20.750   1.1770 4.644000 2.354000 
1 1 1   47   15    5 o   17.230   1.4210 1.280000 2.841000 
1 1 1   47   15    6 o   22.340   1.1140 2.055000 2.227000 
1 1 1   47   15    7 o   9.7360   2.1880 0.8191000 4.375000 
1 1 1   47   15    8 o   14.190   1.7930 -4.992000 3.585000 
1 1 1   47   15    9 o   13.960   1.8520 -3.161000 3.704000 
1 1 1   47   15   10 o   25.570   1.0100 0.9008000 2.020000 
1 1 1   47   15   11 o   30.820   0.8751 -2.484000 1.750000 
1 1 1   47   15   12 o   11.520   2.1700 -0.8286000 4.340000 
1 1 1   47   15   13 o   12.170   2.1190 3.674000 4.239000 
1 1 1   47   15   14 o   24.220   1.2420 -3.780000 2.484000 
1 1 1   47   15   15 o   21.180   1.4240 4.052000 2.848000 
1 1 1   47   15   16 o   16.680   1.7600 0.4604000 3.520000 
1 1 1   47   15   17 o   10.430   2.3080 -4.604000 4.615000 
1 1 1   47   15   18 o   8.6610   2.2960 2.203000 4.593000 
1 1 1   47   15   19 o   8.8720   2.2960 2.392000 4.591000 
1 1 1   47   15   20 o   10.510   2.0730 -8.221000 4.147000 
1 1 1   47   15   21 o   9.1810   2.3090 -2.692000 4.619000 
1 1 1   47   15   22 o   11.160   2.2060 4.237000 4.411000 
1 1 1   47   15   23 o   10.260   2.2480 0.5346000 4.496000 
1 1 1   47   15   24 o   8.2260   2.2500 -2.272000 4.499000 
1 1 1   47   16    0 o   43.350   1.0250 -0.000000 0.000000 
1 1 1   47   16    1 o   33.380   0.8224 -0.7144000 1.645000 
1 1 1   47   16    2 o   16.410   1.5810 0.9010000 3.162000 
1 1 1   47   16    3 f   8.8110   2.1570 3.540000 4.313000 
1 1 1   47   16    4 o   10.760   2.1960 1.928000 4.391000 
1 1 1   47   16    5 o   13.930   1.8690 -2.173000 3.738000 
1 1 1   47   16    6 o   14.390   1.8240 3.674000 3.647000 
1 1 1   47   16    7 o   18.740   1.3870 1.069000 2.773000 
1 1 1   47   16    8 o   27.530   0.9938 2.380000 1.988000 
1 1 1   47   16    9 o   14.580   1.8490 -0.1519000E-01 3.697000 
1 1 1   47   16   10 o   8.3500   2.2500 0.9221000 4.500000 
1 1 1   47   16   11 o   10.670   2.2780 -1.289000 4.556000 
1 1 1   47   16   12 o   10.230   2.3180 -0.7595000 4.636000 
1 1 1   47   16   13 o   16.930   1.6290 1.230000 3.257000 
1 1 1   47   16   14 o   10.070   2.1530 5.891000 4.306000 
1 1 1   47   16   15 o   12.650   2.1140 -2.077000 4.229000 
1 1 1   47   16   16 o   13.890   1.9740 1.990000 3.948000 
1 1 1   47   16   17 o   8.0390   2.2050 -2.157000 4.411000 
1 1 1   47   16   18 o   11.410   2.1610 4.047000 4.321000 
1 1 1   47   16   19 o   12.890   1.9990 6.224000 3.997000 
1 1 1   47   16   20 o   11.860   1.9770 -7.588000 3.954000 
1 1 1   47   16   21 o   6.9610   2.0840 0.3899000 4.168000 
1 1 1   47   16   22 o   11.510   2.0470 4.949000 4.094000 
1 1 1   47   17    0 o   11.060   3.2040 -0.000000 0.000000 
1 1 1   47   17    1 o   28.120   1.0140 -1.634000 2.028000 
1 1 1   47   17    2 o   8.8610   2.2950 0.2846000 4.589000 
1 1 1   47   17    3 o   9.4880   2.2790 2.006000 4.558000 
1 1 1   47   17    4 o   23.420   1.1830 -0.9086000E-01 2.366000 
1 1 1   47   17    5 o   13.580   2.0040 -7.559000 4.008000 
1 1 1   47   17    6 o   9.7110   2.3250 0.2437000E-01 4.650000 
1 1 1   47   17    7 o   12.530   2.1210 4.484000 4.243000 
1 1 1   47   17    8 o   16.950   1.6420 1.543000 3.284000 
1 1 1   47   17    9 o   11.650   2.0460 7.553000 4.091000 
1 1 1   47   17   10 o   9.9200   2.3040 2.891000 4.608000 
1 1 1   47   17   11 o   9.9260   2.2960 -1.832000 4.592000 
1 1 1   47   17   12 o   7.1880   2.1280 2.172000 4.255000 
1 1 1   47   17   13 o   9.3220   2.3120 -1.997000 4.624000 
1 1 1   47   17   14 o   9.1110   2.2760 -2.406000 4.552000 
1 1 1   47   17   15 o   11.390   2.0530 7.420000 4.107000 
1 1 1   47   17   16 o   9.9760   2.1860 4.658000 4.371000 
1 1 1   47   17   17 o   8.3250   2.2000 2.556000 4.399000 
1 1 1   47   17   18 o   9.4060   2.2330 -2.130000 4.466000 
1 1 1   47   17   19 o   6.3790   1.9650 2.650000 3.930000 
1 1 1   47   17   20 o   9.4780   2.2440 0.1691000 4.488000 
1 1 1   47   17   21 o   9.2740   2.2420 1.480000 4.484000 
1 1 1   47   18    0 o   13.220   3.0460 -0.000000 0.000000 
1 1 1   47   18    1 o   19.620   1.4410 -0.7975000 2.883000 
1 1 1   47   18    2 o   11.290   2.2710 3.268000 4.543000 
1 1 1   47   18    3 o   10.730   2.3210 -1.358000 4.643000 
1 1 1   47   18    4 o   9.4470   2.2650 -3.708000 4.530000 
1 1 1   47   18    5 o   6.5650   2.0740 1.198000 4.147000 
1 1 1   47   18    6 o   25.860   1.1270 -1.199000 2.255000 
1 1 1   47   18    7 o   28.690   1.0220 -1.518000 2.044000 
1 1 1   47   18    8 o   19.590   1.4530 -3.116000 2.906000 
1 1 1   47   18    9 f   10.340   2.2600 3.851000 4.521000 
1 1 1   47   18   10 o   13.690   2.0760 -1.471000 4.152000 
1 1 1   47   18   11 o   10.330   2.3260 -0.2656000 4.653000 
1 1 1   47   18   12 o   10.770   2.2960 -0.9357000 4.592000 
1 1 1   47   18   13 o   7.9450   2.2510 0.7723000 4.502000 
1 1 1   47   18   14 o   10.630   2.1130 6.355000 4.226000 
1 1 1   47   18   15 o   8.3950   2.1570 -3.436000 4.314000 
1 1 1   47   18   16 o   7.2500   2.1310 -0.1256000E-01 4.262000 
1 1 1   47   18   17 o   5.9150   1.8990 0.8234000 3.798000 
1 1 1   47   18   18 o   6.9320   2.0730 1.126000 4.147000 
1 1 1   47   18   19 o   6.9300   2.0480 -1.950000 4.097000 
1 1 1   47   19    0 f   6.9520   3.0590 -0.000000 0.000000 
1 1 1   47   19    1 o   12.260   2.2610 0.2867000 4.522000 
1 1 1   47   19    2 o   14.190   2.0100 0.5077000 4.019000 
1 1 1   47   19    3 o   11.300   2.2870 -1.058000 4.575000 
1 1 1   47   19    4 o   17.060   1.6670 -0.6633000 3.334000 
1 1 1   47   19    5 o   7.5110   2.2040 -0.9545000 4.407000 
1 1 1   47   19    6 o   14.840   1.9760 0.6908000 3.952000 
1 1 1   47   19    7 o   13.040   2.2730 0.2526000 4.546000 
1 1 1   47   19    8 o   7.4680   2.1980 1.552000 4.395000 
1 1 1   47   19    9 o   15.490   1.8860 0.6170000E-01 3.772000 
1 1 1   47   19   10 o   7.7510   2.1760 -2.954000 4.352000 
1 1 1   47   19   11 f   8.8800   2.2860 1.731000 4.572000 
1 1 1   47   19   12 o   10.310   2.1310 6.191000 4.262000 
1 1 1   47   19   13 o   10.650   2.1620 5.534000 4.324000 
1 1 1   47   19   14 o   9.1440   2.2860 0.6826000 4.571000 
1 1 1   47   19   15 o   6.2230   1.9730 0.3566000 3.945000 
1 1 1   47   19   16 o   9.4140   2.1340 -3.981000 4.267000 
1 1 1   47   19   17 o   7.3220   2.1120 -1.113000 4.224000 
1 1 1   47   20    0 o   5.9530   2.7880 -0.000000 0.000000 
1 1 1   47   20    1 o   19.080   1.5910 -0.5937000 3.182000 
1 1 1   47   20    2 o   22.090   1.3430 2.783000 2.686000 
1 1 1   47   20    3 o   9.3760   2.3790 1.480000 4.757000 
1 1 1   47   20    4 o   10.320   2.3700 3.038000 4.740000 
1 1 1   47   20    5 o   9.5890   2.3500 -2.260000 4.700000 
1 1 1   47   20    6 f   11.290   2.1010 7.178000 4.202000 
1 1 1   47   20    7 o   6.6950   2.0870 -1.494000 4.174000 
1 1 1   47   20    8 o   6.6850   2.0810 1.469000 4.162000 
1 1 1   47   20    9 o   11.620   2.1920 -4.285000 4.384000 
1 1 1   47   20   10 o   7.8340   2.1910 2.272000 4.383000 
1 1 1   47   20   11 o   12.190   2.1530 4.091000 4.307000 
1 1 1   47   20   12 o   8.6130   2.2730 0.2727000 4.546000 
1 1 1   47   20   13 o   9.6590   2.1080 6.204000 4.215000 
1 1 1   47   20   14 o   6.4570   2.0120 -0.4840000 4.025000 
1 1 1   47   21    0 o   9.4840   3.3550 -0.000000 0.000000 
1 1 1   47   21    1 o   9.6250   2.3780 -2.398000 4.756000 
1 1 1   47   21    2 o   8.6540   2.3440 0.9187000 4.689000 
1 1 1   47   21    3 o   10.120   2.3330 3.071000 4.666000 
1 1 1   47   21    4 o   6.6620   2.0440 -3.285000 4.088000 
1 1 1   47   21    5 o   11.810   2.2790 1.420000 4.558000 
1 1 1   47   21    6 o   5.9720   1.9220 2.338000 3.844000 
1 1 1   47   21    7 o   9.3600   2.3250 1.416000 4.651000 
1 1 1   47   21    8 o   14.190   1.9560 0.2721000 3.912000 
1 1 1   47   21    9 o   9.0660   2.2680 -0.9636000 4.535000 
1 1 1   47   21   10 o   7.2320   2.1260 0.8605000 4.252000 
1 1 1   47   21   11 o   8.5010   2.1280 -0.7316000 4.256000 
1 1 1   47   22    0 o   11.710   3.2630 -0.000000 0.000000 
1 1 1   47   22    1 o   9.5290   2.2500 5.156000 4.501000 
1 1 1   47   22    2 o   5.1240   1.7530 0.9420000 3.506000 
1 1 1   47   22    3 o   6.9930   2.1310 -1.069000 4.263000 
1 1 1   47   22    4 o   7.6940   2.2200 -0.6890000 4.440000 
1 1 1   47   22    5 o   9.2340   2.2660 -2.366000 4.532000 
1 1 1   47   22    6 o   6.6800   2.0510 2.208000 4.102000 
1 1 1   48    0    0 o   93.900   1.9960 -0.000000 0.000000 
1 1 1   48    0    1 o   8.3140   2.1620 -0.000000 0.000000 
1 1 1   48    0    2 o   38.570   0.7626 -0.000000 0.000000 
1 1 1   48    0    3 o   71.820   1.1090 -0.000000 0.000000 
1 1 1   48    0    4 o   12.830   1.4620 -0.000000 0.000000 
1 1 1   48    0    5 o   56.350   0.9158 -0.000000 0.000000 
1 1 1   48    0    6 o   45.670   0.8104 -0.000000 0.000000 
1 1 1   48    0    7 o   6.2440   2.2780 -0.000000 0.000000 
1 1 1   48    0    8 o   78.270   1.1980 -0.000000 0.000000 
1 1 1   48    0    9 o   7.0640   2.3920 -0.000000 0.000000 
1 1 1   48    0   10 o   90.720   1.3750 -0.000000 0.000000 
1 1 1   48    0   11 o   40.710   0.8061 -0.000000 0.000000 
1 1 1   48    0   12 o   49.220   0.8685 -0.000000 0.000000 
1 1 1   48    0   13 o   21.090   1.0050 -0.000000 0.000000 
1 1 1   48    0   14 o   35.690   0.8115 -0.000000 0.000000 
1 1 1   48    0   15 o   46.420   0.8554 -0.000000 0.000000 
1 1 1   48    0   16 o   40.600   0.8301 -0.000000 0.000000 
1 1 1   48    0   17 o   23.110   0.9970 -0.000000 0.000000 
1 1 1   48    0   18 o   5.3890   2.2920 -0.000000 0.000000 
1 1 1   48    0   19 o   36.450   0.8498 -0.000000 0.000000 
1 1 1   48    0   20 o   5.6640   2.3760 -0.000000 0.000000 
1 1 1   48    0   21 f   12.800   1.9970 -0.000000 0.000000 
1 1 1   48    0   22 o   11.290   2.2820 -0.000000 0.000000 
1 1 1   48    0   23 o   5.3490   2.3820 -0.000000 0.000000 
1 1 1   48    0   24 o   22.260   1.1910 -0.000000 0.000000 
1 1 1   48    0   25 o   7.8430   2.6700 -0.000000 0.000000 
1 1 1   48    0   26 o   5.2750   2.3630 -0.000000 0.000000 
1 1 1   48    0   27 o   12.150   2.2200 -0.000000 0.000000 
1 1 1   48    0   28 o   8.3530   2.6750 -0.000000 0.000000 
1 1 1   48    0   29 o   13.620   1.8440 -0.000000 0.000000 
1 1 1   48    0   30 o   8.7730   2.4230 -0.000000 0.000000 
1 1 1   48    0   31 o   5.7730   2.2870 -0.000000 0.000000 
1 1 1   48    0   32 o   4.6680   2.0230 -0.000000 0.000000 
1 1 1   48    1    0 o   20.090   0.7565 -0.000000 0.000000 
1 1 1   48    1    1 o   66.560   0.5984 1.152000 1.197000 
1 1 1   48    1    2 o   22.290   0.5038 -1.608000 1.008000 
1 1 1   48    1    3 o   37.900   0.4381 1.458000 0.8762000 
1 1 1   48    1    4 o   55.980   0.5247 4.282000 1.049000 
1 1 1   48    1    5 o   7.5150   1.1530 -6.264000 2.305000 
1 1 1   48    1    6 o   52.150   0.5001 -0.6267000 1.000000 
1 1 1   48    1    7 o   45.440   0.4657 5.983000 0.9313000 
1 1 1   48    1    8 o   44.360   0.4626 -3.039000 0.9251000 
1 1 1   48    1    9 o   56.500   0.5319 0.1002000 1.064000 
1 1 1   48    1   10 o   26.530   0.4893 -10.45000 0.9785000 
1 1 1   48    1   11 o   38.750   0.5222 2.844000 1.044000 
1 1 1   48    1   12 o   31.410   0.4511 -3.240000 0.9023000 
1 1 1   48    1   13 o   19.240   0.6631 1.149000 1.326000 
1 1 1   48    1   14 o   27.300   0.5552 1.009000 1.110000 
1 1 1   48    1   15 o   60.370   0.6332 -0.1020000 1.266000 
1 1 1   48    1   16 o   44.050   0.5416 -3.214000 1.083000 
1 1 1   48    1   17 o   34.540   0.5308 -0.3039000E-01 1.062000 
1 1 1   48    1   18 o   16.140   0.8445 -4.350000 1.689000 
1 1 1   48    1   19 o   23.700   0.7377      ?      ? 
1 1 1   48    1   20 o   37.310   0.6241 -1.169000 1.248000 
1 1 1   48    1   21 o   15.780   1.1440 -1.519000 2.287000 
1 1 1   48    1   22 o   14.770   1.2270 2.197000 2.455000 
1 1 1   48    1   23 o   46.380   0.6617 -0.3762000 1.323000 
1 1 1   48    1   24 o   44.620   0.6574 1.270000 1.315000 
1 1 1   48    1   25 o   9.4200   1.8570 -1.993000 3.714000 
1 1 1   48    1   26 o   17.250   1.1670 1.842000 2.333000 
1 1 1   48    1   27 o   8.1620   1.9230 0.5841000 3.846000 
1 1 1   48    1   28 o   5.1320   1.6430 -0.5536000 3.286000 
1 1 1   48    1   29 o   9.3740   1.4670 8.377000 2.933000 
1 1 1   48    1   30 o   23.210   0.7693 1.549000 1.539000 
1 1 1   48    1   31 o   7.0620   1.7060 -0.9741000 3.411000 
1 1 1   48    1   32 f   6.6350   1.4980 -2.340000 2.996000 
1 1 1   48    2    0 o   12.860   1.3390 -0.000000 0.000000 
1 1 1   48    2    1 o   20.490   0.6520 1.402000 1.304000 
1 1 1   48    2    2 o   47.080   0.5743 1.220000 1.149000 
1 1 1   48    2    3 o   20.950   0.8812      ?      ? 
1 1 1   48    2    4 o   51.110   0.6059 3.497000 1.212000 
1 1 1   48    2    5 o   63.790   0.7079 -4.625000 1.416000 
1 1 1   48    2    6 o   26.810   0.5543 1.416000 1.109000 
1 1 1   48    2    7 o   28.230   0.5427 -3.669000 1.085000 
1 1 1   48    2    8 o   31.010   0.5494 4.330000 1.099000 
1 1 1   48    2    9 o   17.120   0.7838 -3.018000 1.568000 
1 1 1   48    2   10 o   30.910   0.5464 1.140000 1.093000 
1 1 1   48    2   11 o   18.080   0.7373 4.064000 1.475000 
1 1 1   48    2   12 o   32.140   0.5037 2.847000 1.007000 
1 1 1   48    2   13 o   34.710   0.5052 1.922000 1.010000 
1 1 1   48    2   14 o   38.740   0.5156 1.666000 1.031000 
1 1 1   48    2   15 o   46.880   0.5444 2.224000 1.089000 
1 1 1   48    2   16 o   24.380   0.6086 0.4653000 1.217000 
1 1 1   48    2   17 o   39.710   0.5294 -2.099000 1.059000 
1 1 1   48    2   18 o   43.520   0.4925 0.6395000 0.9849000 
1 1 1   48    2   19 o   27.440   0.5390 -0.5836000 1.078000 
1 1 1   48    2   20 o   54.410   0.5497 -4.618000 1.099000 
1 1 1   48    2   21 o   8.4590   1.6760 -2.575000 3.352000 
1 1 1   48    2   22 o   11.010   1.4860 4.345000 2.971000 
1 1 1   48    2   23 o   24.960   0.6937 -1.250000 1.387000 
1 1 1   48    2   24 o   5.2670   1.6380 -1.892000 3.275000 
1 1 1   48    2   25 o   9.5530   1.6300 3.068000 3.261000 
1 1 1   48    2   26 f   13.770   1.3250 2.251000 2.651000 
1 1 1   48    2   27 o   27.600   0.6597 -3.511000 1.319000 
1 1 1   48    2   28 o   6.8000   1.8050 -3.499000 3.611000 
1 1 1   48    2   29 o   10.650   1.6730 -2.884000 3.346000 
1 1 1   48    2   30 o   6.4290   1.4220 4.755000 2.844000 
1 1 1   48    2   31 o   16.790   0.8821 0.2460000E-01 1.764000 
1 1 1   48    2   32 o   5.8880   1.4800 -4.987000 2.960000 
1 1 1   48    3    0 f   53.130   0.8835 -0.000000 0.000000 
1 1 1   48    3    1 o   18.820   0.7152 -3.558000 1.430000 
1 1 1   48    3    2 o   15.890   0.7963 1.991000 1.593000 
1 1 1   48    3    3 o   30.800   0.5284 0.1364000 1.057000 
1 1 1   48    3    4 o   32.610   0.5370 0.2402000E-01 1.074000 
1 1 1   48    3    5 o   13.080   0.9802 0.3939000 1.960000 
1 1 1   48    3    6 o   48.640   0.5868 -1.747000 1.174000 
1 1 1   48    3    7 o   18.280   0.7175 -3.842000 1.435000 
1 1 1   48    3    8 f   29.890   0.5454 1.374000 1.091000 
1 1 1   48    3    9 o   44.880   0.5750 4.825000 1.150000 
1 1 1   48    3   10 o   49.200   0.6017 -2.874000 1.203000 
1 1 1   48    3   11 o   22.350   0.6454 -4.398000 1.291000 
1 1 1   48    3   12 o   5.9410   1.5870 -1.644000 3.174000 
1 1 1   48    3   13 o   33.270   0.5591 1.461000 1.118000 
1 1 1   48    3   14 o   22.290   0.6875 -0.8290000 1.375000 
1 1 1   48    3   15 o   57.480   0.6746 -1.234000 1.349000 
1 1 1   48    3   16 o   15.600   0.9398 -1.523000 1.880000 
1 1 1   48    3   17 o   40.940   0.5878 -4.517000 1.176000 
1 1 1   48    3   18 o   48.220   0.6231 -1.818000 1.246000 
1 1 1   48    3   19 o   42.610   0.5561 1.161000 1.112000 
1 1 1   48    3   20 o   7.9020   1.7000 1.165000 3.400000 
1 1 1   48    3   21 o   53.540   0.6160 -1.806000 1.232000 
1 1 1   48    3   22 o   9.8330   1.5900 4.464000 3.179000 
1 1 1   48    3   23 o   11.750   1.5270 3.778000 3.053000 
1 1 1   48    3   24 o   49.840   0.6233 0.8906000 1.247000 
1 1 1   48    3   25 o   20.750   0.8640 -0.9276000 1.728000 
1 1 1   48    3   26 o   8.6220   1.6730 -3.477000 3.345000 
1 1 1   48    3   27 o   18.410   1.0040 2.194000 2.008000 
1 1 1   48    3   28 o   7.9710   1.7720 -1.299000 3.545000 
1 1 1   48    3   29 o   24.140   0.6903 -1.399000 1.381000 
1 1 1   48    3   30 o   14.220   1.0270 -2.168000 2.055000 
1 1 1   48    3   31 o   5.3930   1.5580 -1.258000 3.116000 
1 1 1   48    4    0 o   69.390   1.0790 -0.000000 0.000000 
1 1 1   48    4    1 o   37.040   0.7628      ?      ? 
1 1 1   48    4    2 o   6.4900   1.5890 -1.559000 3.177000 
1 1 1   48    4    3 o   27.950   0.5777 2.836000 1.155000 
1 1 1   48    4    4 o   25.210   0.6023 0.4055000 1.205000 
1 1 1   48    4    5 f   49.190   0.5991 1.243000 1.198000 
1 1 1   48    4    6 o   14.310   0.9206 -1.663000 1.841000 
1 1 1   48    4    7 o   14.860   0.9074 -4.128000 1.815000 
1 1 1   48    4    8 o   20.870   0.6770 3.441000 1.354000 
1 1 1   48    4    9 o   7.3950   1.6280 -0.7416000 3.255000 
1 1 1   48    4   10 o   15.570   0.9107 2.758000 1.821000 
1 1 1   48    4   11 o   6.5890   1.6370 -1.032000 3.274000 
1 1 1   48    4   12 o   23.570   0.6595 -0.4042000 1.319000 
1 1 1   48    4   13 o   37.690   0.5750 -2.797000 1.150000 
1 1 1   48    4   14 o   62.870   0.7154 1.006000 1.431000 
1 1 1   48    4   15 o   48.610   0.6184 -2.757000 1.237000 
1 1 1   48    4   16 o   42.820   0.5976 -2.044000 1.195000 
1 1 1   48    4   17 o   27.430   0.6576 -2.030000 1.315000 
1 1 1   48    4   18 o   75.300   0.8318 -1.432000 1.664000 
1 1 1   48    4   19 o   18.080   0.9669 2.374000 1.934000 
1 1 1   48    4   20 o   6.2830   1.6670 -4.518000 3.333000 
1 1 1   48    4   21 o   11.190   1.6290 -1.363000 3.258000 
1 1 1   48    4   22 o   43.220   0.6521 -2.545000 1.304000 
1 1 1   48    4   23 o   22.150   1.0300 9.013000 2.060000 
1 1 1   48    4   24 o   24.280   0.8644 0.4068000 1.729000 
1 1 1   48    4   25 o   9.5640   1.8070 0.3772000 3.615000 
1 1 1   48    4   26 o   19.790   0.9515 -2.039000 1.903000 
1 1 1   48    4   27 o   20.420   0.8834 -3.081000 1.767000 
1 1 1   48    4   28 o   8.5130   1.7530 1.529000 3.506000 
1 1 1   48    4   29 f   13.950   1.1980 -2.742000 2.395000 
1 1 1   48    4   30 o   7.4450   1.7780 -1.597000 3.556000 
1 1 1   48    4   31 o   8.4610   1.7670 -3.916000 3.534000 
1 1 1   48    5    0 f   52.810   0.8876 -0.000000 0.000000 
1 1 1   48    5    1 o   10.900   1.3190 1.919000 2.639000 
1 1 1   48    5    2 o   63.160   0.7131 1.540000 1.426000 
1 1 1   48    5    3 o   16.630   0.8490 3.071000 1.698000 
1 1 1   48    5    4 o   35.850   0.5598 0.2466000 1.120000 
1 1 1   48    5    5 o   10.770   1.3070 1.252000 2.613000 
1 1 1   48    5    6 o   34.500   0.5655 -3.164000 1.131000 
1 1 1   48    5    7 o   29.790   0.5976 6.401000 1.195000 
1 1 1   48    5    8 o   33.630   0.5671 -1.575000 1.134000 
1 1 1   48    5    9 o   43.740   0.5860 -5.792000 1.172000 
1 1 1   48    5   10 o   52.250   0.6305 1.460000 1.261000 
1 1 1   48    5   11 o   17.280   0.8459 -1.075000 1.692000 
1 1 1   48    5   12 o   18.300   0.8286 1.319000 1.657000 
1 1 1   48    5   13 o   27.150   0.6463 -1.049000 1.293000 
1 1 1   48    5   14 o   53.180   0.6525 -0.1541000 1.305000 
1 1 1   48    5   15 o   32.350   0.6232 4.085000 1.246000 
1 1 1   48    5   16 o   31.170   0.6339 -1.016000 1.268000 
1 1 1   48    5   17 o   38.790   0.6303 -1.643000 1.261000 
1 1 1   48    5   18 o   38.050   0.6344 -1.232000 1.269000 
1 1 1   48    5   19 o   38.390   0.6439 4.609000 1.288000 
1 1 1   48    5   20 o   10.490   1.7900 -0.2889000 3.580000 
1 1 1   48    5   21 o   42.560   0.6639 -2.549000 1.328000 
1 1 1   48    5   22 o   6.4010   1.8240 1.072000 3.647000 
1 1 1   48    5   23 o   16.420   1.2720 1.047000 2.544000 
1 1 1   48    5   24 o   13.500   1.5400 -3.159000 3.079000 
1 1 1   48    5   25 o   12.210   1.6980 3.053000 3.396000 
1 1 1   48    5   26 o   11.400   1.6500 8.013000 3.299000 
1 1 1   48    5   27 o   8.2240   1.8890 1.235000 3.779000 
1 1 1   48    5   28 o   15.200   1.3730 2.333000 2.746000 
1 1 1   48    5   29 f   13.480   1.5630 7.114000 3.126000 
1 1 1   48    5   30 o   12.330   1.4570 -0.4709000 2.914000 
1 1 1   48    5   31 o   7.6760   1.7390 -3.463000 3.478000 
1 1 1   48    6    0 o   50.670   0.8840 -0.000000 0.000000 
1 1 1   48    6    1 o   49.620   0.8779      ?      ? 
1 1 1   48    6    2 o   31.770   0.5985 -2.520000 1.197000 
1 1 1   48    6    3 o   23.860   0.6791 0.8611000 1.358000 
1 1 1   48    6    4 o   9.0390   1.5760 1.693000 3.151000 
1 1 1   48    6    5 o   63.660   0.7246 -2.231000 1.449000 
1 1 1   48    6    6 o   6.9760   1.6460 -2.757000 3.292000 
1 1 1   48    6    7 o   19.520   0.8041 -3.588000 1.608000 
1 1 1   48    6    8 o   44.200   0.5915 -1.894000 1.183000 
1 1 1   48    6    9 o   28.280   0.6261 -5.286000 1.252000 
1 1 1   48    6   10 o   9.7210   1.5370 -2.879000 3.073000 
1 1 1   48    6   11 o   36.100   0.5901 -3.577000 1.180000 
1 1 1   48    6   12 o   43.890   0.6037 -2.275000 1.207000 
1 1 1   48    6   13 o   30.000   0.6487 4.056000 1.297000 
1 1 1   48    6   14 o   32.570   0.6471 3.786000 1.294000 
1 1 1   48    6   15 o   18.040   0.9784 -1.358000 1.957000 
1 1 1   48    6   16 o   29.840   0.6918 -0.6559000 1.384000 
1 1 1   48    6   17 o   28.090   0.7222 -0.9614000 1.444000 
1 1 1   48    6   18 o   16.350   1.2360 3.757000 2.472000 
1 1 1   48    6   19 o   11.300   1.6880 -1.924000 3.377000 
1 1 1   48    6   20 o   8.5600   1.9680 -2.088000 3.936000 
1 1 1   48    6   21 o   25.470   0.8804 -1.142000 1.761000 
1 1 1   48    6   22 o   37.790   0.7206 -2.105000 1.441000 
1 1 1   48    6   23 o   16.430   1.2940 1.608000 2.589000 
1 1 1   48    6   24 o   8.5600   2.0070 -0.9048000 4.013000 
1 1 1   48    6   25 o   7.9440   1.9710 -3.188000 3.942000 
1 1 1   48    6   26 o   17.570   1.1820 0.3557000 2.363000 
1 1 1   48    6   27 o   16.550   1.2100 -4.798000 2.421000 
1 1 1   48    6   28 o   7.6640   1.7150 4.111000 3.431000 
1 1 1   48    6   29 o   7.6730   1.8550 1.573000 3.710000 
1 1 1   48    6   30 o   8.0360   1.7750 -6.112000 3.550000 
1 1 1   48    6   31 o   10.230   1.7870 3.291000 3.574000 
1 1 1   48    7    0 o   9.0090   2.3550 -0.000000 0.000000 
1 1 1   48    7    1 o   43.330   0.6054 -1.870000 1.211000 
1 1 1   48    7    2 o   36.000   0.5942 2.758000 1.188000 
1 1 1   48    7    3 o   38.260   0.5898 -0.5623000 1.180000 
1 1 1   48    7    4 o   19.410   0.8255 -0.4936000 1.651000 
1 1 1   48    7    5 o   23.540   0.7181 -0.8470000 1.436000 
1 1 1   48    7    6 o   38.350   0.6019 -2.710000 1.204000 
1 1 1   48    7    7 o   21.880   0.7678 -1.029000 1.536000 
1 1 1   48    7    8 o   32.810   0.6190 2.109000 1.238000 
1 1 1   48    7    9 o   7.3320   1.7980 -0.1356000E-01 3.596000 
1 1 1   48    7   10 o   38.840   0.6109 -1.453000 1.222000 
1 1 1   48    7   11 o   10.910   1.5250 -0.8203000 3.050000 
1 1 1   48    7   12 o   36.630   0.8905      ?      ? 
1 1 1   48    7   13 o   53.090   0.6761 -5.324000 1.352000 
1 1 1   48    7   14 o   23.510   0.8134 2.705000 1.627000 
1 1 1   48    7   15 f   54.720   0.6924 -0.8972000 1.385000 
1 1 1   48    7   16 o   6.0670   1.7380 -3.124000 3.475000 
1 1 1   48    7   17 o   20.680   0.9866 -2.694000 1.973000 
1 1 1   48    7   18 o   22.740   0.9525 -2.811000 1.905000 
1 1 1   48    7   19 o   8.5670   1.9860 -2.702000 3.972000 
1 1 1   48    7   20 o   30.230   0.7526 0.7777000 1.505000 
1 1 1   48    7   21 o   48.080   0.6533 -0.9915000 1.307000 
1 1 1   48    7   22 o   10.060   1.9760 -2.998000 3.953000 
1 1 1   48    7   23 o   17.850   1.2910 3.909000 2.583000 
1 1 1   48    7   24 o   6.8860   1.9580 0.1274000E-01 3.916000 
1 1 1   48    7   25 o   21.830   1.0280 1.817000 2.056000 
1 1 1   48    7   26 o   18.530   1.1680 -1.125000 2.335000 
1 1 1   48    7   27 o   8.2270   1.7000 5.728000 3.401000 
1 1 1   48    7   28 o   12.620   1.7050 3.993000 3.409000 
1 1 1   48    7   29 o   7.8710   1.8060 3.613000 3.612000 
1 1 1   48    7   30 o   7.7830   1.8860 -3.197000 3.771000 
1 1 1   48    8    0 o   5.8500   2.3800 -0.000000 0.000000 
1 1 1   48    8    1 o   41.950   0.6252 2.264000 1.250000 
1 1 1   48    8    2 o   8.8400   1.6540 -5.041000 3.308000 
1 1 1   48    8    3 o   31.740   0.6547 -1.241000 1.309000 
1 1 1   48    8    4 o   74.350   0.8281 2.850000 1.656000 
1 1 1   48    8    5 o   99.810   1.0700 1.319000 2.140000 
1 1 1   48    8    6 o   50.120   0.6562 -3.707000 1.312000 
1 1 1   48    8    7 o   62.960   0.7331 1.610000 1.466000 
1 1 1   48    8    8 o   55.230   0.6757 -1.579000 1.351000 
1 1 1   48    8    9 f   53.710   0.6735 -4.913000 1.347000 
1 1 1   48    8   10 o   46.970   0.6435 -2.390000 1.287000 
1 1 1   48    8   11 o   12.370   1.4960 -1.361000 2.992000 
1 1 1   48    8   12 o   24.940   0.7934 -1.114000 1.587000 
1 1 1   48    8   13 o   9.2930   1.7170 -5.734000 3.434000 
1 1 1   48    8   14 o   44.100   0.6723 -2.649000 1.345000 
1 1 1   48    8   15 o   36.790   0.7033 -2.209000 1.407000 
1 1 1   48    8   16 o   23.650   0.9183 2.156000 1.837000 
1 1 1   48    8   17 o   18.560   1.1480 0.4155000 2.296000 
1 1 1   48    8   18 o   13.140   1.6100 5.747000 3.220000 
1 1 1   48    8   19 o   26.110   1.0060 -2.350000 2.013000 
1 1 1   48    8   20 o   18.930   1.3840 -0.1577000E-02 2.767000 
1 1 1   48    8   21 o   28.750   0.8901 2.279000 1.780000 
1 1 1   48    8   22 o   11.500   1.9170 1.508000 3.834000 
1 1 1   48    8   23 o   24.700   0.9368 -1.912000 1.874000 
1 1 1   48    8   24 o   21.920   1.0730 -0.6865000E-02 2.146000 
1 1 1   48    8   25 o   10.920   1.9610 -3.437000 3.923000 
1 1 1   48    8   26 o   15.640   1.4150 -2.685000 2.830000 
1 1 1   48    8   27 o   6.7330   1.9050 0.9617000 3.810000 
1 1 1   48    8   28 o   4.9690   1.6270 0.5495000 3.253000 
1 1 1   48    8   29 o   6.6610   1.8760 0.6144000 3.752000 
1 1 1   48    8   30 o   10.380   1.6370 -9.397000 3.273000 
1 1 1   48    9    0 o   18.490   1.4190 -0.000000 0.000000 
1 1 1   48    9    1 o   40.400   0.6395 -2.955000 1.279000 
1 1 1   48    9    2 o   28.400   0.7255 2.528000 1.451000 
1 1 1   48    9    3 o   39.330   0.6458 1.076000 1.292000 
1 1 1   48    9    4 o   75.930   0.8504 -1.039000 1.701000 
1 1 1   48    9    5 o   24.600   0.8099 -1.056000 1.620000 
1 1 1   48    9    6 o   51.040   0.6682 1.365000 1.336000 
1 1 1   48    9    7 o   34.120   0.6697 -3.185000 1.339000 
1 1 1   48    9    8 o   35.200   0.6784 0.9545000 1.357000 
1 1 1   48    9    9 o   37.980   0.6672 -1.897000 1.334000 
1 1 1   48    9   10 o   32.310   0.7058 -2.405000 1.412000 
1 1 1   48    9   11 o   27.870   0.7797 2.975000 1.559000 
1 1 1   48    9   12 o   8.0040   1.8980 -2.654000 3.796000 
1 1 1   48    9   13 o   28.920   0.7794 1.935000 1.559000 
1 1 1   48    9   14 o   49.090   0.6991 -0.2068000E-01 1.398000 
1 1 1   48    9   15 o   43.790   0.6399 -0.8238000E-01 1.280000 
1 1 1   48    9   16 o   43.960   0.6440 -3.693000 1.288000 
1 1 1   48    9   17 o   16.300   1.3220 3.124000 2.643000 
1 1 1   48    9   18 o   21.100   1.0460 3.187000 2.092000 
1 1 1   48    9   19 o   6.6060   1.9350 -0.2847000 3.869000 
1 1 1   48    9   20 o   22.910   1.0240 2.786000 2.049000 
1 1 1   48    9   21 o   7.9350   2.0810 1.204000 4.163000 
1 1 1   48    9   22 o   7.3160   2.0630 -1.272000 4.126000 
1 1 1   48    9   23 o   13.080   1.8820 3.501000 3.764000 
1 1 1   48    9   24 o   8.1580   2.0070 3.179000 4.014000 
1 1 1   48    9   25 o   10.020   2.0860 1.117000 4.172000 
1 1 1   48    9   26 o   16.920   1.5160 6.228000 3.033000 
1 1 1   48    9   27 f   7.5150   2.0430 -2.283000 4.086000 
1 1 1   48    9   28 o   14.440   1.6290 2.613000 3.259000 
1 1 1   48    9   29 o   11.500   1.8030 3.189000 3.606000 
1 1 1   48   10    0 o   6.1440   2.5710 -0.000000 0.000000 
1 1 1   48   10    1 o   21.730   0.9243 2.444000 1.849000 
1 1 1   48   10    2 o   10.410   1.8140 0.6525000 3.627000 
1 1 1   48   10    3 o   60.830   0.7397 -1.123000 1.479000 
1 1 1   48   10    4 o   6.9950   1.9090 0.3452000 3.818000 
1 1 1   48   10    5 o   26.790   0.7962 3.146000 1.592000 
1 1 1   48   10    6 o   41.760   0.6762 2.283000 1.352000 
1 1 1   48   10    7 o   20.340   1.0420 -4.186000 2.085000 
1 1 1   48   10    8 o   8.0150   1.9690 0.3047000 3.938000 
1 1 1   48   10    9 o   10.120   1.8470 -3.090000 3.695000 
1 1 1   48   10   10 f   30.930   0.7525 -0.1148000 1.505000 
1 1 1   48   10   11 o   18.510   1.1450 1.422000 2.291000 
1 1 1   48   10   12 o   30.180   0.7362 -1.559000 1.472000 
1 1 1   48   10   13 o   22.200   0.9405 -3.837000 1.881000 
1 1 1   48   10   14 o   26.990   0.8420 -1.409000 1.684000 
1 1 1   48   10   15 o   49.740   0.6694 -2.060000 1.339000 
1 1 1   48   10   16 o   52.090   0.6791 1.363000 1.358000 
1 1 1   48   10   17 o   14.900   1.5300 -1.513000 3.060000 
1 1 1   48   10   18 o   20.750   1.1530 3.590000 2.307000 
1 1 1   48   10   19 o   17.180   1.4060 2.530000 2.811000 
1 1 1   48   10   20 o   13.740   1.8200 -7.843000 3.640000 
1 1 1   48   10   21 o   9.5850   2.2000 -0.3064000 4.401000 
1 1 1   48   10   22 o   16.640   1.5180 2.043000 3.035000 
1 1 1   48   10   23 o   27.250   0.9355 3.874000 1.871000 
1 1 1   48   10   24 f   13.080   1.8680 -1.371000 3.737000 
1 1 1   48   10   25 o   9.5060   1.9400 5.222000 3.880000 
1 1 1   48   10   26 o   9.0170   2.1240 -1.568000 4.247000 
1 1 1   48   10   27 o   18.480   1.2670 -0.6941000 2.535000 
1 1 1   48   10   28 o   6.9630   1.9860 -2.665000 3.971000 
1 1 1   48   11    0 o   16.880   1.7460 -0.000000 0.000000 
1 1 1   48   11    1 o   26.250   0.8433 -2.778000 1.687000 
1 1 1   48   11    2 o   12.870   1.6950 1.805000 3.390000 
1 1 1   48   11    3 o   47.910   0.6943 -1.507000 1.389000 
1 1 1   48   11    4 o   18.790   1.1460 0.3955000 2.292000 
1 1 1   48   11    5 o   30.310   0.7621 0.1724000 1.524000 
1 1 1   48   11    6 o   48.760   0.7008 -0.8791000 1.402000 
1 1 1   48   11    7 o   15.030   1.4380 1.880000 2.877000 
1 1 1   48   11    8 o   29.800   0.8080 1.671000 1.616000 
1 1 1   48   11    9 f   14.370   1.4430 -2.226000 2.886000 
1 1 1   48   11   10 o   43.460   0.6479 -1.672000 1.296000 
1 1 1   48   11   11 o   48.250   0.6593 -0.9386000 1.319000 
1 1 1   48   11   12 o   6.8270   1.9410 0.1654000 3.882000 
1 1 1   48   11   13 o   44.130   0.6687 2.238000 1.337000 
1 1 1   48   11   14 o   19.710   1.1720 3.332000 2.344000 
1 1 1   48   11   15 o   41.920   0.6984 2.213000 1.397000 
1 1 1   48   11   16 o   25.980   0.9396 -1.313000 1.879000 
1 1 1   48   11   17 o   33.230   0.8001 -1.794000 1.600000 
1 1 1   48   11   18 o   16.010   1.5260 -1.655000 3.051000 
1 1 1   48   11   19 o   7.0560   2.0080 2.560000 4.016000 
1 1 1   48   11   20 o   22.850   1.1180 0.1853000 2.237000 
1 1 1   48   11   21 o   23.210   1.0920 -0.6949000 2.184000 
1 1 1   48   11   22 o   31.860   0.8685 -2.938000 1.737000 
1 1 1   48   11   23 o   19.530   1.3130 0.7496000 2.625000 
1 1 1   48   11   24 o   16.850   1.4870 -1.401000 2.974000 
1 1 1   48   11   25 o   11.480   2.0340 -1.551000 4.069000 
1 1 1   48   11   26 o   10.910   2.1070 -0.7197000E-01 4.214000 
1 1 1   48   11   27 o   9.0270   2.1330 -0.2897000 4.266000 
1 1 1   48   11   28 o   9.2370   2.2130 -6.598000 4.426000 
1 1 1   48   12    0 o   41.950   1.0210 -0.000000 0.000000 
1 1 1   48   12    1 o   21.540   1.0720 2.328000 2.144000 
1 1 1   48   12    2 o   18.980   1.2000 0.6101000 2.401000 
1 1 1   48   12    3 o   14.750   1.6130 5.245000 3.225000 
1 1 1   48   12    4 o   12.520   1.8400 1.667000 3.681000 
1 1 1   48   12    5 o   18.770   1.2550 -0.8194000 2.510000 
1 1 1   48   12    6 o   15.530   1.4710 4.308000 2.942000 
1 1 1   48   12    7 o   7.4880   1.9070 3.183000 3.814000 
1 1 1   48   12    8 o   27.290   0.8298 -1.017000 1.660000 
1 1 1   48   12    9 f   36.550   0.7247 -0.9291000 1.449000 
1 1 1   48   12   10 o   35.520   0.7468 -0.9937000 1.494000 
1 1 1   48   12   11 f   15.680   1.4910 -2.519000 2.981000 
1 1 1   48   12   12 o   36.560   0.7556 -1.383000 1.511000 
1 1 1   48   12   13 o   7.7380   2.0960 1.509000 4.192000 
1 1 1   48   12   14 o   38.170   0.7591 3.505000 1.518000 
1 1 1   48   12   15 o   29.070   0.9101 0.5890000 1.820000 
1 1 1   48   12   16 o   25.640   1.0110 -0.2554000E-01 2.021000 
1 1 1   48   12   17 o   19.540   1.3790 4.602000 2.759000 
1 1 1   48   12   18 o   10.060   2.0620 5.591000 4.125000 
1 1 1   48   12   19 o   21.460   1.2560 -1.538000 2.511000 
1 1 1   48   12   20 o   17.970   1.5020 -1.939000 3.004000 
1 1 1   48   12   21 o   20.420   1.3570 -7.754000 2.715000 
1 1 1   48   12   22 o   27.720   0.9793 -0.8322000 1.959000 
1 1 1   48   12   23 o   17.910   1.4450 0.3056000 2.891000 
1 1 1   48   12   24 o   9.4210   2.2160 -0.5113000 4.432000 
1 1 1   48   12   25 o   8.0630   2.1110 -3.578000 4.222000 
1 1 1   48   12   26 o   8.1360   2.1120 -2.876000 4.225000 
1 1 1   48   12   27 o   7.2600   1.9840 2.388000 3.969000 
1 1 1   48   13    0 o   5.5610   2.5460 -0.000000 0.000000 
1 1 1   48   13    1 o   16.660   1.4460 1.040000 2.891000 
1 1 1   48   13    2 o   6.8220   1.9510 -2.490000 3.901000 
1 1 1   48   13    3 o   17.270   1.3170 -4.115000 2.634000 
1 1 1   48   13    4 o   16.890   1.3400 -0.3943000 2.679000 
1 1 1   48   13    5 o   21.800   1.0700 -3.869000 2.139000 
1 1 1   48   13    6 o   24.330   0.9763 -2.550000 1.953000 
1 1 1   48   13    7 o   30.460   0.8322 -4.657000 1.664000 
1 1 1   48   13    8 o   50.710   0.6998 -0.2592000 1.400000 
1 1 1   48   13    9 o   42.540   0.7851 2.824000 1.570000 
1 1 1   48   13   10 o   14.070   1.7520 -0.5990000 3.504000 
1 1 1   48   13   11 o   24.490   1.0610 -1.012000 2.122000 
1 1 1   48   13   12 o   7.3990   2.1060 1.307000 4.213000 
1 1 1   48   13   13 o   22.630   1.1670 1.605000 2.334000 
1 1 1   48   13   14 o   8.3550   2.0600 4.871000 4.121000 
1 1 1   48   13   15 o   35.290   0.8297 -0.7331000 1.659000 
1 1 1   48   13   16 o   25.150   1.1030 1.784000 2.207000 
1 1 1   48   13   17 o   9.3300   2.2740 1.634000 4.548000 
1 1 1   48   13   18 o   16.780   1.6680 0.9846000 3.337000 
1 1 1   48   13   19 o   17.290   1.6150 -4.789000 3.230000 
1 1 1   48   13   20 f   5.7080   1.8770 -0.1669000 3.754000 
1 1 1   48   13   21 o   12.980   1.9220 8.974000 3.843000 
1 1 1   48   13   22 o   7.9740   2.2470 -2.355000 4.494000 
1 1 1   48   13   23 o   9.0790   2.0730 -6.452000 4.147000 
1 1 1   48   13   24 o   9.0570   2.1310 -5.224000 4.262000 
1 1 1   48   13   25 o   13.300   1.8950 2.216000 3.791000 
1 1 1   48   13   26 o   6.8920   1.9260 -5.097000 3.852000 
1 1 1   48   14    0 o   59.440   0.9371 -0.000000 0.000000 
1 1 1   48   14    1 o   47.300   0.6430 0.1861000 1.286000 
1 1 1   48   14    2 o   26.860   0.8503 0.2204000 1.701000 
1 1 1   48   14    3 o   22.190   1.0230 0.1633000 2.047000 
1 1 1   48   14    4 o   34.240   0.7507 3.476000 1.501000 
1 1 1   48   14    5 o   35.180   0.8115 2.405000 1.623000 
1 1 1   48   14    6 o   14.590   1.7930 5.365000 3.585000 
1 1 1   48   14    7 o   7.6540   2.1480 -0.1837000 4.295000 
1 1 1   48   14    8 o   24.380   1.0590 1.033000 2.118000 
1 1 1   48   14    9 o   12.020   2.0370 -2.842000 4.073000 
1 1 1   48   14   10 o   24.370   1.4080      ?      ? 
1 1 1   48   14   11 o   12.930   2.0610 0.1508000 4.121000 
1 1 1   48   14   12 o   9.6120   2.1960 -4.486000 4.393000 
1 1 1   48   14   13 o   7.7920   2.2040 0.5309000 4.408000 
1 1 1   48   14   14 o   12.530   2.1810 3.579000 4.361000 
1 1 1   48   14   15 o   28.550   1.0030 0.3507000 2.005000 
1 1 1   48   14   16 o   13.140   2.1170 -4.263000 4.234000 
1 1 1   48   14   17 o   18.940   1.6530 7.462000 3.306000 
1 1 1   48   14   18 o   14.900   1.9170 -2.461000 3.834000 
1 1 1   48   14   19 o   7.2060   2.1460 0.3773000 4.292000 
1 1 1   48   14   20 o   7.5870   2.1850 1.382000 4.370000 
1 1 1   48   14   21 o   13.510   2.0400 1.240000 4.080000 
1 1 1   48   14   22 o   9.9850   2.3000 -1.245000 4.600000 
1 1 1   48   14   23 o   8.3300   2.2400 -2.109000 4.481000 
1 1 1   48   14   24 f   9.1560   3.0840      ?      ? 
1 1 1   48   14   25 o   9.4160   3.0430      ?      ? 
1 1 1   48   15    0 o   11.750   2.8750 -0.000000 0.000000 
1 1 1   48   15    1 o   15.220   1.5880 0.8282000 3.177000 
1 1 1   48   15    2 o   26.580   0.9143 -1.471000 1.829000 
1 1 1   48   15    3 o   8.0840   2.1330 -1.264000 4.266000 
1 1 1   48   15    4 o   27.090   0.9355 -2.961000 1.871000 
1 1 1   48   15    5 o   22.170   1.1050 -0.6617000 2.210000 
1 1 1   48   15    6 o   10.360   1.9810 6.388000 3.962000 
1 1 1   48   15    7 o   9.9890   2.1210 -3.239000 4.241000 
1 1 1   48   15    8 o   9.8860   2.1910 0.1757000 4.382000 
1 1 1   48   15    9 o   13.300   2.0470 10.57000 4.093000 
1 1 1   48   15   10 o   9.5300   2.2430 -0.5501000 4.486000 
1 1 1   48   15   11 o   6.4450   1.9470 -3.082000 3.893000 
1 1 1   48   15   12 o   19.460   1.4750 -3.200000 2.951000 
1 1 1   48   15   13 o   25.130   1.2050 3.436000 2.411000 
1 1 1   48   15   14 o   7.6580   2.2030 -3.113000 4.406000 
1 1 1   48   15   15 o   24.560   1.2150 -0.1866000 2.430000 
1 1 1   48   15   16 o   27.790   1.0760 -4.378000 2.152000 
1 1 1   48   15   17 o   13.670   2.1170 9.776000 4.234000 
1 1 1   48   15   18 o   7.4340   2.2320 -1.282000 4.464000 
1 1 1   48   15   19 o   19.100   1.5530 1.528000 3.106000 
1 1 1   48   15   20 o   7.6950   2.2370 -1.481000 4.473000 
1 1 1   48   15   21 o   16.790   1.7280 -3.107000 3.456000 
1 1 1   48   15   22 o   9.3990   2.2460 -4.745000 4.493000 
1 1 1   48   15   23 o   10.750   2.0940 4.625000 4.188000 
1 1 1   48   16    0 o   15.750   2.3390 -0.000000 0.000000 
1 1 1   48   16    1 o   11.650   2.1210 -2.878000 4.241000 
1 1 1   48   16    2 o   16.120   1.6180 -1.610000 3.235000 
1 1 1   48   16    3 o   25.280   1.0360 1.622000 2.071000 
1 1 1   48   16    4 o   13.210   1.9500 -1.030000 3.901000 
1 1 1   48   16    5 o   6.4200   1.9840 1.132000 3.968000 
1 1 1   48   16    6 o   9.5780   2.2640 -0.4654000 4.528000 
1 1 1   48   16    7 o   20.020   1.3250 0.6357000 2.650000 
1 1 1   48   16    8 o   12.600   2.0660 3.999000 4.132000 
1 1 1   48   16    9 o   11.010   2.1050 -5.943000 4.211000 
1 1 1   48   16   10 o   10.280   2.2870 1.554000 4.574000 
1 1 1   48   16   11 o   7.9670   2.1940 2.381000 4.388000 
1 1 1   48   16   12 o   16.270   1.6890 -1.619000 3.378000 
1 1 1   48   16   13 o   21.930   1.2690 2.006000 2.539000 
1 1 1   48   16   14 o   27.470   1.0330 1.554000 2.067000 
1 1 1   48   16   15 o   21.010   1.2890 -0.2673000 2.577000 
1 1 1   48   16   16 o   10.760   2.2730 0.7207000 4.546000 
1 1 1   48   16   17 o   11.560   2.1920 0.7207000 4.384000 
1 1 1   48   16   18 o   9.2890   2.2270 -2.793000 4.454000 
1 1 1   48   16   19 o   6.2950   1.9860 -0.8874000 3.973000 
1 1 1   48   16   20 o   6.7130   2.0460 1.101000 4.092000 
1 1 1   48   16   21 o   6.8640   2.0520 -1.288000 4.104000 
1 1 1   48   16   22 o   7.6160   2.1520 -0.2055000 4.304000 
1 1 1   48   17    0 o   5.6410   2.6460 -0.000000 0.000000 
1 1 1   48   17    1 o   9.7190   2.3160 1.016000 4.631000 
1 1 1   48   17    2 o   8.5850   2.1860 4.008000 4.372000 
1 1 1   48   17    3 o   18.610   1.4910 -0.5486000E-01 2.982000 
1 1 1   48   17    4 o   15.340   1.8420 2.154000 3.684000 
1 1 1   48   17    5 o   6.2960   1.9950 1.661000 3.991000 
1 1 1   48   17    6 o   14.000   1.9920 -1.175000 3.984000 
1 1 1   48   17    7 o   10.830   2.1220 6.379000 4.244000 
1 1 1   48   17    8 o   20.870   1.3270 0.5061000 2.655000 
1 1 1   48   17    9 o   20.140   1.3990 -2.262000 2.798000 
1 1 1   48   17   10 o   8.4950   2.2330 3.357000 4.467000 
1 1 1   48   17   11 o   8.3410   2.2560 -1.835000 4.511000 
1 1 1   48   17   12 o   7.5730   2.1200 -3.694000 4.239000 
1 1 1   48   17   13 o   15.720   1.8250 -2.062000 3.650000 
1 1 1   48   17   14 o   8.2780   2.2820 0.1960000 4.564000 
1 1 1   48   17   15 o   20.160   1.3870 -2.982000 2.774000 
1 1 1   48   17   16 o   17.750   1.5630 -4.833000 3.126000 
1 1 1   48   17   17 o   9.6420   2.1080 5.629000 4.216000 
1 1 1   48   17   18 o   11.250   1.9630 -7.705000 3.927000 
1 1 1   48   17   19 o   10.690   2.0720 -5.315000 4.144000 
1 1 1   48   17   20 o   9.0160   2.2110 1.985000 4.421000 
1 1 1   48   18    0 o   29.180   1.4420 -0.000000 0.000000 
1 1 1   48   18    1 o   17.720   1.6310 -2.635000 3.262000 
1 1 1   48   18    2 o   9.8190   2.3590 1.527000 4.718000 
1 1 1   48   18    3 o   9.3290   2.3410 -0.2034000 4.682000 
1 1 1   48   18    4 o   15.080   1.9270 1.771000 3.855000 
1 1 1   48   18    5 o   9.3700   2.3110 -2.560000 4.623000 
1 1 1   48   18    6 o   10.270   2.2500 -4.218000 4.499000 
1 1 1   48   18    7 o   8.1500   2.2400 -2.562000 4.481000 
1 1 1   48   18    8 o   17.060   1.6460 -0.5160000 3.291000 
1 1 1   48   18    9 o   22.980   1.2480 -1.521000 2.495000 
1 1 1   48   18   10 o   8.0480   2.2010 3.328000 4.401000 
1 1 1   48   18   11 o   7.9080   2.1160 -4.390000 4.232000 
1 1 1   48   18   12 o   10.930   2.1620 6.071000 4.324000 
1 1 1   48   18   13 o   10.150   2.3380 -0.9496000 4.676000 
1 1 1   48   18   14 o   7.2710   2.1240 2.953000 4.247000 
1 1 1   48   18   15 o   6.4290   2.0090 -0.5380000 4.018000 
1 1 1   48   18   16 o   7.7950   2.1520 -1.731000 4.304000 
1 1 1   48   18   17 o   7.7810   2.1400 2.484000 4.279000 
1 1 1   48   18   18 o   15.310   1.6930 1.277000 3.386000 
1 1 1   48   18   19 o   10.300   2.2110 4.279000 4.423000 
1 1 1   48   19    0 o   9.7430   3.3930 -0.000000 0.000000 
1 1 1   48   19    1 o   7.7420   2.2190 2.150000 4.438000 
1 1 1   48   19    2 o   10.480   2.2380 -4.296000 4.475000 
1 1 1   48   19    3 o   10.960   2.3350 -0.1126000 4.670000 
1 1 1   48   19    4 o   7.3550   2.1890 2.489000 4.378000 
1 1 1   48   19    5 o   6.7380   2.1000 0.3618000 4.200000 
1 1 1   48   19    6 o   7.0630   2.1530 1.057000 4.306000 
1 1 1   48   19    7 o   13.300   2.1450 0.8753000 4.289000 
1 1 1   48   19    8 o   9.8000   2.3570 1.832000 4.714000 
1 1 1   48   19    9 o   12.830   2.1870 -2.318000 4.375000 
1 1 1   48   19   10 o   7.8670   2.0070 -5.948000 4.014000 
1 1 1   48   19   11 f   10.510   2.1900 5.360000 4.380000 
1 1 1   48   19   12 o   7.8790   2.2410 0.2260000 4.482000 
1 1 1   48   19   13 o   6.8520   2.0860 -1.636000 4.173000 
1 1 1   48   19   14 o   9.0140   2.2760 1.752000 4.551000 
1 1 1   48   19   15 o   8.4940   2.2330 0.7277000 4.466000 
1 1 1   48   19   16 o   9.5870   2.1850 -2.266000 4.370000 
1 1 1   48   20    0 o   18.000   2.4210 -0.000000 0.000000 
1 1 1   48   20    1 o   7.9760   2.2730 -2.120000 4.546000 
1 1 1   48   20    2 o   9.8590   2.4040 -1.273000 4.808000 
1 1 1   48   20    3 f   8.2870   2.1860 -4.717000 4.373000 
1 1 1   48   20    4 o   11.080   2.3710 2.047000 4.742000 
1 1 1   48   20    5 o   12.330   2.2780 1.517000 4.556000 
1 1 1   48   20    6 o   11.070   2.2450 -4.906000 4.491000 
1 1 1   48   20    7 o   9.7690   2.2530 -4.554000 4.505000 
1 1 1   48   20    8 o   7.6740   2.2230 1.222000 4.446000 
1 1 1   48   20    9 o   11.390   2.1880 4.438000 4.377000 
1 1 1   48   20   10 f   7.3340   2.1630 -0.9755000 4.326000 
1 1 1   48   20   11 o   6.8070   2.0710 2.144000 4.143000 
1 1 1   48   20   12 o   10.280   2.1380 5.885000 4.276000 
1 1 1   48   20   13 o   9.2280   2.2660 1.935000 4.531000 
1 1 1   48   20   14 o   7.5520   1.9900 -4.881000 3.980000 
1 1 1   48   21    0 o   5.8870   2.7550 -0.000000 0.000000 
1 1 1   48   21    1 o   7.1620   2.1580 -2.340000 4.315000 
1 1 1   48   21    2 o   9.7130   2.2960 3.981000 4.592000 
1 1 1   48   21    3 o   6.3760   2.0500 -0.4056000 4.100000 
1 1 1   48   21    4 o   7.4430   2.2200 0.5545000 4.440000 
1 1 1   48   21    5 o   10.820   2.1560 -6.229000 4.312000 
1 1 1   48   21    6 o   9.3540   2.1110 6.115000 4.222000 
1 1 1   48   21    7 o   8.9810   2.2280 3.604000 4.457000 
1 1 1   48   21    8 o   7.1680   2.1340 1.070000 4.268000 
1 1 1   48   21    9 o   8.4940   2.1800 3.500000 4.359000 
1 1 1   48   21   10 o   6.6470   2.0280 1.836000 4.055000 
1 1 1   48   21   11 o   9.9370   2.6450 -2.812000 5.291000 
1 1 1   48   22    0 o   9.2300   3.3180 -0.000000 0.000000 
1 1 1   48   22    1 o   15.300   1.8720 -0.6938000 3.743000 
1 1 1   48   22    2 o   7.2580   2.1480 -2.274000 4.297000 
1 1 1   48   22    3 o   8.1480   2.0640 5.562000 4.128000 
1 1 1   48   22    4 o   7.7320   2.1490 3.144000 4.299000 
1 1 1   48   22    5 o   6.5830   2.0820 1.385000 4.163000 
1 1 1   49    0    1 o   40.290   0.7942 -0.000000 0.000000 
1 1 1   49    0    2 o   22.600   0.9702 -0.000000 0.000000 
1 1 1   49    0    3 o   6.3900   2.3140 -0.000000 0.000000 
1 1 1   49    0    4 o   9.6640   2.0040 -0.000000 0.000000 
1 1 1   49    0    5 o   27.030   0.8245 -0.000000 0.000000 
1 1 1   49    0    6 f   5.3230   2.2110 -0.000000 0.000000 
1 1 1   49    0    7 o   5.0940   2.1470 -0.000000 0.000000 
1 1 1   49    0    8 o   31.560   0.8219 -0.000000 0.000000 
1 1 1   49    0    9 o   18.730   1.1940 -0.000000 0.000000 
1 1 1   49    0   10 o   24.300   0.9499 -0.000000 0.000000 
1 1 1   49    0   11 o   5.2510   2.2510 -0.000000 0.000000 
1 1 1   49    0   12 o   14.660   1.4340 -0.000000 0.000000 
1 1 1   49    0   13 f   26.420   0.9068 -0.000000 0.000000 
1 1 1   49    0   14 o   54.640   0.9374 -0.000000 0.000000 
1 1 1   49    0   15 o   16.910   1.3410 -0.000000 0.000000 
1 1 1   49    0   16 o   34.670   0.8649 -0.000000 0.000000 
1 1 1   49    0   18 o   23.160   1.0470 -0.000000 0.000000 
1 1 1   49    0   19 o   35.700   0.8689 -0.000000 0.000000 
1 1 1   49    0   20 o   5.1020   2.2800 -0.000000 0.000000 
1 1 1   49    0   21 o   12.750   2.0000 -0.000000 0.000000 
1 1 1   49    0   22 o   8.1060   2.6500 -0.000000 0.000000 
1 1 1   49    0   23 o   9.5070   2.5830 -0.000000 0.000000 
1 1 1   49    0   24 f   28.840   1.0310 -0.000000 0.000000 
1 1 1   49    0   25 o   7.5000   2.6990 -0.000000 0.000000 
1 1 1   49    0   26 o   12.430   2.2250 -0.000000 0.000000 
1 1 1   49    0   27 o   12.840   2.1050 -0.000000 0.000000 
1 1 1   49    0   28 o   4.8920   2.2560 -0.000000 0.000000 
1 1 1   49    0   29 o   31.320   0.9523 -0.000000 0.000000 
1 1 1   49    0   30 o   8.0990   2.5510 -0.000000 0.000000 
1 1 1   49    0   31 o   9.1210   2.2770 -0.000000 0.000000 
1 1 1   49    0   32 o   6.9860   2.3330 -0.000000 0.000000 
1 1 1   49    1    0 f   31.840   0.6205 -0.000000 0.000000 
1 1 1   49    1    1 o   21.070   0.5354 1.843000 1.071000 
1 1 1   49    1    2 o   27.340   0.4589 -0.7195000E-02 0.9179000 
1 1 1   49    1    3 o   49.670   0.4866 -1.505000 0.9733000 
1 1 1   49    1    4 o   26.080   0.4690 -0.2443000 0.9380000 
1 1 1   49    1    5 o   8.9820   1.1590 1.138000 2.317000 
1 1 1   49    1    6 o   33.650   0.4437 4.719000 0.8873000 
1 1 1   49    1    7 o   31.030   0.4421 2.994000 0.8842000 
1 1 1   49    1    8 o   25.150   0.4822 -3.154000 0.9644000 
1 1 1   49    1    9 o   37.250   0.4528 -1.796000 0.9056000 
1 1 1   49    1   10 o   20.600   0.5901 5.185000 1.180000 
1 1 1   49    1   11 o   60.520   0.5635 -4.579000 1.127000 
1 1 1   49    1   12 o   23.540   0.5210 -0.5818000 1.042000 
1 1 1   49    1   13 o   49.010   0.5572 -1.377000 1.114000 
1 1 1   49    1   14 o   31.800   0.5284 2.641000 1.057000 
1 1 1   49    1   15 o   47.300   0.5526 -1.548000 1.105000 
1 1 1   49    1   16 f   15.170   0.9266 2.861000 1.853000 
1 1 1   49    1   17 o   16.450   0.8554 0.1902000 1.711000 
1 1 1   49    1   18 o   21.230   0.8166      ?      ? 
1 1 1   49    1   19 o   16.090   0.9164 1.086000 1.833000 
1 1 1   49    1   20 o   18.070   0.9954 2.088000 1.991000 
1 1 1   49    1   21 o   18.240   0.9981 -0.5015000E-01 1.996000 
1 1 1   49    1   22 o   28.180   0.7350 -2.681000 1.470000 
1 1 1   49    1   23 o   7.5940   1.9030 0.4403000 3.806000 
1 1 1   49    1   24 o   24.990   0.8106 0.5075000 1.621000 
1 1 1   49    1   25 o   14.340   1.4140 3.605000 2.828000 
1 1 1   49    1   26 o   23.580   0.8857 0.8946000 1.771000 
1 1 1   49    1   27 o   5.7000   1.7370 -1.404000 3.474000 
1 1 1   49    1   28 o   9.2000   1.8250 2.982000 3.651000 
1 1 1   49    1   29 o   23.820   0.7835 -1.654000 1.567000 
1 1 1   49    1   30 o   18.460   0.9350 3.349000 1.870000 
1 1 1   49    1   31 o   6.9630   1.7280 -0.3556000 3.456000 
1 1 1   49    1   32 o   11.180   1.2200 -2.588000 2.440000 
1 1 1   49    2    0 o   50.260   0.8598 -0.000000 0.000000 
1 1 1   49    2    1 o   8.5680   1.4720 -1.446000 2.944000 
1 1 1   49    2    2 o   54.440   0.6326 2.828000 1.265000 
1 1 1   49    2    3 o   39.830   0.5412 0.5176000 1.082000 
1 1 1   49    2    4 o   32.340   0.5308 0.1678000 1.062000 
1 1 1   49    2    5 o   19.670   0.6754 -1.040000 1.351000 
1 1 1   49    2    6 o   22.980   0.8585      ?      ? 
1 1 1   49    2    7 o   35.460   0.5360 -4.626000 1.072000 
1 1 1   49    2    8 o   26.600   0.5767 1.672000 1.153000 
1 1 1   49    2    9 o   13.150   1.0200 -2.379000 2.040000 
1 1 1   49    2   10 o   38.290   0.5102 -6.096000 1.020000 
1 1 1   49    2   11 o   21.950   0.6079 -0.9347000 1.216000 
1 1 1   49    2   12 o   43.390   0.5223 -2.702000 1.045000 
1 1 1   49    2   13 o   29.170   0.5169 -3.034000 1.034000 
1 1 1   49    2   14 o   16.050   0.8075 -0.6744000E-01 1.615000 
1 1 1   49    2   15 o   49.610   0.5652 -1.899000 1.130000 
1 1 1   49    2   16 o   24.130   0.6065 -0.6604000 1.213000 
1 1 1   49    2   17 o   24.870   0.5563 -0.8257000 1.113000 
1 1 1   49    2   18 o   39.820   0.4935 -1.099000 0.9869000 
1 1 1   49    2   19 o   10.860   1.5170 0.6362000 3.034000 
1 1 1   49    2   20 o   46.430   0.5218 2.267000 1.044000 
1 1 1   49    2   21 o   6.3300   1.4220 4.491000 2.844000 
1 1 1   49    2   22 o   37.220   0.5827 1.751000 1.165000 
1 1 1   49    2   23 o   13.180   1.3870 4.471000 2.774000 
1 1 1   49    2   24 o   4.4610   1.4670 -0.3415000 2.934000 
1 1 1   49    2   25 o   8.5420   1.5930 4.660000 3.186000 
1 1 1   49    2   26 o   12.230   1.4660 0.7515000 2.932000 
1 1 1   49    2   27 o   13.130   1.3210 0.1679000 2.643000 
1 1 1   49    2   28 o   8.5510   1.9330 0.5417000 3.865000 
1 1 1   49    2   29 o   5.9330   1.7440 1.744000 3.488000 
1 1 1   49    2   30 o   20.090   0.8841 0.6768000 1.768000 
1 1 1   49    2   31 o   12.230   1.2260 -0.4497000 2.452000 
1 1 1   49    3    0 o   33.550   0.7727 -0.000000 0.000000 
1 1 1   49    3    1 o   15.020   0.9070 -4.853000 1.814000 
1 1 1   49    3    2 o   57.450   0.6564 1.307000 1.313000 
1 1 1   49    3    3 o   23.860   0.6005 -1.011000 1.201000 
1 1 1   49    3    4 o   82.970   0.8908 -1.105000 1.782000 
1 1 1   49    3    5 o   23.930   0.5910 3.558000 1.182000 
1 1 1   49    3    6 o   41.000   0.5529 2.283000 1.106000 
1 1 1   49    3    7 o   25.260   0.5981 4.580000 1.196000 
1 1 1   49    3    8 o   33.550   0.5424 -3.402000 1.085000 
1 1 1   49    3    9 o   18.340   0.8007 4.868000 1.601000 
1 1 1   49    3   10 o   32.210   0.5508 -2.823000 1.102000 
1 1 1   49    3   11 o   46.900   0.5912 -0.5669000E-01 1.182000 
1 1 1   49    3   12 o   21.420   0.6863 1.466000 1.373000 
1 1 1   49    3   13 o   22.550   0.6705 -0.5950000E-01 1.341000 
1 1 1   49    3   14 o   24.180   0.6749 5.412000 1.350000 
1 1 1   49    3   15 o   25.470   0.6418 -0.7794000 1.284000 
1 1 1   49    3   16 o   22.110   0.6966 -2.606000 1.393000 
1 1 1   49    3   17 o   8.4500   1.6680 -3.086000 3.335000 
1 1 1   49    3   18 o   20.700   0.7999 -1.989000 1.600000 
1 1 1   49    3   19 o   19.340   0.8195 -0.3571000 1.639000 
1 1 1   49    3   20 o   10.140   1.5740 -1.136000 3.148000 
1 1 1   49    3   21 o   11.870   1.4220 0.6381000 2.844000 
1 1 1   49    3   22 o   10.400   1.6360 -1.669000 3.271000 
1 1 1   49    3   23 o   5.7290   1.6500 -4.027000 3.300000 
1 1 1   49    3   24 o   33.620   0.6504 4.620000 1.301000 
1 1 1   49    3   25 o   19.950   0.9213 -0.1178000 1.843000 
1 1 1   49    3   26 o   36.900   0.5615 -1.966000 1.123000 
1 1 1   49    3   27 o   14.670   1.2530 1.264000 2.505000 
1 1 1   49    3   28 o   23.580   0.7621 -1.563000 1.524000 
1 1 1   49    3   29 f   10.220   1.5260 -1.102000 3.053000 
1 1 1   49    3   30 o   7.8970   1.8790      ?      ? 
1 1 1   49    3   31 o   12.160   1.2410 1.818000 2.482000 
1 1 1   49    4    0 o   46.880   0.8433 -0.000000 0.000000 
1 1 1   49    4    1 o   53.020   0.6292 1.186000 1.258000 
1 1 1   49    4    2 o   46.170   0.5876 0.5485000 1.175000 
1 1 1   49    4    3 o   75.720   0.8239 -4.048000 1.648000 
1 1 1   49    4    4 o   33.800   0.5597 0.7131000 1.119000 
1 1 1   49    4    5 o   36.410   0.5566 -2.825000 1.113000 
1 1 1   49    4    6 o   34.150   0.5474 -1.783000 1.095000 
1 1 1   49    4    7 o   55.400   0.6479 -2.132000 1.296000 
1 1 1   49    4    8 o   27.060   0.8119      ?      ? 
1 1 1   49    4    9 o   22.150   0.6714 -4.953000 1.343000 
1 1 1   49    4   10 o   75.970   0.8275 -0.4693000 1.655000 
1 1 1   49    4   11 o   14.190   1.0310 0.1369000 2.063000 
1 1 1   49    4   12 o   30.480   0.5800 -0.5468000 1.160000 
1 1 1   49    4   13 f   26.120   0.6424 0.3612000 1.285000 
1 1 1   49    4   14 o   31.290   0.6034 -0.4858000 1.207000 
1 1 1   49    4   15 o   25.080   0.6835 0.2269000E-01 1.367000 
1 1 1   49    4   16 o   34.040   0.6084 -1.511000 1.217000 
1 1 1   49    4   17 o   28.720   0.6502 -2.272000 1.300000 
1 1 1   49    4   18 o   15.670   1.0600 -1.602000 2.120000 
1 1 1   49    4   19 o   37.510   0.6320 -2.045000 1.264000 
1 1 1   49    4   20 o   22.530   0.8294 -0.9039000 1.659000 
1 1 1   49    4   21 o   39.310   0.6560 -3.719000 1.312000 
1 1 1   49    4   22 o   21.250   0.9037 -1.901000 1.807000 
1 1 1   49    4   23 o   59.540   0.7352 -0.2995000 1.470000 
1 1 1   49    4   24 o   7.6010   1.8920 2.637000 3.784000 
1 1 1   49    4   25 o   22.410   0.8530 -0.5418000 1.706000 
1 1 1   49    4   26 o   10.150   1.7980 2.994000 3.596000 
1 1 1   49    4   27 o   14.310   1.2700 -1.737000 2.540000 
1 1 1   49    4   28 o   12.530   1.5760 5.680000 3.152000 
1 1 1   49    4   29 o   8.6030   1.6790 2.344000 3.358000 
1 1 1   49    4   30 f   8.7200   1.7450 -2.901000 3.489000 
1 1 1   49    4   31 f   10.170   1.6890 2.362000 3.378000 
1 1 1   49    5    0 o   5.3580   2.2280 -0.000000 0.000000 
1 1 1   49    5    1 o   21.710   0.6938 -2.875000 1.388000 
1 1 1   49    5    2 o   13.890   1.0450 -0.2309000 2.090000 
1 1 1   49    5    3 o   36.370   0.5628 4.289000 1.126000 
1 1 1   49    5    4 o   38.090   0.5712 -6.091000 1.142000 
1 1 1   49    5    5 o   26.320   0.6135 2.216000 1.227000 
1 1 1   49    5    6 f   21.700   0.7009 -1.040000 1.402000 
1 1 1   49    5    7 o   50.100   0.6194 0.9950000 1.239000 
1 1 1   49    5    8 o   21.630   0.7031 -0.2706000 1.406000 
1 1 1   49    5    9 o   36.220   0.5769 -1.148000 1.154000 
1 1 1   49    5   10 o   11.300   1.8960      ?      ? 
1 1 1   49    5   11 o   29.400   0.5989 0.2001000 1.198000 
1 1 1   49    5   12 o   32.910   0.5921 0.7963000 1.184000 
1 1 1   49    5   13 o   55.450   0.6626 1.622000 1.325000 
1 1 1   49    5   14 o   27.180   0.6613 0.4445000 1.323000 
1 1 1   49    5   15 o   17.470   0.9815 -5.164000 1.963000 
1 1 1   49    5   16 o   21.210   0.8413 0.2343000E-01 1.683000 
1 1 1   49    5   17 o   10.840   1.6560 -0.1508000 3.312000 
1 1 1   49    5   18 o   31.080   0.6794 -1.901000 1.359000 
1 1 1   49    5   19 o   58.640   0.7137 -2.161000 1.427000 
1 1 1   49    5   20 o   7.9520   1.9410 0.1873000 3.882000 
1 1 1   49    5   21 o   22.700   0.9330 2.023000 1.866000 
1 1 1   49    5   22 o   12.500   1.6470 -4.066000 3.295000 
1 1 1   49    5   23 o   8.6180   1.8880 3.615000 3.776000 
1 1 1   49    5   24 o   13.270   1.6200 0.1328000 3.240000 
1 1 1   49    5   25 o   10.780   1.8030 5.883000 3.606000 
1 1 1   49    5   26 o   32.800   0.6891 -1.962000 1.378000 
1 1 1   49    5   27 o   6.8430   1.9030 -2.148000 3.805000 
1 1 1   49    5   28 o   8.3590   1.8280 -5.901000 3.656000 
1 1 1   49    5   29 o   14.770   1.2890 0.1919000E-01 2.578000 
1 1 1   49    5   30 o   9.3870   1.7230 -0.6265000 3.447000 
1 1 1   49    5   31 o   14.530   1.0900 -1.795000 2.179000 
1 1 1   49    6    0 o   49.020   0.8754 -0.000000 0.000000 
1 1 1   49    6    1 o   9.0190   1.5770 -4.003000 3.154000 
1 1 1   49    6    2 o   47.080   0.6092 -1.201000 1.218000 
1 1 1   49    6    3 o   48.540   0.6205 -1.463000 1.241000 
1 1 1   49    6    4 o   24.560   0.6689 -1.240000 1.338000 
1 1 1   49    6    5 o   65.320   0.7392 0.1973000 1.478000 
1 1 1   49    6    6 o   32.100   0.5968 1.443000 1.194000 
1 1 1   49    6    7 o   36.630   0.5815 -1.409000 1.163000 
1 1 1   49    6    8 o   23.010   0.7011 0.3850000E-01 1.402000 
1 1 1   49    6    9 o   17.730   0.8753 -1.731000 1.751000 
1 1 1   49    6   10 o   31.550   0.6060 2.023000 1.212000 
1 1 1   49    6   11 o   50.250   0.6336 -0.8888000 1.267000 
1 1 1   49    6   12 o   28.820   0.6566 2.181000 1.313000 
1 1 1   49    6   13 o   68.690   0.7752 -0.6612000 1.550000 
1 1 1   49    6   14 f   8.3100   1.7990 -1.569000 3.599000 
1 1 1   49    6   15 o   40.560   0.6306 0.4016000 1.261000 
1 1 1   49    6   16 o   22.160   0.8654 -0.6211000 1.731000 
1 1 1   49    6   17 o   11.700   1.6100 2.885000 3.221000 
1 1 1   49    6   18 o   14.400   1.3610 -3.107000 2.721000 
1 1 1   49    6   19 o   22.490   0.9204 1.746000 1.841000 
1 1 1   49    6   20 o   13.030   1.6180 0.2748000 3.237000 
1 1 1   49    6   21 o   17.560   1.2230 -4.876000 2.445000 
1 1 1   49    6   22 o   11.090   1.8790 -6.248000 3.759000 
1 1 1   49    6   23 o   10.630   1.8870 -0.4021000 3.774000 
1 1 1   49    6   24 o   9.7150   1.9330 1.624000 3.866000 
1 1 1   49    6   25 o   16.790   1.2310 -1.289000 2.462000 
1 1 1   49    6   26 f   16.930   1.2170 0.8625000 2.433000 
1 1 1   49    6   27 o   12.510   1.6500 -1.275000 3.300000 
1 1 1   49    6   28 f   6.1680   1.7680 1.455000 3.536000 
1 1 1   49    6   29 o   8.9110   1.9250 -1.858000 3.849000 
1 1 1   49    6   30 o   7.0480   1.8530 -0.2198000 3.707000 
1 1 1   49    7    0 o   47.780   0.8831 -0.000000 0.000000 
1 1 1   49    7    1 o   33.120   0.6142 1.777000 1.228000 
1 1 1   49    7    2 o   15.760   1.0160 0.9246000 2.033000 
1 1 1   49    7    3 o   25.290   0.6939 4.382000 1.388000 
1 1 1   49    7    4 o   64.610   0.7407 2.846000 1.481000 
1 1 1   49    7    5 o   17.100   0.9711 -0.2269000 1.942000 
1 1 1   49    7    6 o   33.190   0.6143 4.638000 1.229000 
1 1 1   49    7    7 o   26.530   0.6839 0.5855000 1.368000 
1 1 1   49    7    8 o   30.700   0.6382 -2.622000 1.276000 
1 1 1   49    7    9 o   37.540   0.6080 -2.256000 1.216000 
1 1 1   49    7   10 o   28.290   0.6708 1.154000 1.342000 
1 1 1   49    7   11 o   42.120   0.6248 0.5825000 1.250000 
1 1 1   49    7   12 o   77.150   0.8570 2.898000 1.714000 
1 1 1   49    7   13 o   20.360   0.9108 0.7797000 1.822000 
1 1 1   49    7   14 o   24.090   0.8218 -4.216000 1.644000 
1 1 1   49    7   15 o   26.980   0.7643 0.5595000 1.529000 
1 1 1   49    7   16 o   28.030   0.7644 3.513000 1.529000 
1 1 1   49    7   17 o   17.350   1.2180 -3.730000 2.435000 
1 1 1   49    7   18 o   32.890   0.7299 1.984000 1.460000 
1 1 1   49    7   19 f   13.230   1.7170 -5.851000 3.434000 
1 1 1   49    7   20 o   16.240   1.3960 -2.824000 2.793000 
1 1 1   49    7   21 o   30.420   0.7623 1.194000 1.525000 
1 1 1   49    7   22 o   12.040   1.7890 -2.813000 3.578000 
1 1 1   49    7   23 o   32.000   0.7575 -3.311000 1.515000 
1 1 1   49    7   24 o   17.800   1.2970 2.848000 2.594000 
1 1 1   49    7   25 o   6.5740   1.8340 2.387000 3.668000 
1 1 1   49    7   26 f   16.080   1.3810 -1.422000 2.763000 
1 1 1   49    7   27 o   6.8820   1.8140 3.147000 3.627000 
1 1 1   49    7   28 f   7.4710   1.9750 -1.174000 3.951000 
1 1 1   49    7   29 o   10.170   1.8910 1.462000 3.783000 
1 1 1   49    7   30 o   13.040   1.6010 6.639000 3.203000 
1 1 1   49    8    0 o   20.470   1.1790 -0.000000 0.000000 
1 1 1   49    8    1 o   21.070   0.8959 -8.298000 1.792000 
1 1 1   49    8    2 o   34.830   0.6412 -3.232000 1.282000 
1 1 1   49    8    3 o   53.700   0.6719 -2.716000 1.344000 
1 1 1   49    8    4 o   42.210   0.6243 0.3491000 1.249000 
1 1 1   49    8    5 o   74.990   0.8367 -0.3630000 1.673000 
1 1 1   49    8    6 o   36.390   0.6378 -1.896000 1.276000 
1 1 1   49    8    7 o   39.810   0.6283 -1.184000 1.257000 
1 1 1   49    8    8 o   17.030   1.0400 -0.2163000E-01 2.081000 
1 1 1   49    8    9 o   27.060   0.7170 -3.468000 1.434000 
1 1 1   49    8   10 o   10.680   1.6560 -3.446000 3.311000 
1 1 1   49    8   11 o   75.960   0.8501 2.791000 1.700000 
1 1 1   49    8   12 o   27.540   0.7487 1.560000 1.497000 
1 1 1   49    8   13 o   19.890   0.9869 1.292000 1.974000 
1 1 1   49    8   14 o   26.180   0.8235 1.335000 1.647000 
1 1 1   49    8   15 o   32.250   0.7314 -1.134000 1.463000 
1 1 1   49    8   16 f   35.050   0.7213 -0.9922000 1.443000 
1 1 1   49    8   17 o   18.550   1.1870 1.733000 2.374000 
1 1 1   49    8   18 o   17.770   1.2370 -0.7522000 2.475000 
1 1 1   49    8   19 o   58.060   0.6851 0.8446000 1.370000 
1 1 1   49    8   20 o   49.330   0.6665 -1.397000 1.333000 
1 1 1   49    8   21 o   6.5030   1.9370 0.1757000 3.875000 
1 1 1   49    8   22 o   7.0180   2.0050 0.6024000 4.011000 
1 1 1   49    8   23 o   11.000   2.0110 -2.497000 4.023000 
1 1 1   49    8   24 o   12.020   1.8710 3.920000 3.743000 
1 1 1   49    8   25 o   9.1590   1.7180 -9.087000 3.436000 
1 1 1   49    8   26 o   7.5170   1.8720 3.662000 3.744000 
1 1 1   49    8   27 o   11.690   1.7650 6.334000 3.529000 
1 1 1   49    8   28 o   7.1050   1.8980 1.476000 3.795000 
1 1 1   49    8   29 o   6.1270   1.8420 -1.393000 3.684000 
1 1 1   49    9    0 o   8.9840   2.6270 -0.000000 0.000000 
1 1 1   49    9    1 o   22.900   0.8316 3.483000 1.663000 
1 1 1   49    9    2 o   46.580   0.6577 -4.273000 1.315000 
1 1 1   49    9    3 o   22.190   0.8810 2.565000 1.762000 
1 1 1   49    9    4 o   39.560   0.6573 3.214000 1.315000 
1 1 1   49    9    5 o   44.110   0.6557 2.967000 1.311000 
1 1 1   49    9    6 o   38.710   0.6627 -3.891000 1.325000 
1 1 1   49    9    7 o   57.370   0.7071 1.868000 1.414000 
1 1 1   49    9    8 o   18.850   1.0220 -3.755000 2.044000 
1 1 1   49    9    9 o   42.410   0.6616 0.1543000 1.323000 
1 1 1   49    9   10 o   26.590   0.8058 -2.862000 1.612000 
1 1 1   49    9   11 o   35.580   0.6825 2.362000 1.365000 
1 1 1   49    9   12 o   18.970   1.1070 2.187000 2.215000 
1 1 1   49    9   13 o   21.150   1.0300 2.902000 2.060000 
1 1 1   49    9   14 o   25.440   0.9076 -5.250000 1.815000 
1 1 1   49    9   15 o   30.450   0.8002 1.853000 1.600000 
1 1 1   49    9   16 o   21.730   0.9701 -1.549000 1.940000 
1 1 1   49    9   17 o   42.230   0.6648 -0.7508000 1.330000 
1 1 1   49    9   18 o   51.730   0.6714 -0.4177000E-02 1.343000 
1 1 1   49    9   19 o   11.290   1.9100 2.626000 3.820000 
1 1 1   49    9   20 o   22.910   1.0130 -1.282000 2.026000 
1 1 1   49    9   21 o   8.6480   2.1560 -0.7928000 4.312000 
1 1 1   49    9   22 o   13.230   1.8450 -2.107000 3.691000 
1 1 1   49    9   23 o   6.8010   2.0030 -0.6511000 4.007000 
1 1 1   49    9   24 o   8.4620   2.1380 -1.007000 4.275000 
1 1 1   49    9   25 o   20.370   1.1600 0.7804000E-01 2.320000 
1 1 1   49    9   26 o   18.390   1.2550 0.5665000 2.511000 
1 1 1   49    9   27 o   10.280   2.0310 -1.413000 4.062000 
1 1 1   49    9   28 o   8.1660   2.0300 -4.094000 4.061000 
1 1 1   49    9   29 o   10.730   1.9000 -1.855000 3.799000 
1 1 1   49   10    0 o   18.550   1.5370 -0.000000 0.000000 
1 1 1   49   10    1 o   17.890   1.1340 0.1935000E-01 2.267000 
1 1 1   49   10    2 o   37.440   0.6747 3.291000 1.349000 
1 1 1   49   10    3 o   10.520   1.6340 -7.914000 3.268000 
1 1 1   49   10    4 o   17.220   1.1470 0.9899000 2.293000 
1 1 1   49   10    5 o   21.640   0.9427 0.9315000 1.885000 
1 1 1   49   10    6 o   41.950   0.6732 -0.9855000 1.346000 
1 1 1   49   10    7 o   47.320   0.6821 -0.9028000 1.364000 
1 1 1   49   10    8 o   40.680   0.6762 -2.201000 1.352000 
1 1 1   49   10    9 o   8.4860   1.9230 -3.681000 3.846000 
1 1 1   49   10   10 o   27.700   0.8205 3.308000 1.641000 
1 1 1   49   10   11 o   14.630   1.5020 2.041000 3.004000 
1 1 1   49   10   12 o   24.460   0.9304 -0.2957000 1.861000 
1 1 1   49   10   13 o   16.210   1.3020 0.9382000E-01 2.603000 
1 1 1   49   10   14 o   50.880   0.6624 0.8657000 1.325000 
1 1 1   49   10   15 o   43.290   0.6781 -2.505000 1.356000 
1 1 1   49   10   16 o   34.610   0.7498 -0.6116000 1.500000 
1 1 1   49   10   17 o   25.910   0.9307 3.013000 1.861000 
1 1 1   49   10   18 o   27.850   0.8676 0.1978000 1.735000 
1 1 1   49   10   19 o   7.9040   1.9980 -4.843000 3.996000 
1 1 1   49   10   20 o   8.7370   2.1250 -4.376000 4.250000 
1 1 1   49   10   21 f   13.150   1.8800 -3.568000 3.761000 
1 1 1   49   10   22 o   9.1260   2.1100 2.948000 4.221000 
1 1 1   49   10   23 o   10.420   2.1390 -2.116000 4.278000 
1 1 1   49   10   24 o   28.270   0.9062 0.4114000 1.812000 
1 1 1   49   10   25 o   19.570   1.2480 3.865000 2.496000 
1 1 1   49   10   26 o   6.3450   1.9240 -2.165000 3.848000 
1 1 1   49   10   27 o   6.5420   1.9440 0.5073000 3.888000 
1 1 1   49   10   28 o   8.7990   2.0980 -2.655000 4.196000 
1 1 1   49   11    0 o   16.720   1.8470 -0.000000 0.000000 
1 1 1   49   11    1 o   9.4040   2.0060 -0.5030000 4.013000 
1 1 1   49   11    2 o   55.560   0.7215 2.517000 1.443000 
1 1 1   49   11    3 o   43.110   0.7110 -0.4530000E-01 1.422000 
1 1 1   49   11    4 o   15.980   1.3540 -2.473000 2.707000 
1 1 1   49   11    5 o   16.540   1.3690 -1.743000 2.737000 
1 1 1   49   11    6 o   49.010   0.7048 1.067000 1.410000 
1 1 1   49   11    7 o   15.680   1.3770 0.8171000 2.753000 
1 1 1   49   11    8 o   38.950   0.7250 0.4683000E-01 1.450000 
1 1 1   49   11    9 o   12.570   1.8110 5.029000 3.622000 
1 1 1   49   11   10 o   16.170   1.3000 0.4166000 2.600000 
1 1 1   49   11   11 o   32.360   0.7435 -4.825000 1.487000 
1 1 1   49   11   12 o   28.100   0.8362 0.3376000 1.672000 
1 1 1   49   11   13 o   37.240   0.7004 -0.6835000 1.401000 
1 1 1   49   11   14 o   26.990   0.8848 -0.8938000 1.770000 
1 1 1   49   11   15 o   26.650   0.9009 -0.6601000 1.802000 
1 1 1   49   11   16 o   39.470   0.7431 1.273000 1.486000 
1 1 1   49   11   17 o   15.100   1.6370 -1.262000 3.275000 
1 1 1   49   11   18 o   11.050   2.1190 -0.7204000 4.238000 
1 1 1   49   11   19 f   19.220   1.3240 -3.232000 2.647000 
1 1 1   49   11   20 o   8.9320   2.1980 -2.516000 4.395000 
1 1 1   49   11   21 o   11.150   2.1200 1.793000 4.241000 
1 1 1   49   11   22 o   10.050   1.7910 8.499000 3.582000 
1 1 1   49   11   23 o   25.230   1.0170 0.2408000 2.034000 
1 1 1   49   11   24 o   7.9870   1.9380 4.979000 3.877000 
1 1 1   49   11   25 o   10.830   2.1100 0.1404000 4.220000 
1 1 1   49   11   26 o   7.8600   2.0490 -4.371000 4.097000 
1 1 1   49   11   27 o   8.6780   1.9060 5.241000 3.812000 
1 1 1   49   12    0 o   19.860   1.5770 -0.000000 0.000000 
1 1 1   49   12    1 o   5.5860   1.7800 -1.061000 3.560000 
1 1 1   49   12    2 o   6.4770   1.9380 -0.4776000 3.876000 
1 1 1   49   12    3 o   16.010   1.4670 1.209000 2.935000 
1 1 1   49   12    4 o   18.100   1.2900 1.578000 2.581000 
1 1 1   49   12    5 o   28.580   0.8821 0.2852000 1.764000 
1 1 1   49   12    6 o   10.160   1.9530 -5.550000 3.906000 
1 1 1   49   12    7 o   23.240   0.9734 5.135000 1.947000 
1 1 1   49   12    8 o   13.090   1.7440 5.846000 3.488000 
1 1 1   49   12    9 o   34.580   0.7527 1.472000 1.505000 
1 1 1   49   12   10 o   28.400   0.8642 -2.358000 1.728000 
1 1 1   49   12   11 o   24.640   0.9850 -3.990000 1.970000 
1 1 1   49   12   12 o   6.5290   1.9850 -1.133000 3.970000 
1 1 1   49   12   13 o   9.6860   2.1830 -2.351000 4.366000 
1 1 1   49   12   14 o   34.180   0.8172 1.462000 1.634000 
1 1 1   49   12   15 o   37.360   0.7860 -3.429000 1.572000 
1 1 1   49   12   16 o   7.7930   1.9890 4.499000 3.978000 
1 1 1   49   12   17 o   25.130   1.0630 -0.8245000E-01 2.126000 
1 1 1   49   12   18 o   22.650   1.1800 -2.706000 2.360000 
1 1 1   49   12   19 o   10.270   2.1420 4.545000 4.284000 
1 1 1   49   12   20 o   9.8840   2.1700 3.683000 4.340000 
1 1 1   49   12   21 o   7.4920   2.1400 -3.224000 4.279000 
1 1 1   49   12   22 o   10.190   2.2360 -2.266000 4.472000 
1 1 1   49   12   23 o   15.830   1.6740 -3.610000 3.349000 
1 1 1   49   12   24 o   10.620   2.1700 -2.553000 4.340000 
1 1 1   49   12   25 o   7.7440   2.0570 2.412000 4.114000 
1 1 1   49   12   26 o   9.0190   2.1140 -3.669000 4.227000 
1 1 1   49   12   27 o   8.9010   2.5230 2.609000 5.046000 
1 1 1   49   13    0 o   5.3320   2.5080 -0.000000 0.000000 
1 1 1   49   13    1 o   7.7770   2.1230 0.4307000 4.245000 
1 1 1   49   13    2 o   10.110   2.1140 2.170000 4.229000 
1 1 1   49   13    3 o   8.9990   1.8650 5.571000 3.730000 
1 1 1   49   13    4 o   29.710   0.8401 1.845000 1.680000 
1 1 1   49   13    5 o   26.640   0.9124 -2.322000 1.825000 
1 1 1   49   13    6 o   21.320   1.1110 -0.1759000 2.222000 
1 1 1   49   13    7 f   27.150   0.9098 0.3438000 1.820000 
1 1 1   49   13    8 o   27.410   0.9345 3.057000 1.869000 
1 1 1   49   13    9 o   7.5590   2.0600 2.014000 4.121000 
1 1 1   49   13   10 o   14.960   1.6700 -1.016000 3.341000 
1 1 1   49   13   11 o   30.750   0.8750 3.129000 1.750000 
1 1 1   49   13   12 f   19.940   1.3270 1.115000 2.654000 
1 1 1   49   13   13 o   22.570   1.4400 -2.549000 2.880000 
1 1 1   49   13   14 o   7.8330   2.1860 0.8958000 4.371000 
1 1 1   49   13   15 o   26.570   1.0420 -1.911000 2.084000 
1 1 1   49   13   16 o   44.430   0.7723 0.9875000 1.545000 
1 1 1   49   13   17 o   13.980   2.0160 3.040000 4.033000 
1 1 1   49   13   18 o   12.860   2.1060 4.132000 4.213000 
1 1 1   49   13   19 f   13.910   1.9800 1.951000 3.961000 
1 1 1   49   13   20 o   9.6680   2.0610 5.540000 4.122000 
1 1 1   49   13   21 o   22.190   1.1950 -3.277000 2.389000 
1 1 1   49   13   22 o   11.760   2.1140 3.475000 4.228000 
1 1 1   49   13   23 o   7.2240   2.0830 1.938000 4.165000 
1 1 1   49   13   24 o   7.9840   2.0870 3.048000 4.175000 
1 1 1   49   13   25 o   8.2700   2.1300 1.459000 4.260000 
1 1 1   49   13   26 f   8.0690   2.4380 -2.048000 4.877000 
1 1 1   49   14    0 o   33.920   1.0380 -0.000000 0.000000 
1 1 1   49   14    1 o   34.180   0.7365 1.544000 1.473000 
1 1 1   49   14    2 o   8.9440   1.9920 -4.171000 3.984000 
1 1 1   49   14    3 o   35.120   0.7918 -0.3365000 1.584000 
1 1 1   49   14    4 o   18.600   1.3480 -2.157000 2.695000 
1 1 1   49   14    5 o   25.840   1.0300 1.777000 2.060000 
1 1 1   49   14    6 o   21.790   1.1780 -2.704000 2.356000 
1 1 1   49   14    7 o   15.950   1.6720 3.315000 3.344000 
1 1 1   49   14    8 o   17.610   1.4570 -1.119000 2.914000 
1 1 1   49   14    9 o   7.8830   2.0520 -5.180000 4.105000 
1 1 1   49   14   10 o   17.340   2.0680      ?      ? 
1 1 1   49   14   11 o   11.050   2.1510 3.716000 4.303000 
1 1 1   49   14   12 o   18.450   1.4850 2.561000 2.970000 
1 1 1   49   14   13 o   18.160   1.5930 3.682000 3.187000 
1 1 1   49   14   14 o   12.160   2.2060 -2.001000 4.411000 
1 1 1   49   14   15 o   26.280   1.1220 0.8893000 2.244000 
1 1 1   49   14   16 o   13.790   2.0430 -1.475000 4.086000 
1 1 1   49   14   17 o   9.9300   2.3310 -3.361000 4.661000 
1 1 1   49   14   18 o   16.040   1.7860 2.566000 3.572000 
1 1 1   49   14   19 o   8.1720   2.2240 -3.261000 4.448000 
1 1 1   49   14   20 o   17.380   1.6190 -0.5673000 3.237000 
1 1 1   49   14   21 o   7.0140   2.0210 3.515000 4.042000 
1 1 1   49   14   22 o   9.2530   2.2700 -3.420000 4.540000 
1 1 1   49   14   23 o   6.3480   2.8900      ?      ? 
1 1 1   49   14   24 o   7.1530   2.0600 1.974000 4.120000 
1 1 1   49   15    0 o   21.200   1.6190 -0.000000 0.000000 
1 1 1   49   15    1 o   21.540   1.1110 -1.257000 2.221000 
1 1 1   49   15    2 o   42.640   0.6953 2.112000 1.391000 
1 1 1   49   15    3 o   5.9300   1.8830 0.2043000E-02 3.766000 
1 1 1   49   15    4 o   14.480   1.7430 -4.636000 3.485000 
1 1 1   49   15    5 o   24.600   1.0060 -0.4426000 2.012000 
1 1 1   49   15    6 o   26.820   0.9481 -1.901000 1.896000 
1 1 1   49   15    7 o   18.240   1.3700 -1.037000 2.741000 
1 1 1   49   15    8 o   13.940   1.8320 3.001000 3.663000 
1 1 1   49   15    9 o   7.4140   1.9480 5.524000 3.896000 
1 1 1   49   15   10 o   15.280   1.8690 1.514000 3.739000 
1 1 1   49   15   11 o   18.850   1.5380 -2.848000 3.076000 
1 1 1   49   15   12 o   14.610   1.9850 -9.561000 3.969000 
1 1 1   49   15   13 o   7.2720   2.1600 -2.751000 4.320000 
1 1 1   49   15   14 o   21.550   1.3700 0.4680000 2.740000 
1 1 1   49   15   15 o   15.510   1.9330 -3.267000 3.867000 
1 1 1   49   15   16 o   15.130   1.9010 -0.5396000 3.801000 
1 1 1   49   15   17 o   10.340   2.3510 1.285000 4.702000 
1 1 1   49   15   18 o   12.020   2.2990 0.6210000E-01 4.598000 
1 1 1   49   15   19 o   8.2740   2.2970 1.109000 4.593000 
1 1 1   49   15   20 o   9.0300   2.1270 5.529000 4.255000 
1 1 1   49   15   21 o   11.870   2.2530 -3.684000 4.505000 
1 1 1   49   15   22 o   8.7810   2.1200 4.613000 4.240000 
1 1 1   49   15   23 o   11.400   2.2030 1.056000 4.405000 
1 1 1   49   16    0 o   15.360   2.4700 -0.000000 0.000000 
1 1 1   49   16    1 o   10.390   2.1280 -4.419000 4.257000 
1 1 1   49   16    2 o   9.2560   2.2530 0.6587000E-01 4.505000 
1 1 1   49   16    3 o   21.830   1.2270 3.173000 2.454000 
1 1 1   49   16    4 o   23.220   1.1360 -1.372000 2.273000 
1 1 1   49   16    5 f   20.790   1.2540 -0.2098000 2.509000 
1 1 1   49   16    6 o   8.4550   2.2210 -1.862000 4.442000 
1 1 1   49   16    7 o   12.080   2.1660 -1.025000 4.332000 
1 1 1   49   16    8 o   17.540   1.5270 0.5683000 3.053000 
1 1 1   49   16    9 o   19.200   1.4330 2.118000 2.866000 
1 1 1   49   16   10 o   16.070   1.7280 1.010000 3.456000 
1 1 1   49   16   11 o   12.390   2.0210 -7.317000 4.042000 
1 1 1   49   16   12 o   10.420   2.2810 -2.170000 4.561000 
1 1 1   49   16   13 o   19.920   1.3880 1.717000 2.776000 
1 1 1   49   16   14 o   13.040   2.1130 2.547000 4.227000 
1 1 1   49   16   15 o   7.4940   2.1780 1.002000 4.357000 
1 1 1   49   16   16 o   10.080   2.2640 1.146000 4.528000 
1 1 1   49   16   17 f   10.210   2.3010 -1.226000 4.602000 
1 1 1   49   16   18 o   16.350   1.6570 2.267000 3.315000 
1 1 1   49   16   19 o   9.7890   2.2110 -3.284000 4.423000 
1 1 1   49   16   20 o   11.180   2.1920 0.3282000 4.385000 
1 1 1   49   16   21 o   9.3070   2.2160 -0.2568000 4.432000 
1 1 1   49   16   22 o   7.4420   2.1230 -1.167000 4.245000 
1 1 1   49   17    0 o   10.940   3.1990 -0.000000 0.000000 
1 1 1   49   17    1 o   14.140   1.9980 -7.299000 3.996000 
1 1 1   49   17    2 o   20.140   1.5300 -9.235000 3.060000 
1 1 1   49   17    3 o   23.460   1.1900 -1.807000 2.381000 
1 1 1   49   17    4 o   16.620   1.6880 2.176000 3.376000 
1 1 1   49   17    5 o   15.300   1.8740 -3.910000 3.748000 
1 1 1   49   17    6 o   17.450   1.6080 -2.849000 3.217000 
1 1 1   49   17    7 o   15.860   1.7560 1.127000 3.513000 
1 1 1   49   17    8 o   15.290   1.8710 -0.7743000 3.743000 
1 1 1   49   17    9 f   7.7840   2.1360 -4.146000 4.272000 
1 1 1   49   17   10 o   8.7450   2.2710 2.877000 4.541000 
1 1 1   49   17   11 f   7.7620   2.3350 2.159000 4.670000 
1 1 1   49   17   12 o   9.3220   2.3210 2.289000 4.642000 
1 1 1   49   17   13 o   10.710   2.2190 5.080000 4.438000 
1 1 1   49   17   14 o   9.4160   2.2540 -3.284000 4.508000 
1 1 1   49   17   15 o   7.0380   2.1270 0.6639000 4.254000 
1 1 1   49   17   16 o   17.480   1.5270 2.486000 3.054000 
1 1 1   49   17   17 o   7.7990   2.1840 0.4300000 4.368000 
1 1 1   49   17   18 o   6.2680   1.9680 -0.7951000 3.936000 
1 1 1   49   17   19 o   6.5440   1.9940 -1.610000 3.988000 
1 1 1   49   17   20 o   7.4440   2.1060 1.874000 4.213000 
1 1 1   49   18    0 o   7.5290   3.1540 -0.000000 0.000000 
1 1 1   49   18    1 o   8.6300   2.2960 2.189000 4.593000 
1 1 1   49   18    2 o   11.870   2.1440 6.284000 4.288000 
1 1 1   49   18    3 o   12.300   2.1310 -6.345000 4.262000 
1 1 1   49   18    4 o   9.3250   2.3050 -2.636000 4.610000 
1 1 1   49   18    5 o   12.800   2.1950 -1.655000 4.391000 
1 1 1   49   18    6 f   7.1160   2.1620 0.7779000 4.323000 
1 1 1   49   18    7 o   9.6080   2.3480 -0.7237000 4.696000 
1 1 1   49   18    8 o   13.620   2.0510 0.2478000E-01 4.101000 
1 1 1   49   18    9 o   7.6750   2.2090 -1.780000 4.418000 
1 1 1   49   18   10 o   11.260   2.1710 -5.352000 4.342000 
1 1 1   49   18   11 o   11.850   2.2270 -2.204000 4.453000 
1 1 1   49   18   12 o   6.0600   1.9690 0.6957000E-01 3.937000 
1 1 1   49   18   13 o   7.1060   2.1460 1.132000 4.292000 
1 1 1   49   18   14 o   7.3630   2.1630 1.240000 4.327000 
1 1 1   49   18   15 o   8.2530   2.2250 0.8563000 4.450000 
1 1 1   49   18   16 o   6.7800   2.0730 0.3918000E-01 4.146000 
1 1 1   49   18   17 o   7.6690   2.1550 0.6479000 4.311000 
1 1 1   49   18   18 o   7.4310   2.1220 0.4153000 4.245000 
1 1 1   49   19    0 f   6.5010   2.9150 -0.000000 0.000000 
1 1 1   49   19    1 o   6.6250   2.0640 2.102000 4.128000 
1 1 1   49   19    2 o   9.7750   2.1240 -6.347000 4.248000 
1 1 1   49   19    3 o   16.720   1.7250 -1.703000 3.451000 
1 1 1   49   19    4 o   12.460   2.1570 5.947000 4.314000 
1 1 1   49   19    5 o   20.190   1.4540 3.529000 2.908000 
1 1 1   49   19    6 f   9.6580   2.3800 -1.393000 4.759000 
1 1 1   49   19    7 o   10.350   2.1480 -6.586000 4.295000 
1 1 1   49   19    8 o   9.9200   2.3500 1.836000 4.700000 
1 1 1   49   19    9 o   7.8030   3.1600      ?      ? 
1 1 1   49   19   10 o   6.6020   2.0330 2.732000 4.066000 
1 1 1   49   19   11 o   14.420   1.9430 8.160000 3.887000 
1 1 1   49   19   12 o   7.3910   2.1520 2.300000 4.305000 
1 1 1   49   19   13 o   6.9980   2.0860 -2.171000 4.173000 
1 1 1   49   19   14 o   7.5080   2.1550 1.946000 4.310000 
1 1 1   49   19   15 o   7.0310   1.9890 4.424000 3.978000 
1 1 1   49   19   16 o   8.7660   2.1810 3.012000 4.363000 
1 1 1   49   20    0 o   6.1280   2.8420 -0.000000 0.000000 
1 1 1   49   20    1 o   13.450   2.1960 -2.240000 4.392000 
1 1 1   49   20    2 o   9.9160   2.3950 1.334000 4.790000 
1 1 1   49   20    3 o   11.140   2.3600 1.999000 4.720000 
1 1 1   49   20    4 o   12.090   2.3360 -0.8640000 4.671000 
1 1 1   49   20    5 o   8.5950   2.3370 0.8831000 4.675000 
1 1 1   49   20    6 o   6.4940   2.0220 2.804000 4.045000 
1 1 1   49   20    7 o   9.7100   2.2670 4.255000 4.534000 
1 1 1   49   20    8 o   9.5930   2.0140 7.564000 4.027000 
1 1 1   49   20    9 o   10.410   2.2800 -2.780000 4.559000 
1 1 1   49   20   10 o   6.5720   2.0240 -2.198000 4.047000 
1 1 1   49   20   11 o   8.9820   2.2910 1.272000 4.581000 
1 1 1   49   20   12 o   8.3400   2.2630 1.164000 4.525000 
1 1 1   49   20   13 o   9.0200   2.2470 -2.148000 4.494000 
1 1 1   49   20   14 o   7.2990   3.2820      ?      ? 
1 1 1   49   21    0 o   11.160   3.6740 -0.000000 0.000000 
1 1 1   49   21    1 o   9.6310   2.3920 -0.6566000 4.784000 
1 1 1   49   21    2 o   6.9230   2.1430 -0.5522000E-01 4.286000 
1 1 1   49   21    3 o   10.120   2.3340 -2.850000 4.669000 
1 1 1   49   21    4 o   7.4230   2.2110 0.9564000 4.423000 
1 1 1   49   21    5 o   8.9150   2.2920 2.408000 4.583000 
1 1 1   49   21    6 o   8.4910   2.2690 1.838000 4.537000 
1 1 1   49   21    7 o   6.8350   2.1000 -0.8419000 4.200000 
1 1 1   49   21    8 o   7.6170   2.0330 -5.024000 4.066000 
1 1 1   49   21    9 o   8.4030   2.1100 4.661000 4.219000 
1 1 1   49   21   10 o   6.8630   2.0680 1.687000 4.136000 
1 1 1   49   22    0 f   9.3350   3.3330 -0.000000 0.000000 
1 1 1   49   22    1 o   6.9420   2.1140 1.744000 4.228000 
1 1 1   49   22    2 o   7.5630   2.2120 -0.4083000 4.424000 
1 1 1   49   22    3 o   7.1900   2.1820 -2.218000 4.365000 
1 1 1   49   22    4 o   8.9940   2.2480 -4.193000 4.496000 
1 1 1   50    0    0 o   14.360   1.9420 -0.000000 0.000000 
1 1 1   50    0    1 o   18.450   1.1070 -0.000000 0.000000 
1 1 1   50    0    2 o   16.310   1.2300 -0.000000 0.000000 
1 1 1   50    0    3 o   29.230   0.8106 -0.000000 0.000000 
1 1 1   50    0    4 o   45.880   0.8291 -0.000000 0.000000 
1 1 1   50    0    5 o   27.070   0.8145 -0.000000 0.000000 
1 1 1   50    0    6 o   8.4070   2.2270 -0.000000 0.000000 
1 1 1   50    0    7 o   19.750   1.0290 -0.000000 0.000000 
1 1 1   50    0    8 o   33.700   0.8000 -0.000000 0.000000 
1 1 1   50    0    9 o   55.440   0.9318 -0.000000 0.000000 
1 1 1   50    0   10 o   26.760   0.8760 -0.000000 0.000000 
1 1 1   50    0   11 o   78.800   1.2130 -0.000000 0.000000 
1 1 1   50    0   12 f   82.220   1.2640 -0.000000 0.000000 
1 1 1   50    0   13 o   15.810   1.3990 -0.000000 0.000000 
1 1 1   50    0   14 o   55.230   0.9397 -0.000000 0.000000 
1 1 1   50    0   15 o   31.670   0.8749 -0.000000 0.000000 
1 1 1   50    0   16 o   18.590   1.2170 -0.000000 0.000000 
1 1 1   50    0   17 o   49.830   0.9029 -0.000000 0.000000 
1 1 1   50    0   18 o   4.4680   2.0770 -0.000000 0.000000 
1 1 1   50    0   19 o   68.940   1.1070 -0.000000 0.000000 
1 1 1   50    0   20 o   7.8250   2.5660 -0.000000 0.000000 
1 1 1   50    0   21 o   5.8560   2.4880 -0.000000 0.000000 
1 1 1   50    0   22 o   5.8440   2.4890 -0.000000 0.000000 
1 1 1   50    0   23 o   10.750   2.6090 -0.000000 0.000000 
1 1 1   50    0   24 o   13.060   2.1150 -0.000000 0.000000 
1 1 1   50    0   25 o   9.4370   2.6790 -0.000000 0.000000 
1 1 1   50    0   26 o   6.1720   2.5790 -0.000000 0.000000 
1 1 1   50    0   27 o   20.380   1.3480 -0.000000 0.000000 
1 1 1   50    0   28 o   5.4240   2.4100 -0.000000 0.000000 
1 1 1   50    0   29 o   8.3440   2.6210 -0.000000 0.000000 
1 1 1   50    0   30 o   13.310   1.8140 -0.000000 0.000000 
1 1 1   50    0   31 f   7.4710   2.4920 -0.000000 0.000000 
1 1 1   50    1    0 o   34.840   0.6223 -0.000000 0.000000 
1 1 1   50    1    1 o   49.660   0.4915 -0.5238000 0.9830000 
1 1 1   50    1    2 o   25.870   0.4788 0.2435000 0.9576000 
1 1 1   50    1    3 o   42.050   0.4538 -0.2732000 0.9076000 
1 1 1   50    1    4 o   40.340   0.4508 3.219000 0.9016000 
1 1 1   50    1    5 o   35.160   0.4344 -4.275000 0.8689000 
1 1 1   50    1    6 o   57.650   0.5380 -3.470000 1.076000 
1 1 1   50    1    7 o   42.790   0.4586 1.813000 0.9172000 
1 1 1   50    1    8 o   28.820   0.4690 1.145000 0.9381000 
1 1 1   50    1    9 o   36.640   0.4583 -1.611000 0.9165000 
1 1 1   50    1   10 o   14.270   0.7955 1.099000 1.591000 
1 1 1   50    1   11 o   41.640   0.4714 3.982000 0.9429000 
1 1 1   50    1   12 f   45.310   0.4786 -4.066000 0.9572000 
1 1 1   50    1   13 o   62.310   0.6472 -0.5424000 1.294000 
1 1 1   50    1   14 o   37.650   0.5347 -1.434000 1.069000 
1 1 1   50    1   15 o   8.7670   1.4320 -5.764000 2.865000 
1 1 1   50    1   16 o   14.800   0.8979 -2.541000 1.796000 
1 1 1   50    1   17 o   21.390   0.6824 1.682000 1.365000 
1 1 1   50    1   18 o   7.8640   1.6400 -2.190000 3.279000 
1 1 1   50    1   19 o   10.700   1.6100 -1.781000 3.221000 
1 1 1   50    1   20 o   11.860   1.5170 1.736000 3.033000 
1 1 1   50    1   21 o   16.220   1.2080 5.221000 2.416000 
1 1 1   50    1   22 f   9.6090   1.8530 2.668000 3.706000 
1 1 1   50    1   23 o   9.6510   1.8080 4.137000 3.617000 
1 1 1   50    1   24 o   40.050   0.6648 0.2210000 1.330000 
1 1 1   50    1   25 o   11.010   1.8040 1.375000 3.607000 
1 1 1   50    1   26 o   26.410   0.8161 0.5356000 1.632000 
1 1 1   50    1   27 o   7.5540   1.9450 0.1154000E-01 3.890000 
1 1 1   50    1   28 o   10.210   1.8310 -2.606000 3.661000 
1 1 1   50    1   29 o   13.360   1.3430 -1.654000 2.687000 
1 1 1   50    1   30 o   23.390   0.7731 0.4208000 1.546000 
1 1 1   50    1   31 o   10.780   1.5010 1.325000 3.002000 
1 1 1   50    2    0 o   54.430   0.8936 -0.000000 0.000000 
1 1 1   50    2    1 o   26.100   0.5845 0.6159000 1.169000 
1 1 1   50    2    2 f   36.760   0.5432 1.810000 1.086000 
1 1 1   50    2    3 o   43.250   0.5654 5.180000 1.131000 
1 1 1   50    2    4 o   30.620   0.5523 -6.140000 1.105000 
1 1 1   50    2    5 o   18.160   0.7505 -4.900000 1.501000 
1 1 1   50    2    6 o   43.140   0.5600 -3.387000 1.120000 
1 1 1   50    2    7 o   23.280   0.6177 -0.3079000 1.235000 
1 1 1   50    2    8 o   47.100   0.5866 -2.505000 1.173000 
1 1 1   50    2    9 o   26.970   0.5999 0.9519000 1.200000 
1 1 1   50    2   10 o   20.790   0.6338 0.3154000 1.268000 
1 1 1   50    2   11 o   53.140   0.5759 2.059000 1.152000 
1 1 1   50    2   12 f   12.170   1.0160 -2.813000 2.032000 
1 1 1   50    2   13 o   53.320   0.5828 -2.352000 1.166000 
1 1 1   50    2   14 o   28.460   0.5538 -1.990000 1.108000 
1 1 1   50    2   15 o   74.310   0.7494 -4.083000 1.499000 
1 1 1   50    2   16 o   27.680   0.5824 3.398000 1.165000 
1 1 1   50    2   17 f   43.390   0.4960 0.2014000 0.9920000 
1 1 1   50    2   18 o   36.440   0.4972 -1.224000 0.9943000 
1 1 1   50    2   19 o   72.430   0.6620 0.1458000 1.324000 
1 1 1   50    2   20 o   25.350   0.6119 1.762000 1.224000 
1 1 1   50    2   21 o   20.880   0.7910 -1.973000 1.582000 
1 1 1   50    2   22 o   9.4270   1.6190 3.103000 3.238000 
1 1 1   50    2   23 o   24.820   0.7354 1.486000 1.471000 
1 1 1   50    2   24 o   7.9980   1.6790 3.081000 3.357000 
1 1 1   50    2   25 o   27.520   0.6915 -0.8461000 1.383000 
1 1 1   50    2   26 o   12.560   1.3660 -4.065000 2.733000 
1 1 1   50    2   27 o   18.280   1.1120 -1.231000 2.224000 
1 1 1   50    2   28 o   9.8040   1.8440 -4.239000 3.688000 
1 1 1   50    2   29 o   5.8910   1.7430 1.308000 3.487000 
1 1 1   50    2   30 f   9.4280   1.7350 3.101000 3.470000 
1 1 1   50    2   31 o   5.6270   1.6170 -2.174000 3.234000 
1 1 1   50    3    0 o   58.570   0.9510 -0.000000 0.000000 
1 1 1   50    3    1 o   33.250   0.5414 2.834000 1.083000 
1 1 1   50    3    2 o   43.120   0.5642 -2.382000 1.128000 
1 1 1   50    3    3 o   19.740   0.7089 -0.4537000 1.418000 
1 1 1   50    3    4 o   40.320   0.5570 -2.164000 1.114000 
1 1 1   50    3    5 o   26.210   0.5863 -1.763000 1.173000 
1 1 1   50    3    6 o   53.730   0.6311 6.103000 1.262000 
1 1 1   50    3    7 o   39.870   0.5482 -5.439000 1.096000 
1 1 1   50    3    8 o   16.820   0.8129 1.060000 1.626000 
1 1 1   50    3    9 o   77.010   0.8364 -1.204000 1.673000 
1 1 1   50    3   10 o   65.270   0.7307 4.834000 1.461000 
1 1 1   50    3   11 o   51.780   0.6264 -3.487000 1.253000 
1 1 1   50    3   12 o   43.420   0.5822 -0.9894000 1.164000 
1 1 1   50    3   13 o   36.120   0.5729 0.6981000 1.146000 
1 1 1   50    3   14 o   31.140   0.5972 -4.123000 1.194000 
1 1 1   50    3   15 o   32.520   0.5986 -2.427000 1.197000 
1 1 1   50    3   16 o   16.860   0.9441 1.641000 1.888000 
1 1 1   50    3   17 o   27.920   0.6460 -2.852000 1.292000 
1 1 1   50    3   18 o   17.540   0.9650 1.982000 1.930000 
1 1 1   50    3   19 o   23.440   0.7060 -1.902000 1.412000 
1 1 1   50    3   20 o   26.080   0.6785 -3.063000 1.357000 
1 1 1   50    3   21 o   18.610   0.9331 0.6835000 1.866000 
1 1 1   50    3   22 o   21.170   0.8431 -0.7771000 1.686000 
1 1 1   50    3   23 o   12.290   1.4820 -7.763000 2.965000 
1 1 1   50    3   24 o   37.660   0.6793 0.8377000 1.359000 
1 1 1   50    3   25 o   9.4810   1.7070 -2.825000 3.415000 
1 1 1   50    3   26 o   6.1130   1.7340 -0.7040000 3.468000 
1 1 1   50    3   27 o   15.650   1.2050 2.014000 2.409000 
1 1 1   50    3   28 o   7.8370   1.8200 -0.7256000 3.641000 
1 1 1   50    3   29 o   25.830   0.6942 2.085000 1.388000 
1 1 1   50    3   30 o   9.0500   1.5970 -1.082000 3.193000 
1 1 1   50    3   31 f   8.5170   1.5570 -2.384000 3.114000 
1 1 1   50    4    0 o   7.1010   2.3260 -0.000000 0.000000 
1 1 1   50    4    1 o   28.050   0.5959 0.4153000 1.192000 
1 1 1   50    4    2 o   33.520   0.5610 3.981000 1.122000 
1 1 1   50    4    3 o   52.430   0.6268 -2.584000 1.254000 
1 1 1   50    4    4 o   22.860   0.6668 -5.850000 1.334000 
1 1 1   50    4    5 o   9.7590   1.4390 -2.844000 2.879000 
1 1 1   50    4    6 o   33.190   0.5654 -7.196000 1.131000 
1 1 1   50    4    7 f   18.360   0.7829 2.714000 1.566000 
1 1 1   50    4    8 o   14.280   1.0510 5.681000 2.103000 
1 1 1   50    4    9 o   55.750   0.6552 3.492000 1.310000 
1 1 1   50    4   10 o   64.530   0.7268 5.483000 1.454000 
1 1 1   50    4   11 f   36.040   0.5669 0.6896000 1.134000 
1 1 1   50    4   12 o   19.350   0.7657 0.3256000 1.531000 
1 1 1   50    4   13 o   34.040   0.5958 0.5150000 1.192000 
1 1 1   50    4   14 f   52.490   0.6465 -1.810000 1.293000 
1 1 1   50    4   15 o   36.370   0.5934 -0.1437000 1.187000 
1 1 1   50    4   16 o   39.280   0.6046 1.034000 1.209000 
1 1 1   50    4   17 o   34.230   0.6280 0.9577000 1.256000 
1 1 1   50    4   18 o   19.230   0.9216 -1.087000 1.843000 
1 1 1   50    4   19 o   20.400   0.8986 1.440000 1.797000 
1 1 1   50    4   20 o   11.180   1.6830 1.967000 3.367000 
1 1 1   50    4   21 o   9.7030   1.8560 0.4521000E-01 3.713000 
1 1 1   50    4   22 o   10.180   1.7930 -2.611000 3.585000 
1 1 1   50    4   23 o   9.4120   1.9080 -2.946000 3.817000 
1 1 1   50    4   24 o   7.4550   1.9400 -3.244000 3.880000 
1 1 1   50    4   25 o   18.260   1.0960 3.347000 2.192000 
1 1 1   50    4   26 o   15.530   1.4040      ?      ? 
1 1 1   50    4   27 o   5.4590   1.6030 2.360000 3.206000 
1 1 1   50    4   28 o   15.290   1.2110 -0.3041000 2.422000 
1 1 1   50    4   29 o  10.0000   1.6290 -4.531000 3.258000 
1 1 1   50    4   30 o   13.870   1.3790      ?      ? 
1 1 1   50    4   31 o   19.000   0.9644 -0.3340000 1.929000 
1 1 1   50    5    0 o   6.1950   2.3680 -0.000000 0.000000 
1 1 1   50    5    1 o   45.340   0.5970 -0.2580000 1.194000 
1 1 1   50    5    2 o   24.720   0.6534 -7.479000 1.307000 
1 1 1   50    5    3 o   33.010   0.5770 -1.762000 1.154000 
1 1 1   50    5    4 o   24.960   0.6338 0.6525000 1.268000 
1 1 1   50    5    5 o   14.560   1.0050 1.913000 2.010000 
1 1 1   50    5    6 o   34.330   0.5714 -6.193000 1.143000 
1 1 1   50    5    7 o   34.080   0.5858 -1.586000 1.172000 
1 1 1   50    5    8 o   20.340   0.7468 -2.376000 1.494000 
1 1 1   50    5    9 o   33.450   0.5813 3.219000 1.163000 
1 1 1   50    5   10 o   32.300   0.5921 -2.283000 1.184000 
1 1 1   50    5   11 o   35.530   0.5843 -2.028000 1.169000 
1 1 1   50    5   12 o   53.800   0.6491 -2.997000 1.298000 
1 1 1   50    5   13 o   8.6130   1.7180 -1.316000 3.436000 
1 1 1   50    5   14 o   20.820   0.8430 -5.452000 1.686000 
1 1 1   50    5   15 o   48.590   0.6362 1.090000 1.272000 
1 1 1   50    5   16 o   6.8300   1.7700 -2.536000 3.540000 
1 1 1   50    5   17 o   30.540   0.6881 -0.5202000 1.376000 
1 1 1   50    5   18 o   18.860   1.0050 -2.802000 2.010000 
1 1 1   50    5   19 o   13.290   1.4390 0.9997000 2.879000 
1 1 1   50    5   20 o   23.280   0.8811 -2.139000 1.762000 
1 1 1   50    5   21 o   31.540   0.7540 1.595000 1.508000 
1 1 1   50    5   22 o   15.820   1.3680 -6.336000 2.736000 
1 1 1   50    5   23 o   11.520   1.7880 5.259000 3.576000 
1 1 1   50    5   24 o   20.190   1.0870 1.903000 2.175000 
1 1 1   50    5   25 o   5.7080   1.7980 0.6052000E-01 3.596000 
1 1 1   50    5   26 o   6.7120   1.8470 -3.982000 3.695000 
1 1 1   50    5   27 o   10.080   1.8370 1.557000 3.674000 
1 1 1   50    5   28 o   6.1960   1.8170 -0.6147000 3.634000 
1 1 1   50    5   29 o   15.570   1.2250 0.4679000 2.451000 
1 1 1   50    5   30 o   5.4030   1.6090 0.2235000 3.219000 
1 1 1   50    5   31 f   5.4440   1.7090 -2.235000 3.417000 
1 1 1   50    6    0 o   17.380   1.2980 -0.000000 0.000000 
1 1 1   50    6    1 o   49.300   0.6249 3.962000 1.250000 
1 1 1   50    6    2 o   38.460   0.5885 1.081000 1.177000 
1 1 1   50    6    3 o   35.580   0.6009 -1.775000 1.202000 
1 1 1   50    6    4 o   37.380   0.5884 1.731000 1.177000 
1 1 1   50    6    5 o   33.780   0.6035 -2.396000 1.207000 
1 1 1   50    6    6 o   56.690   0.6722 2.491000 1.344000 
1 1 1   50    6    7 o   9.7930   1.4820 -6.866000 2.965000 
1 1 1   50    6    8 o   7.2240   1.6290 -3.284000 3.259000 
1 1 1   50    6    9 o   38.670   0.5879 -1.498000 1.176000 
1 1 1   50    6   10 o   41.340   0.8429      ?      ? 
1 1 1   50    6   11 o   49.120   0.6309 -1.676000 1.262000 
1 1 1   50    6   12 o   29.270   0.6624 4.827000 1.325000 
1 1 1   50    6   13 o   43.310   0.6286 1.151000 1.257000 
1 1 1   50    6   14 o   32.570   0.6593 -2.453000 1.319000 
1 1 1   50    6   15 o   14.190   1.2940 1.827000 2.589000 
1 1 1   50    6   16 o   66.140   0.7668 0.3288000 1.534000 
1 1 1   50    6   17 o   46.450   0.6583 -2.854000 1.317000 
1 1 1   50    6   18 f   32.650   0.7046 0.6539000 1.409000 
1 1 1   50    6   19 f   27.070   0.8122 -0.7364000 1.624000 
1 1 1   50    6   20 o   20.550   1.0650 1.360000 2.130000 
1 1 1   50    6   21 o   19.090   1.1620 2.995000 2.324000 
1 1 1   50    6   22 o   18.720   1.2250 -1.220000 2.449000 
1 1 1   50    6   23 o   19.500   1.1750 -1.574000 2.350000 
1 1 1   50    6   24 o   9.2060   2.0100 -2.361000 4.019000 
1 1 1   50    6   25 o   6.8100   1.8170 -5.695000 3.635000 
1 1 1   50    6   26 o   16.800   1.2670 1.093000 2.534000 
1 1 1   50    6   27 o   19.240   1.0710 -0.3269000 2.143000 
1 1 1   50    6   28 o   5.7430   1.7590 -3.365000 3.519000 
1 1 1   50    6   29 o   7.1570   1.9060 -1.891000 3.812000 
1 1 1   50    6   30 o   6.2840   1.7860 -2.405000 3.572000 
1 1 1   50    7    0 o   50.590   0.9163 -0.000000 0.000000 
1 1 1   50    7    1 o   45.360   0.6211 0.6449000E-01 1.242000 
1 1 1   50    7    2 o   10.300   1.5500 3.220000 3.100000 
1 1 1   50    7    3 o   4.8050   1.5340 0.6831000 3.067000 
1 1 1   50    7    4 o   21.100   0.8252 -4.718000 1.650000 
1 1 1   50    7    5 o   42.400   0.6076 1.280000 1.215000 
1 1 1   50    7    6 o   24.880   0.7108 -3.448000 1.422000 
1 1 1   50    7    7 o   24.500   0.7278 1.652000 1.456000 
1 1 1   50    7    8 o   26.360   0.6950 -2.205000 1.390000 
1 1 1   50    7    9 o   43.250   0.6145 -1.083000 1.229000 
1 1 1   50    7   10 o   9.0520   1.7060 -2.113000 3.411000 
1 1 1   50    7   11 o   6.3730   1.7590 1.819000 3.518000 
1 1 1   50    7   12 o   55.810   0.6895 -2.697000 1.379000 
1 1 1   50    7   13 o   18.080   1.0010 -1.641000 2.003000 
1 1 1   50    7   14 o   39.880   0.6502 1.801000 1.300000 
1 1 1   50    7   15 o   54.170   0.6959 -0.6345000 1.392000 
1 1 1   50    7   16 o   34.090   0.7148 1.036000 1.430000 
1 1 1   50    7   17 o   16.760   1.3210 -6.714000 2.642000 
1 1 1   50    7   18 o   31.320   0.7500 -3.572000 1.500000 
1 1 1   50    7   19 o   17.430   1.2930 3.331000 2.585000 
1 1 1   50    7   20 o   32.160   0.8058 -2.720000 1.612000 
1 1 1   50    7   21 o   30.540   0.7806 -0.8967000 1.561000 
1 1 1   50    7   22 o   23.500   0.9510 2.250000 1.902000 
1 1 1   50    7   23 o   22.010   0.9913 -3.028000 1.983000 
1 1 1   50    7   24 o   10.740   1.9620 -4.768000 3.924000 
1 1 1   50    7   25 o   14.610   1.5810 2.059000 3.163000 
1 1 1   50    7   26 o   16.220   1.3390 -1.887000 2.679000 
1 1 1   50    7   27 o   9.3580   1.9660 -3.906000 3.933000 
1 1 1   50    7   28 o   17.930   1.1310 -2.337000 2.263000 
1 1 1   50    7   29 o   7.8730   2.0440 1.512000 4.088000 
1 1 1   50    7   30 o   11.500   1.6710 1.755000 3.341000 
1 1 1   50    8    0 o   28.640   0.9593 -0.000000 0.000000 
1 1 1   50    8    1 o   29.210   0.6682 0.3332000 1.336000 
1 1 1   50    8    2 o   76.940   0.8525 -2.258000 1.705000 
1 1 1   50    8    3 f   64.970   0.7524 3.814000 1.505000 
1 1 1   50    8    4 f   51.610   0.6630 -0.6380000 1.326000 
1 1 1   50    8    5 o   12.880   1.4740 -5.084000 2.948000 
1 1 1   50    8    6 o   25.250   0.7511 0.3480000 1.502000 
1 1 1   50    8    7 o   49.660   0.6502 0.7391000 1.300000 
1 1 1   50    8    8 o   21.050   0.8862 4.404000 1.772000 
1 1 1   50    8    9 o   52.160   0.6754 -2.995000 1.351000 
1 1 1   50    8   10 o   30.690   0.7010 0.4724000E-01 1.402000 
1 1 1   50    8   11 o   51.440   0.6758 -1.236000 1.352000 
1 1 1   50    8   12 o   25.160   0.8197 1.667000 1.639000 
1 1 1   50    8   13 o   15.570   1.2720 -0.9879000 2.543000 
1 1 1   50    8   14 o   43.000   0.6678 1.170000 1.336000 
1 1 1   50    8   15 o   17.910   1.2010 -3.879000 2.403000 
1 1 1   50    8   16 o   23.510   0.9587 1.399000 1.917000 
1 1 1   50    8   17 o   20.010   1.1090 -1.318000 2.217000 
1 1 1   50    8   18 f   12.150   1.8090 -2.706000 3.619000 
1 1 1   50    8   19 o   13.570   1.6100 2.460000 3.221000 
1 1 1   50    8   20 o   12.400   1.8110 2.811000 3.623000 
1 1 1   50    8   21 o   7.0870   1.9330 2.644000 3.867000 
1 1 1   50    8   22 o   10.920   1.9930 0.4979000 3.986000 
1 1 1   50    8   23 o   11.270   1.9820 -1.321000 3.964000 
1 1 1   50    8   24 o   9.7120   2.0310 -4.552000 4.062000 
1 1 1   50    8   25 o   9.0940   2.0020 3.373000 4.004000 
1 1 1   50    8   26 o   8.4310   2.1020 -0.9247000 4.203000 
1 1 1   50    8   27 f   7.3630   2.0090 -0.3575000 4.018000 
1 1 1   50    8   28 o   9.4970   1.9480 -4.846000 3.896000 
1 1 1   50    8   29 o   9.9410   1.8170 3.943000 3.634000 
1 1 1   50    9    0 o   47.470   0.9297 -0.000000 0.000000 
1 1 1   50    9    1 o   12.260   1.5130 0.4472000E-01 3.026000 
1 1 1   50    9    2 o   41.130   0.6437 -0.3028000 1.287000 
1 1 1   50    9    3 o   39.250   0.6604 0.4298000 1.321000 
1 1 1   50    9    4 o   34.870   0.6792 1.251000 1.358000 
1 1 1   50    9    5 o   32.160   0.7027 1.079000 1.405000 
1 1 1   50    9    6 o   32.090   0.7034 -4.862000 1.407000 
1 1 1   50    9    7 o   47.570   0.6661 -0.2930000 1.332000 
1 1 1   50    9    8 o   16.930   1.1420 1.896000 2.285000 
1 1 1   50    9    9 o   7.9430   1.8040 -4.107000 3.609000 
1 1 1   50    9   10 f   29.730   0.7467 4.732000 1.493000 
1 1 1   50    9   11 o   24.620   0.8622 -2.132000 1.724000 
1 1 1   50    9   12 o   40.970   0.6982 0.8215000E-01 1.396000 
1 1 1   50    9   13 o   11.580   1.8510 0.5472000 3.703000 
1 1 1   50    9   14 o   31.530   0.7839 -0.9232000 1.568000 
1 1 1   50    9   15 o   8.5340   2.0820 -0.2478000 4.165000 
1 1 1   50    9   16 f   35.760   0.7642 -0.9895000 1.528000 
1 1 1   50    9   17 o   39.420   0.6848 1.055000 1.370000 
1 1 1   50    9   18 o   6.3900   1.9960 0.4472000 3.992000 
1 1 1   50    9   19 o   23.840   0.9741 -5.359000 1.948000 
1 1 1   50    9   20 o   8.3920   2.0560 2.410000 4.113000 
1 1 1   50    9   21 o   9.8720   2.1490 0.4091000 4.297000 
1 1 1   50    9   22 f   16.570   1.5330 4.586000 3.065000 
1 1 1   50    9   23 o   10.560   2.1020 -0.5626000 4.203000 
1 1 1   50    9   24 o   7.0730   2.0470 -1.657000 4.093000 
1 1 1   50    9   25 o   15.220   1.5820 -2.069000 3.164000 
1 1 1   50    9   26 o   18.100   1.3570 4.094000 2.715000 
1 1 1   50    9   27 o   14.000   1.6560 -2.323000 3.313000 
1 1 1   50    9   28 o   8.9510   2.0510 -0.2335000 4.103000 
1 1 1   50    9   29 o   5.9050   1.8300 0.9935000E-02 3.660000 
1 1 1   50   10    0 o   21.560   1.3520 -0.000000 0.000000 
1 1 1   50   10    1 o   56.240   0.7136 -1.373000 1.427000 
1 1 1   50   10    2 o   30.880   0.7310 1.385000 1.462000 
1 1 1   50   10    3 o   34.300   0.6918 0.3114000E-01 1.384000 
1 1 1   50   10    4 o   38.840   0.6858 1.036000 1.372000 
1 1 1   50   10    5 o   42.510   0.6746 -0.4433000 1.349000 
1 1 1   50   10    6 o   41.970   0.6726 -0.5912000 1.345000 
1 1 1   50   10    7 o   30.380   0.7541 1.339000 1.508000 
1 1 1   50   10    8 o   39.790   0.6885 2.174000 1.377000 
1 1 1   50   10    9 o   27.540   0.8409 4.003000 1.682000 
1 1 1   50   10   10 o   36.900   0.7198 0.7994000 1.440000 
1 1 1   50   10   11 o   35.140   0.7513 3.943000 1.503000 
1 1 1   50   10   12 o   35.020   0.7498 2.673000 1.500000 
1 1 1   50   10   13 o   45.150   0.7174 -1.611000 1.435000 
1 1 1   50   10   14 f   24.520   1.2080      ?      ? 
1 1 1   50   10   15 o   16.750   1.3540 1.050000 2.708000 
1 1 1   50   10   16 o   24.810   0.9449 -1.495000 1.890000 
1 1 1   50   10   17 o   31.370   0.9507 -1.883000 1.901000 
1 1 1   50   10   18 o   28.410   0.8765 0.6055000 1.753000 
1 1 1   50   10   19 o   21.570   1.1410 2.422000 2.281000 
1 1 1   50   10   20 o   28.280   0.9205 -2.777000 1.841000 
1 1 1   50   10   21 o   19.740   1.2640 0.9776000 2.527000 
1 1 1   50   10   22 o   8.3900   2.0680 -4.566000 4.137000 
1 1 1   50   10   23 o   16.790   1.4820 -2.767000 2.964000 
1 1 1   50   10   24 o   24.690   1.0190 -0.8310000 2.039000 
1 1 1   50   10   25 f   11.240   1.9580 5.268000 3.917000 
1 1 1   50   10   26 o   9.2540   2.0110 3.535000 4.021000 
1 1 1   50   10   27 o   9.6290   2.0520 -4.844000 4.104000 
1 1 1   50   10   28 o   9.6850   2.1000 -2.203000 4.200000 
1 1 1   50   11    0 o   11.620   2.6080 -0.000000 0.000000 
1 1 1   50   11    1 o   25.640   0.8549 0.1689000 1.710000 
1 1 1   50   11    2 o   64.410   0.7777 -1.035000 1.555000 
1 1 1   50   11    3 o   28.010   0.8203 -0.6943000 1.641000 
1 1 1   50   11    4 o   36.270   0.7360 -0.7474000 1.472000 
1 1 1   50   11    5 o   50.390   0.7109 -2.985000 1.422000 
1 1 1   50   11    6 f   42.440   0.7150 -1.483000 1.430000 
1 1 1   50   11    7 o   33.820   0.7632 -0.7284000 1.526000 
1 1 1   50   11    8 o   23.740   0.9804 -3.989000 1.961000 
1 1 1   50   11    9 o   49.020   0.7154 1.931000 1.431000 
1 1 1   50   11   10 o   22.870   1.0310 -0.4027000E-01 2.063000 
1 1 1   50   11   11 o   40.260   0.6796 0.2853000 1.359000 
1 1 1   50   11   12 o   13.480   1.6420 -0.3205000 3.283000 
1 1 1   50   11   13 o   20.760   1.1210 2.661000 2.242000 
1 1 1   50   11   14 o   9.2230   2.0930 1.071000 4.185000 
1 1 1   50   11   15 f   30.100   0.8355 -0.9175000 1.671000 
1 1 1   50   11   16 o   44.520   0.7143 -1.108000 1.429000 
1 1 1   50   11   17 o   6.9200   2.0470 -1.407000 4.094000 
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1 1 1   50   12    7 o   21.800   1.0510 2.659000 2.102000 
1 1 1   50   12    8 o   54.010   0.6953 -0.8351000 1.391000 
1 1 1   50   12    9 o   35.260   0.7399 -2.064000 1.480000 
1 1 1   50   12   10 o   19.620   1.1870 0.5673000 2.374000 
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1 1 1   50   12   12 o   45.870   0.7194 0.3829000 1.439000 
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1 1 1   50   12   14 o   36.400   0.7953 -0.3322000 1.591000 
1 1 1   50   12   15 o   11.470   2.0800 2.965000 4.160000 
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1 1 1   50   14   12 o   24.920   1.1000 0.5966000 2.199000 
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1 1 1   50   14   14 o   5.2000   1.7740 0.3176000 3.548000 
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1 1 1   51    1   17 o   4.6200   1.4330 0.7566000 2.865000 
1 1 1   51    1   18 o   22.860   0.6748 0.8496000 1.350000 
1 1 1   51    1   19 o   8.1190   1.8830 0.8918000 3.766000 
1 1 1   51    1   20 o   21.400   0.8959 -2.603000 1.792000 
1 1 1   51    1   21 o   12.860   1.5290 1.355000 3.058000 
1 1 1   51    1   22 o   36.490   0.6737 -2.154000 1.347000 
1 1 1   51    1   23 o   17.830   1.1220 -0.1731000 2.244000 
1 1 1   51    1   24 f   22.040   0.9443 1.573000 1.889000 
1 1 1   51    1   25 o   14.460   1.4160 2.417000 2.833000 
1 1 1   51    1   26 o   7.5000   1.9150 2.757000 3.830000 
1 1 1   51    1   27 o   17.080   1.1860 -0.4172000 2.372000 
1 1 1   51    1   28 o   21.720   0.9387 2.709000 1.877000 
1 1 1   51    1   29 o   13.880   1.3460 -2.742000 2.692000 
1 1 1   51    1   30 o   12.980   1.3500 1.621000 2.700000 
1 1 1   51    1   31 o   10.550   1.5740 -2.211000 3.149000 
1 1 1   51    2    0 o   10.610   1.8500 -0.000000 0.000000 
1 1 1   51    2    1 o   28.970   0.5827 -1.953000 1.165000 
1 1 1   51    2    2 o   15.280   0.8767 0.2920000 1.753000 
1 1 1   51    2    3 o   53.570   0.6331 -1.800000 1.266000 
1 1 1   51    2    4 o   25.920   0.5999 1.827000 1.200000 
1 1 1   51    2    5 o   25.430   0.5938 0.5146000 1.188000 
1 1 1   51    2    6 o   7.9630   1.3030 -6.737000 2.606000 
1 1 1   51    2    7 o   55.490   0.6456 -4.580000 1.291000 
1 1 1   51    2    8 o   61.250   0.6948 -4.458000 1.390000 
1 1 1   51    2    9 o   34.250   0.5129 0.4081000 1.026000 
1 1 1   51    2   10 o   44.790   0.5286 2.927000 1.057000 
1 1 1   51    2   11 o   48.930   0.5514 0.8089000E-01 1.103000 
1 1 1   51    2   12 o   64.950   0.6653 -0.4700000E-02 1.331000 
1 1 1   51    2   13 o   16.350   0.8164 -3.381000 1.633000 
1 1 1   51    2   14 o   19.620   0.6980 -2.833000 1.396000 
1 1 1   51    2   15 o   27.610   0.5869 -1.218000 1.174000 
1 1 1   51    2   16 o   9.6210   1.3380 -0.5433000 2.676000 
1 1 1   51    2   17 o   18.710   0.7144 0.7370000 1.429000 
1 1 1   51    2   18 f   54.680   0.5514 4.598000 1.103000 
1 1 1   51    2   19 o   12.600   1.1980 2.800000 2.396000 
1 1 1   51    2   20 o   40.740   0.5286 3.237000 1.057000 
1 1 1   51    2   21 o   10.180   1.5640 5.537000 3.129000 
1 1 1   51    2   22 o   16.510   1.0310 -0.3702000 2.063000 
1 1 1   51    2   23 o   8.3100   1.6220 -6.701000 3.244000 
1 1 1   51    2   24 o   21.130   0.8337 -1.966000 1.667000 
1 1 1   51    2   25 o   17.230   1.0960 2.987000 2.193000 
1 1 1   51    2   26 o   8.8030   1.4290 -9.756000 2.859000 
1 1 1   51    2   27 o   6.6720   1.8460 3.014000 3.692000 
1 1 1   51    2   28 o   11.760   1.7040 0.5087000 3.407000 
1 1 1   51    2   29 o   15.020   1.2990 -3.282000 2.598000 
1 1 1   51    2   30 o   6.9330   1.6400 4.513000 3.281000 
1 1 1   51    2   31 o   13.120   1.2940 -1.404000 2.587000 
1 1 1   51    3    0 o   54.630   0.9093 -0.000000 0.000000 
1 1 1   51    3    1 o   8.3370   1.4940 3.684000 2.988000 
1 1 1   51    3    2 o   38.980   0.5536 -3.022000 1.107000 
1 1 1   51    3    3 o   23.250   0.6510 -1.206000 1.302000 
1 1 1   51    3    4 o   45.550   0.5814 -2.387000 1.163000 
1 1 1   51    3    5 o   16.980   0.8258 4.885000 1.652000 
1 1 1   51    3    6 o   81.880   0.8828 2.591000 1.766000 
1 1 1   51    3    7 o   59.430   0.6783 1.487000 1.357000 
1 1 1   51    3    8 o   17.040   0.8293 -1.144000 1.659000 
1 1 1   51    3    9 o   43.790   0.5760 -2.322000 1.152000 
1 1 1   51    3   10 o   25.600   0.6270 5.161000 1.254000 
1 1 1   51    3   11 o   40.510   0.5719 -2.684000 1.144000 
1 1 1   51    3   12 o   27.690   0.6049 -0.8053000 1.210000 
1 1 1   51    3   13 o   20.590   0.7406 2.463000 1.481000 
1 1 1   51    3   14 o   5.9150   1.6090 2.216000 3.218000 
1 1 1   51    3   15 o   16.160   1.0060 -4.356000 2.012000 
1 1 1   51    3   16 o   10.100   1.5630 -2.785000 3.126000 
1 1 1   51    3   17 o   11.290   2.1680      ?      ? 
1 1 1   51    3   18 o   28.130   0.6209 -1.996000 1.242000 
1 1 1   51    3   19 f   14.620   1.0880 -2.809000 2.177000 
1 1 1   51    3   20 o   35.210   0.5940 0.3462000 1.188000 
1 1 1   51    3   21 o   22.280   0.7859 -2.968000 1.572000 
1 1 1   51    3   22 o   6.0640   1.7340 -0.2652000 3.467000 
1 1 1   51    3   23 o   13.190   1.5380 6.168000 3.075000 
1 1 1   51    3   24 o   45.510   0.6177 0.7524000 1.235000 
1 1 1   51    3   25 o   7.8000   1.6290 4.086000 3.258000 
1 1 1   51    3   26 o   7.7540   1.7860 2.197000 3.572000 
1 1 1   51    3   27 f   9.6050   1.7700 1.170000 3.539000 
1 1 1   51    3   28 o   8.4540   1.7840 1.055000 3.568000 
1 1 1   51    3   29 o   9.2870   1.6610 1.926000 3.322000 
1 1 1   51    3   30 o   7.5890   1.6330 1.319000 3.265000 
1 1 1   51    3   31 o   7.4830   1.6500 -2.908000 3.300000 
1 1 1   51    4    0 o   22.100   0.9777 -0.000000 0.000000 
1 1 1   51    4    1 o   38.800   0.5703 -1.477000 1.141000 
1 1 1   51    4    2 o   18.040   0.8089 2.365000 1.618000 
1 1 1   51    4    3 o   65.160   0.7306 0.1173000 1.461000 
1 1 1   51    4    4 o   25.280   0.6235 -4.539000 1.247000 
1 1 1   51    4    5 o   37.150   0.5703 2.337000 1.141000 
1 1 1   51    4    6 o   19.710   0.7569 0.5888000 1.514000 
1 1 1   51    4    7 o   15.500   0.9313 3.240000 1.863000 
1 1 1   51    4    8 o   57.050   0.6659 -1.744000 1.332000 
1 1 1   51    4    9 o   25.620   0.6345 3.518000 1.269000 
1 1 1   51    4   10 o   24.760   0.6492 2.031000 1.298000 
1 1 1   51    4   11 o   37.070   0.5832 2.693000 1.166000 
1 1 1   51    4   12 o   12.440   1.2600 -4.875000 2.520000 
1 1 1   51    4   13 o   28.860   0.6245 -2.175000 1.249000 
1 1 1   51    4   14 o   55.410   0.6738 3.379000 1.348000 
1 1 1   51    4   15 o   20.620   0.8041 -2.063000 1.608000 
1 1 1   51    4   16 o   21.910   0.7994 -0.8702000 1.599000 
1 1 1   51    4   17 o   42.170   0.6345 0.3766000E-01 1.269000 
1 1 1   51    4   18 o   18.490   0.9763 -1.024000 1.953000 
1 1 1   51    4   19 o   16.300   1.1580 3.621000 2.316000 
1 1 1   51    4   20 o   29.030   0.7439 0.5446000 1.488000 
1 1 1   51    4   22 o   15.050   1.3020 -0.7799000 2.603000 
1 1 1   51    4   23 o   14.200   1.4180 -0.7738000 2.835000 
1 1 1   51    4   24 o   13.020   1.6020 -1.574000 3.203000 
1 1 1   51    4   25 o   9.5860   1.7920 3.289000 3.583000 
1 1 1   51    4   26 o   13.890   1.4090 0.4533000 2.817000 
1 1 1   51    4   27 o   6.3890   1.8380 -2.936000 3.677000 
1 1 1   51    4   28 o   8.7490   1.6900 -7.138000 3.381000 
1 1 1   51    4   29 o   6.6950   1.7940 -2.189000 3.587000 
1 1 1   51    4   30 f   11.170   1.5670 3.583000 3.135000 
1 1 1   51    4   31 o   7.8280   1.6990 -1.403000 3.398000 
1 1 1   51    5    0 o   67.760   1.0710 -0.000000 0.000000 
1 1 1   51    5    1 o   55.320   0.6561 -3.145000 1.312000 
1 1 1   51    5    2 o   50.720   0.6260 1.216000 1.252000 
1 1 1   51    5    3 o   24.120   0.6671 2.280000 1.334000 
1 1 1   51    5    4 f   14.320   1.0250 2.959000 2.050000 
1 1 1   51    5    5 o   48.350   0.6131 -2.931000 1.226000 
1 1 1   51    5    6 o   14.380   1.0090 -0.1795000 2.019000 
1 1 1   51    5    7 o   56.820   0.6696 -0.3214000 1.339000 
1 1 1   51    5    8 o   23.690   0.6669 -2.546000 1.334000 
1 1 1   51    5    9 o   7.0420   1.5890 -3.907000 3.177000 
1 1 1   51    5   10 f   43.350   0.5926 2.690000 1.185000 
1 1 1   51    5   11 o   10.610   1.4550 -2.715000 2.911000 
1 1 1   51    5   12 o   27.420   0.6627 -2.232000 1.325000 
1 1 1   51    5   13 o   33.100   0.6224 1.812000 1.245000 
1 1 1   51    5   14 o   43.920   0.6240 -0.2387000E-01 1.248000 
1 1 1   51    5   15 o   31.560   0.6534 -2.032000 1.307000 
1 1 1   51    5   16 o   45.770   0.6384 -0.2594000 1.277000 
1 1 1   51    5   17 o   38.470   0.6443 2.839000 1.289000 
1 1 1   51    5   18 o   6.7550   1.8430 0.4371000 3.685000 
1 1 1   51    5   19 o   47.420   0.6640 0.1260000 1.328000 
1 1 1   51    5   20 o   13.110   1.5730 -2.942000 3.146000 
1 1 1   51    5   21 o   33.560   0.7390 3.605000 1.478000 
1 1 1   51    5   22 o   15.070   1.4390 0.7538000 2.878000 
1 1 1   51    5   23 o   9.6870   1.6240 8.274000 3.248000 
1 1 1   51    5   24 o   22.090   1.0030 0.7268000 2.006000 
1 1 1   51    5   25 o   8.5030   2.0570 -0.9225000 4.114000 
1 1 1   51    5   26 o   19.810   1.0400 0.5159000 2.080000 
1 1 1   51    5   27 o   19.250   1.0360 -0.3237000 2.072000 
1 1 1   51    5   28 o   10.450   1.7770 -4.062000 3.555000 
1 1 1   51    5   29 o   15.680   1.2030 -1.246000 2.406000 
1 1 1   51    5   30 o   7.8050   1.7090 1.555000 3.417000 
1 1 1   51    6    0 o   17.850   1.2710 -0.000000 0.000000 
1 1 1   51    6    1 o   39.330   0.5896 3.436000 1.179000 
1 1 1   51    6    2 o   41.980   0.5941 -3.214000 1.188000 
1 1 1   51    6    3 o   34.240   0.6088 1.423000 1.218000 
1 1 1   51    6    4 o   8.9490   1.4460 -7.529000 2.891000 
1 1 1   51    6    5 o   43.370   0.6054 2.513000 1.211000 
1 1 1   51    6    6 o   6.2060   2.4260      ?      ? 
1 1 1   51    6    7 o   16.280   0.9542 1.496000 1.908000 
1 1 1   51    6    8 o   50.190   0.6321 2.458000 1.264000 
1 1 1   51    6    9 o   24.380   0.7028 -3.540000 1.406000 
1 1 1   51    6   10 o   7.3840   1.7620 1.206000 3.524000 
1 1 1   51    6   11 o   12.910   1.2500 -0.4465000 2.500000 
1 1 1   51    6   12 f   16.790   1.0150 -2.439000 2.030000 
1 1 1   51    6   13 o   6.0590   1.7470 -1.527000 3.493000 
1 1 1   51    6   14 o   54.040   0.6786 2.234000 1.357000 
1 1 1   51    6   15 o   16.490   1.1320 -1.440000 2.265000 
1 1 1   51    6   16 o   59.650   0.7227 1.102000 1.445000 
1 1 1   51    6   17 o   33.120   0.6952 -1.501000 1.390000 
1 1 1   51    6   18 o   38.890   0.6709 -3.331000 1.342000 
1 1 1   51    6   19 o   21.600   0.9903 1.854000 1.981000 
1 1 1   51    6   20 f   18.020   1.2160 1.180000 2.432000 
1 1 1   51    6   21 o   16.200   1.4650 3.867000 2.929000 
1 1 1   51    6   22 o   33.740   0.7762 1.361000 1.552000 
1 1 1   51    6   23 o   7.5220   1.9470 -4.614000 3.895000 
1 1 1   51    6   24 o   17.730   1.1940 -3.225000 2.388000 
1 1 1   51    6   25 o   10.420   1.9440 -1.256000 3.888000 
1 1 1   51    6   26 o   15.140   1.5060 3.807000 3.011000 
1 1 1   51    6   27 o   12.490   1.6580 -0.6968000 3.317000 
1 1 1   51    6   28 o   12.710   1.6040 -5.081000 3.209000 
1 1 1   51    6   29 o   10.910   2.1240      ?      ? 
1 1 1   51    6   30 o   5.2480   1.6550 -1.680000 3.310000 
1 1 1   51    7    0 o   22.180   1.0980 -0.000000 0.000000 
1 1 1   51    7    1 o   46.020   0.6222 -2.799000 1.244000 
1 1 1   51    7    2 o   38.440   0.6129 -3.478000 1.226000 
1 1 1   51    7    3 o   44.200   0.6237 0.1363000 1.247000 
1 1 1   51    7    4 f   24.330   0.7122 -0.3126000 1.424000 
1 1 1   51    7    5 o   27.730   0.6697 -1.091000 1.339000 
1 1 1   51    7    6 o   43.470   0.6203 -0.8614000 1.241000 
1 1 1   51    7    7 o   46.920   0.6261 -1.128000 1.252000 
1 1 1   51    7    8 o   35.020   0.6231 -5.457000 1.246000 
1 1 1   51    7    9 o   26.350   0.7097 -2.018000 1.419000 
1 1 1   51    7   10 o   45.300   0.6275 3.581000 1.255000 
1 1 1   51    7   11 o   64.370   0.7499 1.222000 1.500000 
1 1 1   51    7   12 o   24.150   0.8018 1.132000 1.604000 
1 1 1   51    7   13 o   16.260   1.1180 0.3236000 2.236000 
1 1 1   51    7   14 o   5.3170   1.6550 -2.025000 3.309000 
1 1 1   51    7   15 o   33.400   0.7005 -1.053000 1.401000 
1 1 1   51    7   16 o   60.140   0.7377 4.117000 1.475000 
1 1 1   51    7   17 o   23.270   0.9427 -3.313000 1.885000 
1 1 1   51    7   18 o   16.000   1.4030 4.768000 2.806000 
1 1 1   51    7   19 o   12.710   1.7570 5.429000 3.515000 
1 1 1   51    7   20 o   28.430   0.8791 -0.3754000 1.758000 
1 1 1   51    7   21 f   13.310   1.7640 -2.157000 3.529000 
1 1 1   51    7   22 o   14.570   1.6450 5.379000 3.289000 
1 1 1   51    7   23 o   9.3600   2.0810 -0.5667000 4.162000 
1 1 1   51    7   24 o   22.950   0.9907 -0.1092000 1.981000 
1 1 1   51    7   25 o   21.430   1.0580 -1.684000 2.115000 
1 1 1   51    7   26 o   5.9450   1.8410 -0.6198000 3.683000 
1 1 1   51    7   27 o   9.3360   2.0010 -1.093000 4.002000 
1 1 1   51    7   28 o   12.470   1.6640 1.656000 3.327000 
1 1 1   51    7   29 o   7.4980   1.7890 3.430000 3.578000 
1 1 1   51    7   30 f   6.4820   1.8750 0.6305000 3.750000 
1 1 1   51    8    0 o   29.510   0.9657 -0.000000 0.000000 
1 1 1   51    8    1 o   33.980   0.6450 0.1299000 1.290000 
1 1 1   51    8    2 o   55.150   0.6830 1.907000 1.366000 
1 1 1   51    8    3 o   19.980   0.9138 -2.922000 1.828000 
1 1 1   51    8    4 o   39.930   0.6292 -2.624000 1.258000 
1 1 1   51    8    5 o   39.990   0.6314 1.508000 1.263000 
1 1 1   51    8    6 f   9.1760   1.6560 5.761000 3.312000 
1 1 1   51    8    7 o   34.690   0.6585 0.4861000 1.317000 
1 1 1   51    8    8 o   31.480   0.6742 -2.160000 1.348000 
1 1 1   51    8    9 o   42.410   0.6404 1.036000 1.281000 
1 1 1   51    8   10 o   53.230   0.6798 4.111000 1.360000 
1 1 1   51    8   11 o   37.780   0.6684 0.7926000E-01 1.337000 
1 1 1   51    8   12 o   36.740   0.6803 -0.2632000 1.361000 
1 1 1   51    8   13 o   21.060   0.9804 0.5130000E-01 1.961000 
1 1 1   51    8   14 o   34.840   0.7040 -0.4230000 1.408000 
1 1 1   51    8   15 o   19.940   1.0710 1.847000 2.143000 
1 1 1   51    8   16 o   50.170   0.7099 -2.990000 1.420000 
1 1 1   51    8   17 o   47.370   0.7037 -0.2105000 1.407000 
1 1 1   51    8   18 o   7.0100   1.9970 1.900000 3.994000 
1 1 1   51    8   19 f   39.750   0.7396 0.9348000 1.479000 
1 1 1   51    8   20 o   18.370   1.2660 2.163000 2.531000 
1 1 1   51    8   21 o   7.4940   2.0460 -0.3264000 4.093000 
1 1 1   51    8   22 o   7.9700   1.9940 3.027000 3.988000 
1 1 1   51    8   23 o   19.020   1.2270 -2.328000 2.453000 
1 1 1   51    8   24 o   18.520   1.3250 3.433000 2.650000 
1 1 1   51    8   25 o   5.6790   1.8210 -1.015000 3.642000 
1 1 1   51    8   26 o   12.570   1.8220 5.632000 3.644000 
1 1 1   51    8   27 o   18.930   1.1930 1.076000 2.387000 
1 1 1   51    8   28 o   9.5780   1.9980 -0.9391000 3.995000 
1 1 1   51    8   29 o   7.5800   1.9690 0.2639000 3.939000 
1 1 1   51    9    0 o   21.040   1.2940 -0.000000 0.000000 
1 1 1   51    9    1 o   21.300   0.8915 4.489000 1.783000 
1 1 1   51    9    2 o   31.220   0.7051 -2.283000 1.410000 
1 1 1   51    9    3 o   15.600   1.2370 -2.855000 2.474000 
1 1 1   51    9    4 o   5.7080   1.7360 -1.054000 3.471000 
1 1 1   51    9    5 o   32.190   0.7002 2.059000 1.400000 
1 1 1   51    9    6 o   22.300   0.8747 1.314000 1.749000 
1 1 1   51    9    7 o   36.430   0.6737 -1.353000 1.347000 
1 1 1   51    9    8 o   19.050   1.0380 -0.1855000E-01 2.076000 
1 1 1   51    9    9 f   37.890   0.6842 1.356000 1.368000 
1 1 1   51    9   10 o   22.990   0.9091 -0.6788000 1.818000 
1 1 1   51    9   11 o   45.280   0.6750 1.695000 1.350000 
1 1 1   51    9   12 o   30.680   0.7827 -1.429000 1.565000 
1 1 1   51    9   13 o   10.430   1.9630 0.1579000 3.925000 
1 1 1   51    9   14 o   41.940   0.7130 -1.333000 1.426000 
1 1 1   51    9   15 o   25.890   0.9239 1.214000 1.848000 
1 1 1   51    9   16 o   31.800   0.8262 0.3254000 1.652000 
1 1 1   51    9   17 o   9.4360   2.0070 2.174000 4.014000 
1 1 1   51    9   18 o   54.250   0.6845 0.2879000 1.369000 
1 1 1   51    9   19 o   19.280   1.1790 -2.960000 2.358000 
1 1 1   51    9   20 o   16.050   1.5110 1.054000 3.022000 
1 1 1   51    9   21 o   11.410   2.0260 0.1697000 4.052000 
1 1 1   51    9   22 o   12.580   1.8810 -2.110000 3.762000 
1 1 1   51    9   23 o   12.720   1.8990 -1.400000 3.798000 
1 1 1   51    9   24 o   8.0700   2.0110 -5.490000 4.023000 
1 1 1   51    9   25 o   12.540   1.8850 2.808000 3.770000 
1 1 1   51    9   26 o   8.9650   2.1240 -1.258000 4.248000 
1 1 1   51    9   27 o   7.3040   1.9710 1.764000 3.943000 
1 1 1   51    9   28 o   10.310   1.9400 2.690000 3.880000 
1 1 1   51   10    0 o   13.020   2.2920 -0.000000 0.000000 
1 1 1   51   10    1 o   44.130   0.6790 -4.862000 1.358000 
1 1 1   51   10    2 o   32.610   0.7220 0.1764000 1.444000 
1 1 1   51   10    3 o   18.670   1.0720 1.323000 2.143000 
1 1 1   51   10    4 o   10.280   1.6700 7.785000 3.341000 
1 1 1   51   10    5 o   44.360   0.6828 2.889000 1.366000 
1 1 1   51   10    6 o   6.4180   1.8450 2.460000 3.691000 
1 1 1   51   10    7 o   24.200   0.9046 3.029000 1.809000 
1 1 1   51   10    8 o   19.160   1.1110 5.712000 2.223000 
1 1 1   51   10    9 o   49.400   0.7027 -3.755000 1.405000 
1 1 1   51   10   10 o   18.320   1.2110 0.4258000 2.422000 
1 1 1   51   10   11 o   20.120   1.1490 4.585000 2.299000 
1 1 1   51   10   12 o   16.640   1.3860 3.836000 2.772000 
1 1 1   51   10   13 o   14.500   1.5830 -0.1140000 3.165000 
1 1 1   51   10   14 o   26.200   0.8780 0.3357000 1.756000 
1 1 1   51   10   15 o   28.380   0.8404 -1.357000 1.681000 
1 1 1   51   10   16 o   10.960   2.0310 0.9710000E-01 4.062000 
1 1 1   51   10   17 o   52.060   0.6963 1.176000 1.393000 
1 1 1   51   10   18 o   8.5940   2.1350 -3.047000 4.269000 
1 1 1   51   10   19 o   10.420   2.0110 4.947000 4.022000 
1 1 1   51   10   20 f   19.650   1.2700 -1.840000 2.539000 
1 1 1   51   10   21 o   26.770   0.9651 0.2580000 1.930000 
1 1 1   51   10   22 o   17.490   1.4120 -1.075000 2.825000 
1 1 1   51   10   23 o   13.090   1.9170 4.797000 3.835000 
1 1 1   51   10   24 o   10.460   2.1660 -2.373000 4.331000 
1 1 1   51   10   25 o   13.630   1.8100 -0.5972000 3.620000 
1 1 1   51   10   26 o   10.380   2.0570 0.8501000 4.115000 
1 1 1   51   10   27 o   7.6950   2.0660 0.4095000 4.131000 
1 1 1   51   10   28 o   6.7080   1.9860 -1.982000 3.972000 
1 1 1   51   11    0 o   28.660   1.1810 -0.000000 0.000000 
1 1 1   51   11    1 o   31.600   0.7636 -2.970000 1.527000 
1 1 1   51   11    2 o   21.270   1.0400 -0.9639000 2.081000 
1 1 1   51   11    3 o   18.470   1.1870 0.1908000 2.374000 
1 1 1   51   11    4 o   21.750   1.0290 -0.5078000 2.057000 
1 1 1   51   11    5 f   39.200   0.7355 -2.603000 1.471000 
1 1 1   51   11    6 o   13.580   1.7260 1.531000 3.453000 
1 1 1   51   11    7 o   12.210   1.6980 -10.39000 3.396000 
1 1 1   51   11    8 o   27.160   0.8815 -2.306000 1.763000 
1 1 1   51   11    9 o   22.590   1.0610 0.8689000 2.122000 
1 1 1   51   11   10 o   26.800   0.9197 -2.235000 1.839000 
1 1 1   51   11   11 o   23.550   0.9497 -4.599000 1.899000 
1 1 1   51   11   12 o   19.090   1.2950 7.195000 2.590000 
1 1 1   51   11   13 o   40.030   0.7002 -3.958000 1.400000 
1 1 1   51   11   14 o   12.610   1.8740 -2.161000 3.748000 
1 1 1   51   11   15 o   22.920   1.5960      ?      ? 
1 1 1   51   11   16 o   27.260   0.9492 -2.244000 1.898000 
1 1 1   51   11   17 o   14.180   1.8220 4.514000 3.643000 
1 1 1   51   11   18 o   11.940   2.0770 -1.497000 4.153000 
1 1 1   51   11   19 o   12.530   2.0530 -1.734000 4.106000 
1 1 1   51   11   20 o   15.100   1.7960 5.244000 3.592000 
1 1 1   51   11   21 o   11.240   2.1330 3.418000 4.266000 
1 1 1   51   11   22 o   13.380   1.9140 -5.030000 3.829000 
1 1 1   51   11   23 o   17.040   1.5230 -0.9325000 3.045000 
1 1 1   51   11   24 o   15.780   1.6090 -1.469000 3.219000 
1 1 1   51   11   25 o   6.4290   1.9660 -1.624000 3.932000 
1 1 1   51   11   26 o   13.740   1.7700 -4.021000 3.540000 
1 1 1   51   11   27 o   12.760   1.8810 0.6532000 3.761000 
1 1 1   51   12    0 o   5.5310   2.5350 -0.000000 0.000000 
1 1 1   51   12    1 o   18.050   1.2550 -0.4473000 2.510000 
1 1 1   51   12    2 o   38.820   0.7461 -0.6200000E-01 1.492000 
1 1 1   51   12    3 o   23.900   1.0270 -1.503000 2.054000 
1 1 1   51   12    4 o   27.360   0.9149 -0.1806000 1.830000 
1 1 1   51   12    5 o   25.550   0.9805 -0.1418000E-01 1.961000 
1 1 1   51   12    6 o   12.430   1.9730 -2.393000 3.947000 
1 1 1   51   12    7 o   31.120   0.8720 1.251000 1.744000 
1 1 1   51   12    8 o   27.520   0.8769 -2.734000 1.754000 
1 1 1   51   12    9 o   28.680   0.8664 -2.386000 1.733000 
1 1 1   51   12   10 o   24.740   0.9966 -1.392000 1.993000 
1 1 1   51   12   11 o   28.650   0.8763 -0.4743000 1.753000 
1 1 1   51   12   12 o   12.910   1.9190 1.250000 3.838000 
1 1 1   51   12   13 o   24.900   1.0350 -0.9086000E-01 2.070000 
1 1 1   51   12   14 o   28.930   1.0880 2.807000 2.177000 
1 1 1   51   12   15 o   24.000   1.0840 -3.218000 2.168000 
1 1 1   51   12   16 o   20.180   1.2810 3.054000 2.562000 
1 1 1   51   12   17 o   26.850   1.0200 1.495000 2.040000 
1 1 1   51   12   18 o   19.550   1.3870 0.6662000 2.774000 
1 1 1   51   12   19 o   5.9570   1.9350 -0.8623000 3.870000 
1 1 1   51   12   20 o   13.800   1.9780 4.795000 3.956000 
1 1 1   51   12   21 o   10.720   2.1520 4.548000 4.304000 
1 1 1   51   12   22 o   8.9900   2.0970 -5.164000 4.194000 
1 1 1   51   12   23 o   8.5770   2.1660 2.124000 4.332000 
1 1 1   51   12   24 o   9.5180   2.1930 0.4733000 4.385000 
1 1 1   51   12   25 f   12.520   1.9380 5.593000 3.876000 
1 1 1   51   12   26 f   7.9140   2.1340 0.6928000 4.269000 
1 1 1   51   13    0 o   20.280   1.7790 -0.000000 0.000000 
1 1 1   51   13    1 o   14.320   1.7730 3.816000 3.546000 
1 1 1   51   13    2 o   16.990   1.5020 -1.157000 3.003000 
1 1 1   51   13    3 o   11.240   2.1310 -0.1399000 4.263000 
1 1 1   51   13    4 o   10.240   2.0040 3.947000 4.007000 
1 1 1   51   13    5 o   16.230   1.5160 -5.063000 3.032000 
1 1 1   51   13    6 o   12.840   1.8840 0.2398000 3.769000 
1 1 1   51   13    7 o   11.200   2.0380 -3.051000 4.076000 
1 1 1   51   13    8 o   38.200   0.7589 -0.7760000 1.518000 
1 1 1   51   13    9 o   24.470   1.0380 -4.608000 2.077000 
1 1 1   51   13   10 o   19.450   1.3080 -0.9174000E-01 2.616000 
1 1 1   51   13   11 o   11.360   2.1610 1.854000 4.322000 
1 1 1   51   13   12 o   21.440   1.2230 2.524000 2.446000 
1 1 1   51   13   13 o   31.760   0.9032 0.1643000 1.806000 
1 1 1   51   13   14 o   12.630   2.1170 -2.372000 4.234000 
1 1 1   51   13   15 o   8.9800   2.0190 6.278000 4.037000 
1 1 1   51   13   16 o   13.790   2.0380 1.966000 4.076000 
1 1 1   51   13   17 o   7.4960   2.1460 2.475000 4.291000 
1 1 1   51   13   18 o   11.090   2.2380 -3.532000 4.477000 
1 1 1   51   13   19 o   14.080   1.9430 -6.698000 3.885000 
1 1 1   51   13   20 o   9.3150   2.2740 -2.742000 4.548000 
1 1 1   51   13   21 o   9.1930   2.2630 -1.205000 4.526000 
1 1 1   51   13   22 o   9.4230   2.1730 3.400000 4.345000 
1 1 1   51   13   23 o   14.470   1.9100 3.496000 3.819000 
1 1 1   51   13   24 o   9.8720   2.0990 3.841000 4.197000 
1 1 1   51   13   25 o   7.0910   2.0700 -0.5168000 4.140000 
1 1 1   51   14    0 o   12.910   2.5660 -0.000000 0.000000 
1 1 1   51   14    1 o   7.6960   1.9790 -5.672000 3.958000 
1 1 1   51   14    2 o   25.700   1.0030 -0.6861000 2.006000 
1 1 1   51   14    3 o   11.930   2.0950 -0.7684000 4.190000 
1 1 1   51   14    4 o   33.670   0.8269 -3.613000 1.654000 
1 1 1   51   14    5 o   17.440   1.4640 -0.7274000 2.928000 
1 1 1   51   14    6 o   7.7720   2.1470 0.4810000 4.293000 
1 1 1   51   14    7 o   46.440   0.7379 1.697000 1.476000 
1 1 1   51   14    8 o   37.770   0.7963 -1.424000 1.593000 
1 1 1   51   14    9 o   9.6150   2.2060 2.619000 4.411000 
1 1 1   51   14   10 o   11.770   2.2000 -0.5837000 4.400000 
1 1 1   51   14   11 o   9.6700   2.1590 4.789000 4.318000 
1 1 1   51   14   12 o   6.8070   2.1000 -1.310000 4.200000 
1 1 1   51   14   13 o   16.230   1.7670 -2.305000 3.533000 
1 1 1   51   14   14 o   14.560   1.9650 0.5290000 3.931000 
1 1 1   51   14   15 o   6.7280   2.0820 -2.587000 4.164000 
1 1 1   51   14   16 f   24.570   1.2120 2.994000 2.424000 
1 1 1   51   14   17 o   14.860   2.0870 9.486000 4.174000 
1 1 1   51   14   18 o   15.260   1.9210 2.017000 3.842000 
1 1 1   51   14   19 o   12.640   2.1620 -3.592000 4.323000 
1 1 1   51   14   20 o   14.730   1.9610 4.531000 3.923000 
1 1 1   51   14   21 o   12.990   1.9010 9.924000 3.803000 
1 1 1   51   14   22 o   15.290   1.8800 5.645000 3.759000 
1 1 1   51   14   23 o   6.5340   2.0020 1.199000 4.004000 
1 1 1   51   14   24 o   6.0230   1.9320 -1.221000 3.864000 
1 1 1   51   15    0 o   20.240   1.7350 -0.000000 0.000000 
1 1 1   51   15    1 o   7.7430   2.0650 -3.118000 4.130000 
1 1 1   51   15    2 o   25.370   1.2870 7.192000 2.573000 
1 1 1   51   15    3 f   14.190   1.7750 -2.836000 3.550000 
1 1 1   51   15    4 o   14.040   1.8190 -1.202000 3.638000 
1 1 1   51   15    5 o   17.550   1.4690 4.424000 2.938000 
1 1 1   51   15    6 o   8.6760   2.2120 0.5219000 4.425000 
1 1 1   51   15    7 o   9.3780   2.2860 2.274000 4.572000 
1 1 1   51   15    8 o   13.610   2.0640 0.2057000 4.127000 
1 1 1   51   15    9 o   16.190   1.8270 1.227000 3.655000 
1 1 1   51   15   10 o   9.6770   2.3230 2.330000 4.647000 
1 1 1   51   15   11 o   10.590   2.3330 1.337000 4.667000 
1 1 1   51   15   12 o   11.460   2.3440 -0.2872000 4.688000 
1 1 1   51   15   13 o   15.550   1.8720 -0.3576000 3.744000 
1 1 1   51   15   14 o   19.150   1.6340 5.000000 3.268000 
1 1 1   51   15   15 o   7.3040   2.1810 -2.471000 4.361000 
1 1 1   51   15   16 o   7.9300   2.1870 2.558000 4.374000 
1 1 1   51   15   17 f   9.3960   2.3220 -3.402000 4.645000 
1 1 1   51   15   18 o   7.9500   2.2790 -0.8191000 4.558000 
1 1 1   51   15   19 o   8.8970   2.3390 0.2797000 4.678000 
1 1 1   51   15   20 o   5.7090   1.8900 0.3205000 3.779000 
1 1 1   51   15   21 o   10.030   2.2040 3.851000 4.408000 
1 1 1   51   15   22 o   8.1660   2.2140 1.255000 4.428000 
1 1 1   51   15   23 o   9.5350   2.1280 -6.463000 4.257000 
1 1 1   51   16    0 o   8.7110   3.2200 -0.000000 0.000000 
1 1 1   51   16    1 o   9.4430   2.2600 -0.8943000 4.521000 
1 1 1   51   16    2 f   15.450   1.7740 -3.446000 3.548000 
1 1 1   51   16    3 o   18.040   1.5040 2.983000 3.008000 
1 1 1   51   16    4 o   27.220   1.0020 -0.6435000 2.003000 
1 1 1   51   16    5 o   16.190   1.6400 0.8485000 3.279000 
1 1 1   51   16    6 o   8.5520   2.1100 -4.750000 4.219000 
1 1 1   51   16    7 o   8.5160   2.0610 5.301000 4.122000 
1 1 1   51   16    8 o   7.2030   2.1360 -1.322000 4.272000 
1 1 1   51   16    9 o   6.5300   2.0470 0.3183000 4.093000 
1 1 1   51   16   10 o   9.2820   2.3020 1.952000 4.604000 
1 1 1   51   16   11 o   17.390   1.6080 -1.215000 3.216000 
1 1 1   51   16   12 o   5.5390   1.8380 1.634000 3.675000 
1 1 1   51   16   13 o   16.090   1.7740 3.873000 3.548000 
1 1 1   51   16   14 o   10.740   2.1460 -5.288000 4.292000 
1 1 1   51   16   15 o   15.100   1.8620 3.268000 3.724000 
1 1 1   51   16   16 o   13.110   2.0970 -7.825000 4.194000 
1 1 1   51   16   17 o   6.5610   2.0340 -3.143000 4.068000 
1 1 1   51   16   18 o   8.2020   2.2560 2.150000 4.512000 
1 1 1   51   16   19 o   8.2420   2.1680 3.448000 4.337000 
1 1 1   51   16   20 o   12.980   2.1190 -0.8640000 4.237000 
1 1 1   51   16   21 o   7.4060   2.0890 2.893000 4.177000 
1 1 1   51   17    0 o   30.750   1.3620 -0.000000 0.000000 
1 1 1   51   17    1 o   12.750   2.0660 -6.952000 4.132000 
1 1 1   51   17    2 o   7.2750   2.0930 -3.297000 4.187000 
1 1 1   51   17    3 o   6.9840   2.1170 -1.064000 4.234000 
1 1 1   51   17    4 o   10.730   2.0920 -6.306000 4.184000 
1 1 1   51   17    5 o   9.3330   2.3120 1.382000 4.623000 
1 1 1   51   17    6 o   9.3190   2.2950 -1.159000 4.590000 
1 1 1   51   17    7 o   7.9450   2.2090 2.125000 4.419000 
1 1 1   51   17    8 o   9.5890   2.3180 1.986000 4.636000 
1 1 1   51   17    9 o   9.4150   2.3240 1.815000 4.647000 
1 1 1   51   17   10 o   18.330   1.5580 -1.171000 3.117000 
1 1 1   51   17   11 o   8.4300   2.3010 -0.5115000 4.602000 
1 1 1   51   17   12 o   7.6440   2.2140 1.686000 4.427000 
1 1 1   51   17   13 o   8.1410   2.2800 -0.1650000 4.560000 
1 1 1   51   17   14 o   7.6930   2.2080 1.855000 4.415000 
1 1 1   51   17   15 o   6.3030   2.0040 0.8479000 4.008000 
1 1 1   51   17   16 o   8.5740   2.2580 0.8233000 4.516000 
1 1 1   51   17   17 o   7.8920   2.0970 -3.540000 4.194000 
1 1 1   51   17   18 o   7.6000   2.1230 2.578000 4.246000 
1 1 1   51   17   19 o   7.2360   2.0030 4.216000 4.006000 
1 1 1   51   17   20 o   7.9590   2.2030 -1.360000 4.405000 
1 1 1   51   18    0 f   8.0310   3.2330 -0.000000 0.000000 
1 1 1   51   18    1 o   6.8250   2.0850 -2.409000 4.170000 
1 1 1   51   18    2 o   9.7330   2.3470 1.202000 4.694000 
1 1 1   51   18    3 o   21.070   1.3340 -1.035000 2.668000 
1 1 1   51   18    4 o   8.0970   2.2690 1.024000 4.538000 
1 1 1   51   18    5 o   10.920   2.2110 4.791000 4.422000 
1 1 1   51   18    6 o   12.780   2.1790 0.5490000 4.358000 
1 1 1   51   18    7 o   23.820   1.2110 4.258000 2.422000 
1 1 1   51   18    8 o   16.290   1.7380 -0.1894000E-01 3.475000 
1 1 1   51   18    9 o   10.520   2.2710 -3.601000 4.543000 
1 1 1   51   18   10 o   11.040   2.1380 -6.133000 4.277000 
1 1 1   51   18   11 o   10.670   2.3370 1.609000 4.675000 
1 1 1   51   18   12 o   11.990   2.2400 1.196000 4.479000 
1 1 1   51   18   13 o   6.7710   2.0930 0.6524000 4.186000 
1 1 1   51   18   14 f   9.5770   2.3050 0.7937000 4.611000 
1 1 1   51   18   15 o   10.190   1.9210 8.025000 3.841000 
1 1 1   51   18   16 o   6.3310   1.9750 -1.083000 3.951000 
1 1 1   51   18   17 o   7.4500   1.9700 -4.874000 3.939000 
1 1 1   51   18   18 o   5.3430   1.7880 1.080000 3.577000 
1 1 1   51   19    0 o   11.100   3.4180 -0.000000 0.000000 
1 1 1   51   19    1 o   9.3510   2.3570 1.952000 4.714000 
1 1 1   51   19    2 o   8.5540   2.1440 -5.147000 4.289000 
1 1 1   51   19    3 o   10.280   2.2480 -4.889000 4.495000 
1 1 1   51   19    4 o   8.1720   2.2890 -1.302000 4.578000 
1 1 1   51   19    5 o   11.100   2.2310 -5.436000 4.463000 
1 1 1   51   19    6 o   20.440   1.4350 0.6361000 2.869000 
1 1 1   51   19    7 o   8.0320   2.2740 -0.8996000 4.548000 
1 1 1   51   19    8 o   7.4880   2.1530 3.347000 4.306000 
1 1 1   51   19    9 o   5.9320   1.9360 -0.8087000 3.871000 
1 1 1   51   19   10 o   7.8400   2.2190 1.616000 4.437000 
1 1 1   51   19   11 o   6.4590   2.0220 2.490000 4.044000 
1 1 1   51   19   12 o   9.1340   2.3130 0.3671000 4.625000 
1 1 1   51   19   13 o   15.780   1.7750 3.594000 3.549000 
1 1 1   51   19   14 o   9.5670   2.1680 -4.368000 4.336000 
1 1 1   51   19   15 o   11.140   2.1630 2.973000 4.326000 
1 1 1   51   20    0 o   13.780   3.0880 -0.000000 0.000000 
1 1 1   51   20    1 o   9.2030   2.2940 -3.342000 4.589000 
1 1 1   51   20    2 o   10.070   2.3950 0.2741000E-01 4.790000 
1 1 1   51   20    3 o   9.5010   2.3420 -2.770000 4.685000 
1 1 1   51   20    4 o   10.700   2.2700 -4.405000 4.540000 
1 1 1   51   20    5 o   7.6190   2.2190 2.186000 4.438000 
1 1 1   51   20    6 o   9.0410   2.2960 2.857000 4.591000 
1 1 1   51   20    7 o   6.4240   1.9860 -3.548000 3.973000 
1 1 1   51   20    8 o   7.0710   2.1400 -0.3785000 4.279000 
1 1 1   51   20    9 o   7.7090   2.2020 -0.8060000 4.405000 
1 1 1   51   20   10 o   14.340   1.9430 5.220000 3.886000 
1 1 1   51   20   11 o   14.120   1.9610 -0.1613000 3.922000 
1 1 1   51   20   12 o   7.7420   2.2080 0.9167000 4.417000 
1 1 1   51   20   13 o   9.2100   2.3420 0.4339000 4.684000 
1 1 1   51   21    0 o   8.4380   3.2850 -0.000000 0.000000 
1 1 1   51   21    1 o   7.7620   2.2560 0.8087000E-01 4.512000 
1 1 1   51   21    2 o   7.7560   2.2290 2.097000 4.458000 
1 1 1   51   21    3 o   8.1800   2.2180 3.443000 4.436000 
1 1 1   51   21    4 o   7.4860   2.2060 -1.072000 4.412000 
1 1 1   51   21    5 o   7.8950   2.2210 -1.864000 4.442000 
1 1 1   51   21    6 o   5.7280   1.8850 -0.2197000 3.769000 
1 1 1   51   21    7 o   8.4440   2.2500 -1.020000 4.500000 
1 1 1   51   21    8 o   6.7380   1.9920 -3.642000 3.983000 
1 1 1   51   21    9 o   6.6630   2.0480 -1.433000 4.097000 
1 1 1   52    0    0 o   43.950   1.1640 -0.000000 0.000000 
1 1 1   52    0    1 o   8.0570   2.3140 -0.000000 0.000000 
1 1 1   52    0    2 o   12.580   1.6470 -0.000000 0.000000 
1 1 1   52    0    3 o   42.460   0.8278 -0.000000 0.000000 
1 1 1   52    0    4 o   47.560   0.8653 -0.000000 0.000000 
1 1 1   52    0    5 o   11.630   1.8130 -0.000000 0.000000 
1 1 1   52    0    6 o   22.360   0.9640 -0.000000 0.000000 
1 1 1   52    0    7 o   30.290   0.8318 -0.000000 0.000000 
1 1 1   52    0    8 o   31.070   0.8571 -0.000000 0.000000 
1 1 1   52    0    9 o   43.540   0.8480 -0.000000 0.000000 
1 1 1   52    0   10 o   4.9020   2.1540 -0.000000 0.000000 
1 1 1   52    0   11 o   15.270   1.4500 -0.000000 0.000000 
1 1 1   52    0   12 o   47.530   0.8743 -0.000000 0.000000 
1 1 1   52    0   13 o   41.900   0.8559 -0.000000 0.000000 
1 1 1   52    0   14 o   12.650   1.8820 -0.000000 0.000000 
1 1 1   52    0   15 f   7.3370   2.5830 -0.000000 0.000000 
1 1 1   52    0   16 o   33.820   0.8994 -0.000000 0.000000 
1 1 1   52    0   17 o   50.280   0.9329 -0.000000 0.000000 
1 1 1   52    0   18 o   33.430   0.9311 -0.000000 0.000000 
1 1 1   52    0   19 o   43.540   0.9108 -0.000000 0.000000 
1 1 1   52    0   20 o   12.380   2.0580 -0.000000 0.000000 
1 1 1   52    0   21 o   25.370   1.1940 -0.000000 0.000000 
1 1 1   52    0   22 o   4.6060   2.1810 -0.000000 0.000000 
1 1 1   52    0   23 o   26.220   1.1450 -0.000000 0.000000 
1 1 1   52    0   24 o   7.9120   2.8060 -0.000000 0.000000 
1 1 1   52    0   25 o   11.340   2.4750 -0.000000 0.000000 
1 1 1   52    0   26 o   27.610   1.0970 -0.000000 0.000000 
1 1 1   52    0   27 o   15.260   1.8560 -0.000000 0.000000 
1 1 1   52    0   28 o   6.3330   2.6120 -0.000000 0.000000 
1 1 1   52    0   29 o   7.9240   2.6400 -0.000000 0.000000 
1 1 1   52    0   30 o   14.450   1.6460 -0.000000 0.000000 
1 1 1   52    0   31 o   12.590   1.8860 -0.000000 0.000000 
1 1 1   52    1    0 o   35.550   0.6537 -0.000000 0.000000 
1 1 1   52    1    1 o   65.960   0.5982 -2.557000 1.196000 
1 1 1   52    1    2 o   23.850   0.5200 2.950000 1.040000 
1 1 1   52    1    3 o   61.000   0.5655 1.398000 1.131000 
1 1 1   52    1    4 o   42.040   0.4627 -1.735000 0.9255000 
1 1 1   52    1    5 o   39.890   0.4586 -3.138000 0.9172000 
1 1 1   52    1    6 o   37.870   0.4597 0.3408000E-01 0.9194000 
1 1 1   52    1    7 o   40.030   0.5201 1.090000 1.040000 
1 1 1   52    1    8 o   30.670   0.4695 -5.065000 0.9389000 
1 1 1   52    1    9 o   5.9950   1.5160 0.1272000 3.033000 
1 1 1   52    1   10 o   16.920   0.7238 1.720000 1.448000 
1 1 1   52    1   11 o   16.300   0.7364 0.6838000 1.473000 
1 1 1   52    1   12 o   16.890   0.8219 0.8879000 1.644000 
1 1 1   52    1   13 o   58.280   0.6220 1.648000 1.244000 
1 1 1   52    1   14 o   22.080   0.6582 -2.492000 1.316000 
1 1 1   52    1   15 o   20.030   0.7442 -0.2126000 1.488000 
1 1 1   52    1   16 o   23.770   0.6661 2.371000 1.332000 
1 1 1   52    1   17 o   70.750   0.7271 -3.109000 1.454000 
1 1 1   52    1   18 o   31.710   0.5811 0.9490000 1.162000 
1 1 1   52    1   19 o   29.140   0.7272 4.105000 1.454000 
1 1 1   52    1   20 o   11.370   1.6480 -0.7833000 3.297000 
1 1 1   52    1   21 f   30.990   0.7490 3.840000 1.498000 
1 1 1   52    1   22 o   32.510   0.7107 -0.4515000 1.421000 
1 1 1   52    1   23 o   13.950   1.4440 0.9709000 2.887000 
1 1 1   52    1   24 o   30.320   0.7600 1.722000 1.520000 
1 1 1   52    1   25 f   5.4080   1.7120 -1.003000 3.424000 
1 1 1   52    1   26 o   9.5030   1.9410 -0.6608000 3.881000 
1 1 1   52    1   27 f   7.0660   1.8530 -3.379000 3.706000 
1 1 1   52    1   28 o   14.380   1.5210 6.845000 3.042000 
1 1 1   52    1   29 o   19.420   0.9849 -1.953000 1.970000 
1 1 1   52    1   30 o   13.550   1.2880 -1.892000 2.575000 
1 1 1   52    1   31 o   9.2170   1.5890 -6.267000 3.179000 
1 1 1   52    2    0 o   50.380   0.8607 -0.000000 0.000000 
1 1 1   52    2    1 o   46.670   0.5859 -1.848000 1.172000 
1 1 1   52    2    2 o   42.550   0.5688 -2.434000 1.138000 
1 1 1   52    2    3 o   31.640   0.5600 -0.9485000 1.120000 
1 1 1   52    2    4 o   8.5330   1.5530 -2.727000 3.106000 
1 1 1   52    2    5 o   46.110   0.5864 -3.715000 1.173000 
1 1 1   52    2    6 o   15.290   0.9558 5.654000 1.912000 
1 1 1   52    2    7 o   39.930   0.5572 0.4478000 1.114000 
1 1 1   52    2    8 o   30.610   0.5268 -0.4412000 1.054000 
1 1 1   52    2    9 o   60.530   0.6304 -0.5007000 1.261000 
1 1 1   52    2   10 o   24.020   0.6084 1.972000 1.217000 
1 1 1   52    2   11 o   15.320   0.9146 2.875000 1.829000 
1 1 1   52    2   12 o   24.930   0.5884 -4.209000 1.177000 
1 1 1   52    2   13 o   26.010   0.5842 -4.134000 1.168000 
1 1 1   52    2   14 o   31.960   0.5451 -1.817000 1.090000 
1 1 1   52    2   15 f   40.840   0.4922 -3.430000 0.9844000 
1 1 1   52    2   16 o   29.720   0.5269 -0.3110000 1.054000 
1 1 1   52    2   17 o   35.330   0.5040 -0.2462000E-01 1.008000 
1 1 1   52    2   18 o   32.830   0.5374 1.246000 1.075000 
1 1 1   52    2   19 o   61.200   0.5936 2.340000 1.187000 
1 1 1   52    2   20 o   10.450   1.5740 -0.3694000 3.148000 
1 1 1   52    2   21 o   21.090   0.8213 -0.4329000 1.643000 
1 1 1   52    2   22 o   4.5390   1.4910 -0.2430000 2.982000 
1 1 1   52    2   23 o   12.980   1.4070 -7.585000 2.814000 
1 1 1   52    2   24 o   9.4490   1.7090 3.123000 3.418000 
1 1 1   52    2   25 o   30.420   0.6685 -2.029000 1.337000 
1 1 1   52    2   26 o   21.110   0.8360 -5.088000 1.672000 
1 1 1   52    2   27 o   6.8870   1.9440 -0.4845000 3.887000 
1 1 1   52    2   28 o   15.380   1.3320 -1.235000 2.664000 
1 1 1   52    2   29 o   9.9820   1.8100 1.061000 3.620000 
1 1 1   52    2   30 o   11.950   1.5130 -1.332000 3.026000 
1 1 1   52    2   31 o   5.8640   1.7120 1.092000 3.423000 
1 1 1   52    3    0 o   32.280   0.8068 -0.000000 0.000000 
1 1 1   52    3    1 o   34.140   0.5629 -0.6632000 1.126000 
1 1 1   52    3    2 o   21.500   0.6849 -1.332000 1.370000 
1 1 1   52    3    3 o   32.600   0.5632 -1.165000 1.126000 
1 1 1   52    3    4 o   27.590   0.5979 -2.664000 1.196000 
1 1 1   52    3    5 o   20.510   0.7082 -1.728000 1.416000 
1 1 1   52    3    6 o   74.140   0.8135 -7.540000 1.627000 
1 1 1   52    3    7 o   11.200   1.2830 -1.886000 2.566000 
1 1 1   52    3    8 o   30.360   0.5774 2.225000 1.155000 
1 1 1   52    3    9 o   24.030   0.6540 0.8303000 1.308000 
1 1 1   52    3   10 o   32.090   0.5832 4.116000 1.166000 
1 1 1   52    3   11 o   15.940   0.9241 1.030000 1.848000 
1 1 1   52    3   12 o   33.780   0.5975 6.475000 1.195000 
1 1 1   52    3   13 o   20.560   0.7648 -0.9421000 1.530000 
1 1 1   52    3   14 o   13.840   1.1350 2.537000 2.269000 
1 1 1   52    3   15 o   27.810   0.6593 0.1449000 1.319000 
1 1 1   52    3   16 o   23.930   0.7278 -3.322000 1.456000 
1 1 1   52    3   17 o   59.350   0.7039 -2.689000 1.408000 
1 1 1   52    3   18 o   27.600   0.6513 -1.012000 1.303000 
1 1 1   52    3   19 o   40.700   0.5813 -3.651000 1.163000 
1 1 1   52    3   20 o   27.190   0.6771 -0.9729000 1.354000 
1 1 1   52    3   21 o   13.170   1.3610 0.8360000 2.722000 
1 1 1   52    3   22 o   19.990   0.9061 -0.5271000 1.812000 
1 1 1   52    3   23 o   14.760   1.2720 0.6987000E-02 2.544000 
1 1 1   52    3   24 o   24.680   0.8273 2.995000 1.655000 
1 1 1   52    3   25 o   9.4000   1.7350 -1.292000 3.471000 
1 1 1   52    3   26 o   13.100   1.3970 -0.9725000 2.795000 
1 1 1   52    3   27 o   14.430   1.2920 0.1572000 2.583000 
1 1 1   52    3   28 o   14.030   1.2790 -0.5624000 2.558000 
1 1 1   52    3   29 o   21.540   0.8199 -0.1585000 1.640000 
1 1 1   52    3   30 o   12.730   1.2570 -0.1822000 2.514000 
1 1 1   52    3   31 o   4.9010   1.4960 -0.2952000 2.992000 
1 1 1   52    4    0 o   29.640   0.8397 -0.000000 0.000000 
1 1 1   52    4    1 o   33.720   0.5698 -3.586000 1.140000 
1 1 1   52    4    2 o   57.840   0.6715 -3.664000 1.343000 
1 1 1   52    4    3 o   27.900   0.6105 -7.258000 1.221000 
1 1 1   52    4    4 o   20.900   0.7401 6.167000 1.480000 
1 1 1   52    4    5 o   31.800   0.5807 -1.161000 1.161000 
1 1 1   52    4    6 o   22.270   0.7089 -6.544000 1.418000 
1 1 1   52    4    7 o   35.500   0.5644 -1.620000 1.129000 
1 1 1   52    4    8 o   25.230   0.6474 -6.067000 1.295000 
1 1 1   52    4    9 o   39.270   0.5760 0.5375000 1.152000 
1 1 1   52    4   10 o   8.8770   1.5240 4.057000 3.047000 
1 1 1   52    4   11 o   10.570   1.4180 0.3116000E-02 2.836000 
1 1 1   52    4   12 o   28.540   0.6288 4.398000 1.258000 
1 1 1   52    4   13 o   44.980   0.6105 -3.455000 1.221000 
1 1 1   52    4   14 o   57.490   0.6846 -1.180000 1.369000 
1 1 1   52    4   15 o   14.210   1.1890 0.5223000 2.378000 
1 1 1   52    4   16 o   35.930   0.6340 3.110000 1.268000 
1 1 1   52    4   17 o   32.050   0.6600 1.832000 1.320000 
1 1 1   52    4   18 o   35.680   0.6536 0.7171000 1.307000 
1 1 1   52    4   19 f   60.200   0.7219 0.2911000 1.444000 
1 1 1   52    4   20 o   24.980   0.8187 -0.8203000 1.637000 
1 1 1   52    4   21 o   21.040   0.9923 2.935000 1.985000 
1 1 1   52    4   22 o   34.020   0.7069 -1.078000 1.414000 
1 1 1   52    4   23 o   19.630   1.0530 -1.530000 2.105000 
1 1 1   52    4   24 f   21.990   0.8918 -1.569000 1.784000 
1 1 1   52    4   25 o   38.210   0.6420 -0.1240000 1.284000 
1 1 1   52    4   26 o   16.480   1.2630 3.344000 2.526000 
1 1 1   52    4   27 o   8.4690   1.9280 -2.825000 3.856000 
1 1 1   52    4   28 o   15.250   1.2500 -2.906000 2.500000 
1 1 1   52    4   29 o   5.7020   1.7170 -1.900000 3.434000 
1 1 1   52    4   30 o   10.410   1.6100 3.317000 3.220000 
1 1 1   52    4   31 o   11.200   1.9980 3.857000 3.997000 
1 1 1   52    5    0 o   44.160   0.8459 -0.000000 0.000000 
1 1 1   52    5    1 o   19.470   0.7990 -2.862000 1.598000 
1 1 1   52    5    2 o   19.570   0.8150 5.022000 1.630000 
1 1 1   52    5    3 o   35.200   0.5812 -1.195000 1.162000 
1 1 1   52    5    4 o   15.290   0.9619 -2.280000 1.924000 
1 1 1   52    5    5 o   45.830   0.6040 1.563000 1.208000 
1 1 1   52    5    6 o   14.200   1.0340 -0.7263000E-01 2.069000 
1 1 1   52    5    7 o   41.470   0.5898 3.008000 1.180000 
1 1 1   52    5    8 o   22.010   0.7164 -2.270000 1.433000 
1 1 1   52    5    9 f   41.600   0.5879 1.891000 1.176000 
1 1 1   52    5   10 o   60.260   0.7005 3.714000 1.401000 
1 1 1   52    5   11 o   27.130   0.6585 -7.362000 1.317000 
1 1 1   52    5   12 o   36.010   0.6144 -0.8088000E-01 1.229000 
1 1 1   52    5   13 o   9.1050   1.6080 4.715000 3.216000 
1 1 1   52    5   14 o   22.920   0.7875 -0.4571000 1.575000 
1 1 1   52    5   15 o   22.860   0.8074 -3.647000 1.615000 
1 1 1   52    5   16 o   22.760   0.8319 -1.054000 1.664000 
1 1 1   52    5   17 o   20.060   0.9611 1.102000 1.922000 
1 1 1   52    5   18 o   17.660   1.1400 4.931000 2.280000 
1 1 1   52    5   19 o   28.030   0.7698 4.024000 1.540000 
1 1 1   52    5   20 o   40.700   0.6856 1.275000 1.371000 
1 1 1   52    5   21 f   27.940   0.8250 2.076000 1.650000 
1 1 1   52    5   22 o   25.800   0.8822 1.119000 1.764000 
1 1 1   52    5   23 o   13.630   1.7170 4.320000 3.434000 
1 1 1   52    5   24 o   28.390   0.8335 1.044000 1.667000 
1 1 1   52    5   25 o   17.420   1.2330 -1.502000 2.466000 
1 1 1   52    5   26 o   12.060   1.7280 7.937000 3.455000 
1 1 1   52    5   27 o   8.2230   1.9480 -1.861000 3.897000 
1 1 1   52    5   28 o   8.6770   1.9260 -1.834000 3.852000 
1 1 1   52    5   29 o   7.3350   1.7360 1.697000 3.472000 
1 1 1   52    5   30 o   17.550   1.0540 2.663000 2.108000 
1 1 1   52    6    0 o   26.760   0.9097 -0.000000 0.000000 
1 1 1   52    6    1 o   42.950   0.5992 0.8096000 1.198000 
1 1 1   52    6    2 o   6.3590   1.6340 -3.298000 3.267000 
1 1 1   52    6    3 o   34.850   0.6035 -0.1912000E-01 1.207000 
1 1 1   52    6    4 f   51.300   0.6439 -6.831000 1.288000 
1 1 1   52    6    5 o   13.640   1.1690 -1.158000 2.339000 
1 1 1   52    6    6 o   35.980   0.5927 -2.016000 1.185000 
1 1 1   52    6    7 o   20.220   0.8249 3.445000 1.650000 
1 1 1   52    6    8 o   24.570   0.7250 2.857000 1.450000 
1 1 1   52    6    9 o   27.970   0.6475 -4.030000 1.295000 
1 1 1   52    6   10 o   17.290   0.9536 -1.679000 1.907000 
1 1 1   52    6   11 o   11.540   1.4520 -3.289000 2.904000 
1 1 1   52    6   12 o   26.420   0.7162 4.731000 1.432000 
1 1 1   52    6   13 o   26.650   1.0490      ?      ? 
1 1 1   52    6   14 o   56.910   0.7024 -0.9972000 1.405000 
1 1 1   52    6   15 o   48.110   0.6621 -1.845000 1.324000 
1 1 1   52    6   16 o   17.360   1.1230 -1.883000 2.246000 
1 1 1   52    6   17 o   36.130   0.6833 0.4872000 1.367000 
1 1 1   52    6   18 o   18.020   1.1350 4.530000 2.269000 
1 1 1   52    6   19 o   26.650   0.8301 -1.162000 1.660000 
1 1 1   52    6   20 o   18.060   1.2560 3.564000 2.512000 
1 1 1   52    6   21 o   29.170   0.8336 -1.133000 1.667000 
1 1 1   52    6   22 o   28.380   0.8673 2.492000 1.735000 
1 1 1   52    6   23 o   12.190   1.9190 0.6645000 3.838000 
1 1 1   52    6   24 o   14.170   1.6650 0.2718000 3.331000 
1 1 1   52    6   25 o   13.620   1.6570 1.197000 3.313000 
1 1 1   52    6   26 o   13.900   1.5140 -2.589000 3.028000 
1 1 1   52    6   27 o   9.0950   1.5720 7.436000 3.143000 
1 1 1   52    6   28 o   10.810   1.8230 -1.169000 3.647000 
1 1 1   52    6   29 o   6.5550   1.8330 0.7482000 3.666000 
1 1 1   52    6   30 o   7.1010   1.7730 1.888000 3.547000 
1 1 1   52    7    0 o   6.8450   2.5360 -0.000000 0.000000 
1 1 1   52    7    1 o   27.390   0.6663 0.4363000 1.333000 
1 1 1   52    7    2 o   18.390   0.9362 -0.3132000 1.872000 
1 1 1   52    7    3 o   37.950   0.6208 -2.182000 1.242000 
1 1 1   52    7    4 o   10.650   1.5610 -4.560000 3.123000 
1 1 1   52    7    5 o   25.380   0.7202 -1.427000 1.440000 
1 1 1   52    7    6 o   18.020   0.9711 6.634000 1.942000 
1 1 1   52    7    7 o   11.830   1.4240 1.235000 2.849000 
1 1 1   52    7    8 o   16.530   1.0490 2.567000 2.098000 
1 1 1   52    7    9 o   15.810   1.0710 -1.677000 2.142000 
1 1 1   52    7   10 o   18.800   0.9800 5.214000 1.960000 
1 1 1   52    7   11 o   9.7470   1.7790 -1.463000 3.558000 
1 1 1   52    7   12 o   40.690   0.6379 2.845000 1.276000 
1 1 1   52    7   13 o   20.290   0.9222 0.1470000 1.844000 
1 1 1   52    7   14 o   33.890   0.6828 -3.805000 1.366000 
1 1 1   52    7   15 o   72.480   0.8321 -0.4031000 1.664000 
1 1 1   52    7   16 f   10.800   1.7770 -5.498000 3.553000 
1 1 1   52    7   17 o   26.760   0.8510 0.5071000 1.702000 
1 1 1   52    7   18 o   35.970   0.7268 -0.5416000 1.454000 
1 1 1   52    7   19 o   10.870   1.9700 -2.602000 3.939000 
1 1 1   52    7   20 o   39.130   0.7433 -2.813000 1.487000 
1 1 1   52    7   21 o   20.510   1.1830 -0.6505000 2.366000 
1 1 1   52    7   22 o   12.770   1.8710 1.091000 3.742000 
1 1 1   52    7   23 o   19.780   1.1400 -2.637000 2.280000 
1 1 1   52    7   24 o   16.930   1.3310 -0.2503000 2.661000 
1 1 1   52    7   25 o   10.150   1.9610 3.038000 3.922000 
1 1 1   52    7   26 o   12.110   1.7690 -6.592000 3.538000 
1 1 1   52    7   27 o   11.890   1.6950 8.153000 3.390000 
1 1 1   52    7   28 o   14.190   1.5710 4.749000 3.143000 
1 1 1   52    7   29 o   6.4220   1.8280 -3.679000 3.655000 
1 1 1   52    8    0 o   6.7540   2.5770 -0.000000 0.000000 
1 1 1   52    8    1 o   21.780   0.8545 3.091000 1.709000 
1 1 1   52    8    2 o   61.620   0.7294 1.819000 1.459000 
1 1 1   52    8    3 o   16.880   1.0670 -3.957000 2.134000 
1 1 1   52    8    4 o   33.730   0.6552 2.228000 1.310000 
1 1 1   52    8    5 o   14.620   1.2570 0.3655000 2.514000 
1 1 1   52    8    6 o   24.810   0.7884 0.8896000 1.577000 
1 1 1   52    8    7 o   36.650   0.6545 -1.782000 1.309000 
1 1 1   52    8    8 f   10.600   1.6880 4.820000 3.375000 
1 1 1   52    8    9 o   15.460   1.2240 3.224000 2.448000 
1 1 1   52    8   10 o   32.190   0.6890 -2.749000 1.378000 
1 1 1   52    8   11 o   22.100   0.9115 1.068000 1.823000 
1 1 1   52    8   12 o   14.100   1.4680 -5.470000 2.936000 
1 1 1   52    8   13 o   30.280   0.7595 -0.7126000 1.519000 
1 1 1   52    8   14 f   6.3860   1.8710 1.431000 3.742000 
1 1 1   52    8   15 o   17.360   1.2440 1.665000 2.487000 
1 1 1   52    8   16 o   12.620   1.7530 2.182000 3.506000 
1 1 1   52    8   17 o   46.230   0.7101 0.5651000 1.420000 
1 1 1   52    8   18 o   20.770   1.1210 0.5422000 2.241000 
1 1 1   52    8   19 o   21.880   1.0930 1.988000 2.185000 
1 1 1   52    8   20 o   11.060   1.8900 4.684000 3.780000 
1 1 1   52    8   21 o   11.880   1.9350 2.242000 3.870000 
1 1 1   52    8   22 o   30.300   0.8384 1.809000 1.677000 
1 1 1   52    8   23 o   6.7660   1.9830 -2.624000 3.967000 
1 1 1   52    8   24 o   13.730   1.7490 0.2477000 3.497000 
1 1 1   52    8   25 o   13.190   1.8250 1.719000 3.650000 
1 1 1   52    8   26 o   7.9560   2.0700 0.3673000 4.139000 
1 1 1   52    8   27 o   10.720   1.9410 2.043000 3.881000 
1 1 1   52    8   28 o   12.050   1.7730 -0.7491000 3.545000 
1 1 1   52    8   29 o   8.6120   1.9800 -3.270000 3.960000 
1 1 1   52    9    0 o   13.440   2.0000 -0.000000 0.000000 
1 1 1   52    9    1 f   14.130   1.3490 -1.687000 2.699000 
1 1 1   52    9    2 o   9.1640   1.7020 -5.899000 3.403000 
1 1 1   52    9    3 f   45.110   0.6587 -0.3443000 1.317000 
1 1 1   52    9    4 o   20.620   0.9393 2.758000 1.879000 
1 1 1   52    9    5 o   27.090   0.7784 -2.970000 1.557000 
1 1 1   52    9    6 o   40.490   0.6610 -3.635000 1.322000 
1 1 1   52    9    7 o   16.270   1.3000 -7.400000 2.600000 
1 1 1   52    9    8 o   22.530   0.8820 -1.777000 1.764000 
1 1 1   52    9    9 o   45.340   0.6681 -0.2290000 1.336000 
1 1 1   52    9   10 o   42.590   0.6764 -1.765000 1.353000 
1 1 1   52    9   11 o   48.140   0.6909 -4.387000 1.382000 
1 1 1   52    9   12 o   42.930   0.7030 1.285000 1.406000 
1 1 1   52    9   13 o   30.110   0.8041 -0.5716000 1.608000 
1 1 1   52    9   14 o   27.550   0.8591 -0.5925000 1.718000 
1 1 1   52    9   15 o   19.780   1.2070 6.174000 2.414000 
1 1 1   52    9   16 o   8.0930   1.9510 5.309000 3.902000 
1 1 1   52    9   17 o   28.380   0.8965 0.3562000 1.793000 
1 1 1   52    9   18 o   17.290   1.4210 5.073000 2.842000 
1 1 1   52    9   19 o   4.9950   1.6760 -1.061000 3.353000 
1 1 1   52    9   20 o   16.340   1.4800 -4.785000 2.961000 
1 1 1   52    9   21 o   12.760   1.8980 4.249000 3.797000 
1 1 1   52    9   22 o   12.110   2.6550      ?      ? 
1 1 1   52    9   23 o   8.5150   2.1490 -0.2125000 4.297000 
1 1 1   52    9   24 o   22.660   1.0770 -2.627000 2.153000 
1 1 1   52    9   25 o   9.3490   1.8390 6.607000 3.679000 
1 1 1   52    9   26 o   11.820   1.9500 -0.1823000 3.899000 
1 1 1   52    9   27 o   5.0740   1.6940 -1.716000 3.387000 
1 1 1   52    9   28 o   7.8320   2.0580 -2.154000 4.116000 
1 1 1   52   10    0 o   35.130   0.9840 -0.000000 0.000000 
1 1 1   52   10    1 f   22.490   0.9412 1.012000 1.882000 
1 1 1   52   10    2 o   38.020   0.6789 -0.2827000 1.358000 
1 1 1   52   10    3 o   7.3280   1.9310 1.955000 3.863000 
1 1 1   52   10    4 o   24.080   0.8938 0.3409000 1.788000 
1 1 1   52   10    5 o   12.940   1.6120 -1.187000 3.223000 
1 1 1   52   10    6 o   26.880   0.8436 2.112000 1.687000 
1 1 1   52   10    7 o   40.040   0.7058 1.387000 1.412000 
1 1 1   52   10    8 o   55.110   0.7255 0.2103000 1.451000 
1 1 1   52   10    9 o   47.790   0.7117 -4.858000 1.423000 
1 1 1   52   10   10 o   42.870   0.7187 -3.020000 1.437000 
1 1 1   52   10   11 o   25.870   0.9120 0.5936000 1.824000 
1 1 1   52   10   12 o   44.480   0.7266 1.210000 1.453000 
1 1 1   52   10   13 o   14.670   1.6030 -2.436000 3.205000 
1 1 1   52   10   14 o   30.570   0.8568 1.021000 1.714000 
1 1 1   52   10   15 o   13.290   1.7530 5.684000 3.506000 
1 1 1   52   10   16 f   29.230   0.8498 1.665000 1.700000 
1 1 1   52   10   17 o   29.700   0.8606 -0.6380000 1.721000 
1 1 1   52   10   18 o   8.7780   2.1380 2.657000 4.276000 
1 1 1   52   10   19 o   11.460   2.0580 2.004000 4.116000 
1 1 1   52   10   20 o   15.370   1.6470 1.005000 3.294000 
1 1 1   52   10   21 o   26.240   0.9716 2.348000 1.943000 
1 1 1   52   10   22 o   6.4850   1.9260 2.495000 3.852000 
1 1 1   52   10   23 o   21.580   1.1870 2.152000 2.374000 
1 1 1   52   10   24 o   19.690   1.2580 -0.6579000 2.515000 
1 1 1   52   10   25 o   15.100   1.7050 5.024000 3.410000 
1 1 1   52   10   26 o   14.120   1.7620 6.375000 3.523000 
1 1 1   52   10   27 o   10.140   2.1050 -0.2874000 4.210000 
1 1 1   52   10   28 o   8.0540   2.1980 2.005000 4.397000 
1 1 1   52   11    0 o   14.130   2.1920 -0.000000 0.000000 
1 1 1   52   11    1 o   17.480   1.2700 -5.466000 2.541000 
1 1 1   52   11    2 o   34.170   0.7446 0.4588000 1.489000 
1 1 1   52   11    3 o   31.900   0.7999 -2.035000 1.600000 
1 1 1   52   11    4 o   22.070   1.0250 0.2818000 2.050000 
1 1 1   52   11    5 o   41.040   0.7242 -3.092000 1.448000 
1 1 1   52   11    6 f   32.590   0.7991 0.4298000 1.598000 
1 1 1   52   11    7 o   60.630   0.7695 3.320000 1.539000 
1 1 1   52   11    8 o   15.800   1.4770 -0.8051000 2.953000 
1 1 1   52   11    9 o   17.160   1.9400      ?      ? 
1 1 1   52   11   10 o   15.810   2.0740      ?      ? 
1 1 1   52   11   11 o   10.620   2.1280 0.1057000 4.256000 
1 1 1   52   11   12 o   23.910   0.9577 -1.416000 1.915000 
1 1 1   52   11   13 o   32.680   0.7883 -0.4314000 1.577000 
1 1 1   52   11   14 o   8.1860   2.1180 0.9064000 4.236000 
1 1 1   52   11   15 f   44.310   0.7085 0.2021000 1.417000 
1 1 1   52   11   16 o   22.070   1.1440 -3.320000 2.287000 
1 1 1   52   11   17 o   11.190   2.1080 -1.526000 4.215000 
1 1 1   52   11   18 o   8.3590   2.1360 3.273000 4.272000 
1 1 1   52   11   19 o   10.770   2.0630 5.304000 4.127000 
1 1 1   52   11   20 o   7.0280   2.0980 -1.001000 4.197000 
1 1 1   52   11   21 o   9.5180   2.1160 -5.656000 4.231000 
1 1 1   52   11   22 o   12.820   2.0220 -0.6552000 4.044000 
1 1 1   52   11   23 o   13.450   1.9370 3.466000 3.875000 
1 1 1   52   11   24 o   11.860   2.0430 1.732000 4.086000 
1 1 1   52   11   25 o   12.120   1.9700 -1.064000 3.940000 
1 1 1   52   11   26 o   11.810   2.0170 -0.1264000 4.034000 
1 1 1   52   11   27 o   18.490   1.3240 0.1648000 2.649000 
1 1 1   52   12    0 o   30.450   1.1990 -0.000000 0.000000 
1 1 1   52   12    1 o   39.840   0.7536 -1.483000 1.507000 
1 1 1   52   12    2 o   5.3350   1.7500 1.158000 3.500000 
1 1 1   52   12    3 o   19.620   1.2490 0.3981000 2.499000 
1 1 1   52   12    4 o   7.4810   2.0600 1.564000 4.121000 
1 1 1   52   12    5 o   22.290   1.1020 0.5373000 2.203000 
1 1 1   52   12    6 o   15.610   1.6350 7.072000 3.270000 
1 1 1   52   12    7 o   14.250   1.7580 5.307000 3.515000 
1 1 1   52   12    8 o   36.900   0.7999 -1.503000 1.600000 
1 1 1   52   12    9 o   17.190   1.4080 1.990000 2.815000 
1 1 1   52   12   10 o   19.140   1.2460 -0.2579000 2.491000 
1 1 1   52   12   11 o   28.890   0.8965 -4.654000 1.793000 
1 1 1   52   12   12 o   26.250   0.9784 -1.541000 1.957000 
1 1 1   52   12   13 o   19.440   1.2950 -1.266000 2.590000 
1 1 1   52   12   14 o   33.330   0.8536 2.525000 1.707000 
1 1 1   52   12   15 o   18.580   1.4200 -1.189000 2.840000 
1 1 1   52   12   16 o   12.270   2.0240 5.805000 4.048000 
1 1 1   52   12   17 o   6.8420   2.0970 0.1388000 4.193000 
1 1 1   52   12   18 o   17.150   1.6110 1.989000 3.222000 
1 1 1   52   12   19 o   12.990   2.0220 4.078000 4.044000 
1 1 1   52   12   20 o   14.290   1.8910 -2.145000 3.782000 
1 1 1   52   12   21 o   21.220   1.3100 1.764000 2.621000 
1 1 1   52   12   22 o   7.4480   2.1180 -2.701000 4.237000 
1 1 1   52   12   23 o   14.650   1.7930 -0.1509000 3.585000 
1 1 1   52   12   24 o   7.1810   1.8980 4.210000 3.795000 
1 1 1   52   12   25 o   11.460   2.0980 -1.732000 4.195000 
1 1 1   52   12   26 o   8.1750   2.1350 -2.186000 4.269000 
1 1 1   52   13    0 o   31.110   1.2410 -0.000000 0.000000 
1 1 1   52   13    1 o   15.400   1.6470 1.140000 3.294000 
1 1 1   52   13    2 o   18.260   1.3910 -1.478000 2.782000 
1 1 1   52   13    3 o   20.460   1.3380 -6.321000 2.676000 
1 1 1   52   13    4 o   10.570   2.1630 3.138000 4.325000 
1 1 1   52   13    5 o   22.050   1.0930 1.381000 2.186000 
1 1 1   52   13    6 o   30.960   0.8446 -0.1502000 1.689000 
1 1 1   52   13    7 o   28.030   0.8968 1.867000 1.794000 
1 1 1   52   13    8 o   16.570   1.4500 -2.780000 2.900000 
1 1 1   52   13    9 o   18.270   1.3520 -5.117000 2.704000 
1 1 1   52   13   10 o   9.6480   2.1940 1.665000 4.388000 
1 1 1   52   13   11 o   9.8360   2.2650 0.2954000 4.530000 
1 1 1   52   13   12 o   29.560   0.9381 -3.778000 1.876000 
1 1 1   52   13   13 o   34.920   0.8575 2.355000 1.715000 
1 1 1   52   13   14 o   8.7570   2.2430 1.849000 4.486000 
1 1 1   52   13   15 o   21.400   1.2820 0.2610000 2.564000 
1 1 1   52   13   16 o   8.1110   2.2070 -3.341000 4.414000 
1 1 1   52   13   17 o   16.670   1.7000 -0.9011000 3.400000 
1 1 1   52   13   18 o   13.440   2.0410 -4.344000 4.082000 
1 1 1   52   13   19 f   8.4450   2.2700 -0.2994000 4.540000 
1 1 1   52   13   20 o   10.250   2.2720 -3.319000 4.543000 
1 1 1   52   13   21 o   12.040   2.1540 0.2963000 4.308000 
1 1 1   52   13   22 o   7.4750   2.1270 1.695000 4.254000 
1 1 1   52   13   23 o   9.2380   2.2530 0.7614000 4.507000 
1 1 1   52   13   24 o   8.6500   2.1620 -3.771000 4.324000 
1 1 1   52   13   25 o   6.8640   1.9840 -4.085000 3.968000 
1 1 1   52   14    0 o   30.960   1.3570 -0.000000 0.000000 
1 1 1   52   14    1 o   15.670   1.7070 5.784000 3.413000 
1 1 1   52   14    2 o   21.330   1.1890 -0.3946000 2.378000 
1 1 1   52   14    3 o   12.840   1.9610 -6.433000 3.923000 
1 1 1   52   14    4 o   23.530   1.1180 -0.3168000 2.236000 
1 1 1   52   14    5 o   18.130   1.4300 0.8746000 2.859000 
1 1 1   52   14    6 o   22.340   1.1800 -0.8817000 2.360000 
1 1 1   52   14    7 o   8.2160   2.2170 -1.421000 4.434000 
1 1 1   52   14    8 o   28.240   0.9946 2.233000 1.989000 
1 1 1   52   14    9 o   22.590   1.2380 2.893000 2.476000 
1 1 1   52   14   10 o   11.090   1.9690 7.956000 3.938000 
1 1 1   52   14   11 f   30.050   0.9747 1.067000 1.949000 
1 1 1   52   14   12 o   13.470   2.0720 2.550000 4.144000 
1 1 1   52   14   13 o   14.430   1.9760 6.369000 3.952000 
1 1 1   52   14   14 o   7.7580   2.2490 -0.8150000 4.498000 
1 1 1   52   14   15 o   8.1080   2.2760 -2.154000 4.552000 
1 1 1   52   14   16 o   21.060   1.3440 -0.8173000 2.688000 
1 1 1   52   14   17 o   7.1380   2.1380 -2.865000 4.275000 
1 1 1   52   14   18 o   8.8970   2.1600 -5.870000 4.320000 
1 1 1   52   14   19 o   9.2470   2.3190 -2.525000 4.637000 
1 1 1   52   14   20 f   6.9550   2.1310 0.2533000 4.261000 
1 1 1   52   14   21 o   7.7780   2.2240 -0.1484000E-02 4.449000 
1 1 1   52   14   22 o   8.7560   2.1650 3.327000 4.331000 
1 1 1   52   14   23 o   11.220   2.0920 -6.240000 4.183000 
1 1 1   52   14   24 o   9.1190   2.2210 1.754000 4.441000 
1 1 1   52   15    0 o   50.800   0.9823 -0.000000 0.000000 
1 1 1   52   15    1 o   20.820   1.1960 0.1211000 2.393000 
1 1 1   52   15    2 f   24.710   1.0390 0.9568000 2.079000 
1 1 1   52   15    3 o   26.230   0.9839 1.385000 1.968000 
1 1 1   52   15    4 o   25.850   1.0130 -3.492000 2.027000 
1 1 1   52   15    5 o   12.490   2.1810 -0.9945000 4.363000 
1 1 1   52   15    6 o   9.9940   2.3400 -0.9686000 4.680000 
1 1 1   52   15    7 o   5.9230   1.9320 0.9710000 3.864000 
1 1 1   52   15    8 o   25.320   1.5300      ?      ? 
1 1 1   52   15    9 o   7.7550   2.2310 1.002000 4.462000 
1 1 1   52   15   10 o   10.680   2.2360 4.420000 4.473000 
1 1 1   52   15   11 o   18.080   1.6530 -5.981000 3.306000 
1 1 1   52   15   12 o   19.030   1.5530 -0.4606000 3.107000 
1 1 1   52   15   13 o   9.9690   2.3280 -3.983000 4.656000 
1 1 1   52   15   14 f   11.540   2.3450 1.245000 4.690000 
1 1 1   52   15   15 o   16.510   1.8080 -0.3677000 3.615000 
1 1 1   52   15   16 o   8.5630   2.3230 0.5956000E-01 4.646000 
1 1 1   52   15   17 o   8.0910   2.2980 0.5641000 4.597000 
1 1 1   52   15   18 o   11.560   2.3250 1.285000 4.650000 
1 1 1   52   15   19 o   9.1790   2.2450 -4.983000 4.489000 
1 1 1   52   15   20 o   7.5610   2.2010 -0.3205000 4.402000 
1 1 1   52   15   21 o   8.9760   2.2800 -0.7405000 4.561000 
1 1 1   52   15   22 o   6.9770   2.0670 1.672000 4.134000 
1 1 1   52   16    0 o   10.360   3.1590 -0.000000 0.000000 
1 1 1   52   16    1 o   23.520   1.1510 -2.718000 2.302000 
1 1 1   52   16    2 o   11.490   2.1880 1.397000 4.377000 
1 1 1   52   16    3 o   15.480   1.9170 -0.5622000 3.833000 
1 1 1   52   16    4 o   10.410   2.2630 1.282000 4.525000 
1 1 1   52   16    5 o   7.6840   2.1820 0.7322000E-01 4.364000 
1 1 1   52   16    6 o   16.710   1.6530 1.125000 3.306000 
1 1 1   52   16    7 o   7.3470   2.1730 0.9645000 4.345000 
1 1 1   52   16    8 f   13.420   2.0200 -2.932000 4.040000 
1 1 1   52   16    9 o   11.150   2.0960 -5.839000 4.192000 
1 1 1   52   16   10 o   20.660   1.3250 -0.9028000E-01 2.649000 
1 1 1   52   16   11 o   13.750   2.0160 -0.3847000 4.033000 
1 1 1   52   16   12 f   10.920   2.1870 -4.038000 4.375000 
1 1 1   52   16   13 o   10.640   2.4170 -1.033000 4.834000 
1 1 1   52   16   14 o   12.220   2.3280 -0.3044000 4.657000 
1 1 1   52   16   15 o   20.250   1.5020 -4.272000 3.004000 
1 1 1   52   16   16 o   10.620   2.2630 4.086000 4.525000 
1 1 1   52   16   17 o   8.5810   2.1740 4.372000 4.348000 
1 1 1   52   16   18 o   12.340   2.2280 1.861000 4.456000 
1 1 1   52   16   19 o   9.9210   2.2960 -1.569000 4.591000 
1 1 1   52   16   20 o   8.3030   2.1310 3.927000 4.262000 
1 1 1   52   16   21 o   7.7740   2.0980 3.467000 4.195000 
1 1 1   52   17    0 o   36.800   1.1950 -0.000000 0.000000 
1 1 1   52   17    1 o   18.840   1.5260 -2.845000 3.051000 
1 1 1   52   17    2 o   11.880   2.2730 0.2557000 4.546000 
1 1 1   52   17    3 f   18.170   1.5360 -0.5086000 3.072000 
1 1 1   52   17    4 o   5.8270   1.9170 0.6434000 3.834000 
1 1 1   52   17    5 o   15.510   1.8920 -7.226000 3.784000 
1 1 1   52   17    6 o   11.060   2.2240 3.929000 4.449000 
1 1 1   52   17    7 o   15.330   1.8720 1.984000 3.744000 
1 1 1   52   17    8 o   12.560   2.1600 -0.9707000 4.319000 
1 1 1   52   17    9 o   29.260   0.9816 -1.909000 1.963000 
1 1 1   52   17   10 o   8.7000   2.2840 -2.066000 4.568000 
1 1 1   52   17   11 o   7.1500   2.1100 3.119000 4.219000 
1 1 1   52   17   12 o   7.8120   2.2390 1.149000 4.479000 
1 1 1   52   17   13 o   9.4190   2.1570 -5.087000 4.315000 
1 1 1   52   17   14 o   12.890   2.0260 8.087000 4.051000 
1 1 1   52   17   15 o   6.1280   1.9770 0.2734000 3.955000 
1 1 1   52   17   16 o   7.8830   2.0570 4.846000 4.114000 
1 1 1   52   17   17 o   12.290   1.9260 7.944000 3.851000 
1 1 1   52   17   18 o   6.0080   1.9070 1.835000 3.813000 
1 1 1   52   17   19 o   7.0600   1.9420 5.005000 3.884000 
1 1 1   52   18    0 f   10.110   3.3760 -0.000000 0.000000 
1 1 1   52   18    1 o   10.520   2.2630 7.055000 4.525000 
1 1 1   52   18    2 o   13.700   2.0330 1.006000 4.066000 
1 1 1   52   18    3 o   8.1990   2.0330 6.291000 4.065000 
1 1 1   52   18    4 o   6.6030   2.0610 0.1428000 4.121000 
1 1 1   52   18    5 o   17.470   1.6340 -4.394000 3.268000 
1 1 1   52   18    6 o   12.040   2.2100 -3.248000 4.421000 
1 1 1   52   18    7 o   22.000   1.2880 -0.4794000 2.576000 
1 1 1   52   18    8 o   28.520   1.0190 -0.6359000 2.039000 
1 1 1   52   18    9 o   9.2670   2.3310 -1.540000 4.661000 
1 1 1   52   18   10 o   14.010   1.9860 -9.311000 3.973000 
1 1 1   52   18   11 o   14.060   2.0240 -2.139000 4.049000 
1 1 1   52   18   12 o   9.2590   2.2910 3.505000 4.582000 
1 1 1   52   18   13 o   7.8870   2.1420 -3.657000 4.284000 
1 1 1   52   18   14 o   7.8930   2.2090 -1.275000 4.419000 
1 1 1   52   18   15 o   7.7750   2.1580 2.295000 4.316000 
1 1 1   52   18   16 o   7.2870   2.1020 2.477000 4.203000 
1 1 1   52   18   17 o   7.6770   2.1540 0.7571000 4.308000 
1 1 1   52   19    0 o   17.810   2.3790 -0.000000 0.000000 
1 1 1   52   19    1 o   7.1200   2.1740 0.5262000 4.347000 
1 1 1   52   19    2 f   18.650   1.5540 -0.3243000 3.109000 
1 1 1   52   19    3 o   7.2020   2.1870 0.4245000 4.373000 
1 1 1   52   19    4 o   9.1830   2.3830 -0.7137000 4.765000 
1 1 1   52   19    5 o   10.500   2.2450 4.630000 4.491000 
1 1 1   52   19    6 o   10.570   2.2010 5.720000 4.403000 
1 1 1   52   19    7 o   10.730   2.2180 5.469000 4.437000 
1 1 1   52   19    8 o   10.140   2.3390 -1.570000 4.679000 
1 1 1   52   19    9 o   8.1860   2.2720 0.2621000 4.544000 
1 1 1   52   19   10 o   9.8300   2.3000 2.407000 4.599000 
1 1 1   52   19   11 f   9.6570   2.3160 -1.216000 4.633000 
1 1 1   52   19   12 o   6.8970   2.1020 -0.4994000 4.204000 
1 1 1   52   19   13 o   12.960   2.0830 0.9658000 4.165000 
1 1 1   52   19   14 o   6.9000   2.0770 2.122000 4.155000 
1 1 1   52   19   15 o   8.3650   2.2090 -0.7509000 4.419000 
1 1 1   52   20    0 o   13.220   3.1050 -0.000000 0.000000 
1 1 1   52   20    1 o   4.9850   1.7230 0.6444000 3.446000 
1 1 1   52   20    2 o   7.2120   2.1410 3.075000 4.282000 
1 1 1   52   20    3 o   6.8160   2.0930 2.894000 4.185000 
1 1 1   52   20    4 o   8.1740   2.2850 1.954000 4.570000 
1 1 1   52   20    5 o   6.9240   2.0850 -3.044000 4.170000 
1 1 1   52   20    6 o   8.6490   2.2130 4.133000 4.426000 
1 1 1   52   20    7 o   7.0830   2.1010 -2.878000 4.201000 
1 1 1   52   20    8 o   7.1930   2.1530 -1.537000 4.306000 
1 1 1   52   20    9 o   7.6400   2.1660 2.612000 4.332000 
1 1 1   52   20   10 o   6.9520   2.0650 3.096000 4.130000 
1 1 1   52   20   11 f   8.5750   2.2190 3.159000 4.438000 
1 1 1   52   20   12 o   8.4000   2.2540 -1.383000 4.507000 
1 1 1   52   21    0 o   8.8640   3.2940 -0.000000 0.000000 
1 1 1   52   21    1 o   10.020   2.1390 -6.562000 4.277000 
1 1 1   52   21    2 o   7.0620   2.1400 1.503000 4.279000 
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1 1 1   53    1    9 o   36.460   0.4682 0.7529000 0.9364000 
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1 1 1   53    1   19 o   36.120   0.6625 0.7015000E-02 1.325000 
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1 1 1   53    1   26 o   9.4660   1.6860 7.374000 3.372000 
1 1 1   53    1   27 o   20.690   1.0150 -0.2309000 2.030000 
1 1 1   53    1   28 o   15.330   1.3800 -3.497000 2.760000 
1 1 1   53    1   29 o   5.3050   1.6810 -0.8320000E-01 3.362000 
1 1 1   53    1   30 o   5.8350   1.6980 -1.835000 3.397000 
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1 1 1   53    2    0 o   4.0560   1.9100 -0.000000 0.000000 
1 1 1   53    2    1 o   43.640   0.5825 3.945000 1.165000 
1 1 1   53    2    2 o   42.210   0.5701 0.8829000 1.140000 
1 1 1   53    2    3 o   35.480   0.5566 -0.6233000 1.113000 
1 1 1   53    2    4 o   25.970   0.6173 -0.2694000 1.235000 
1 1 1   53    2    5 o   21.880   0.6867 1.435000 1.373000 
1 1 1   53    2    6 o   25.620   0.6354 7.569000 1.271000 
1 1 1   53    2    7 o   44.900   0.5797 3.718000 1.159000 
1 1 1   53    2    8 o   82.100   0.8126 -3.192000 1.625000 
1 1 1   53    2    9 o   6.3050   1.5750 -2.410000 3.150000 
1 1 1   53    2   10 o   14.130   0.9636 0.5503000 1.927000 
1 1 1   53    2   11 o   63.400   0.6554 2.504000 1.311000 
1 1 1   53    2   12 o   68.530   0.7006 -3.689000 1.401000 
1 1 1   53    2   13 o   65.350   0.6744 0.2541000 1.349000 
1 1 1   53    2   14 o   22.050   0.6120 -2.526000 1.224000 
1 1 1   53    2   15 o   36.520   0.5001 -0.8731000 1.000000 
1 1 1   53    2   16 o   16.710   0.8867 5.280000 1.773000 
1 1 1   53    2   17 o   30.430   0.5475 0.9707000 1.095000 
1 1 1   53    2   18 o   39.540   0.5219 1.646000 1.044000 
1 1 1   53    2   19 o   18.720   0.8137 1.077000 1.627000 
1 1 1   53    2   20 o   24.000   0.7318 -1.575000 1.464000 
1 1 1   53    2   21 o   7.3610   1.8290 -1.149000 3.657000 
1 1 1   53    2   22 o   5.4080   1.6340 -3.959000 3.268000 
1 1 1   53    2   23 o   16.900   1.0510 -5.692000 2.103000 
1 1 1   53    2   24 o   19.080   0.9558 -1.858000 1.912000 
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1 1 1   53    2   26 o   4.8420   1.5610 -2.483000 3.122000 
1 1 1   53    2   27 o   14.300   1.5010 3.070000 3.002000 
1 1 1   53    2   28 o   9.9890   1.8750 -3.522000 3.751000 
1 1 1   53    2   29 o   12.080   1.6510 1.914000 3.303000 
1 1 1   53    2   30 o   11.850   1.5230 -2.376000 3.046000 
1 1 1   53    2   31 o   8.0390   1.7410 -3.978000 3.482000 
1 1 1   53    3    0 o   14.810   1.3850 -0.000000 0.000000 
1 1 1   53    3    1 o   37.910   0.5611 0.1060000 1.122000 
1 1 1   53    3    2 o   14.600   1.0990 -7.366000 2.197000 
1 1 1   53    3    3 o   18.810   0.7858 1.259000 1.572000 
1 1 1   53    3    4 o   15.500   0.9566 1.947000 1.913000 
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1 1 1   53    3    6 o   43.650   0.5824 -0.9615000 1.165000 
1 1 1   53    3    7 o   66.000   0.7382 0.5607000 1.476000 
1 1 1   53    3    8 o   18.050   0.8833 6.597000 1.767000 
1 1 1   53    3    9 o   36.610   0.5712 -2.885000 1.142000 
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1 1 1   53    3   12 f   54.350   0.6559 0.6209000 1.312000 
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1 1 1   53    3   16 o   29.220   0.6752 0.3190000 1.350000 
1 1 1   53    3   17 o   23.520   0.7999 4.662000 1.600000 
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1 1 1   53    3   23 f   38.960   0.6236 -2.631000 1.247000 
1 1 1   53    3   24 o   22.280   0.8072 2.415000 1.614000 
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1 1 1   53    3   27 o   6.9600   1.7830 1.793000 3.566000 
1 1 1   53    3   28 o   8.1340   1.7690 1.792000 3.538000 
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1 1 1   53    4    2 o   73.910   0.8138 2.612000 1.628000 
1 1 1   53    4    3 o   12.710   1.2710 -6.478000 2.542000 
1 1 1   53    4    4 o   29.930   0.6006 -7.331000 1.201000 
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1 1 1   53    4    6 o   11.690   1.3230 4.244000 2.647000 
1 1 1   53    4    7 o   10.650   1.4290 -3.205000 2.858000 
1 1 1   53    4    8 o   84.300   0.9115 1.311000 1.823000 
1 1 1   53    4    9 o   30.810   0.6068 2.487000 1.214000 
1 1 1   53    4   10 o   22.980   0.7161 3.445000 1.432000 
1 1 1   53    4   11 o   55.950   0.6672 -2.118000 1.334000 
1 1 1   53    4   12 o   40.550   0.6050 -6.321000 1.210000 
1 1 1   53    4   13 o   53.550   0.6629 -2.693000 1.326000 
1 1 1   53    4   14 o   41.180   0.6121 -2.545000 1.224000 
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1 1 1   53    4   17 o   40.530   0.6359 1.122000 1.272000 
1 1 1   53    4   18 o   12.320   1.5160 -2.222000 3.032000 
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1 1 1   53    5    2 o   34.270   0.5964 -4.876000 1.193000 
1 1 1   53    5    3 o   44.350   0.8439      ?      ? 
1 1 1   53    5    4 o   8.4190   1.6360 2.709000 3.272000 
1 1 1   53    5    5 o   43.820   0.6005 6.289000 1.201000 
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1 1 1   53    5   15 o   51.810   0.6696 0.5054000 1.339000 
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1 1 1   53    5   26 o   18.990   1.1920 3.586000 2.385000 
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1 1 1   53    6    5 o   21.610   0.7866 3.590000 1.573000 
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1 1 1   53    7    9 o   71.020   0.7996 -0.9427000 1.599000 
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1 1 1   53    7   23 o   12.210   1.7850 7.024000 3.570000 
1 1 1   53    7   24 o   20.780   1.1390 3.151000 2.277000 
1 1 1   53    7   25 o   10.250   1.6740 8.197000 3.349000 
1 1 1   53    7   26 o   20.920   1.1160 4.516000 2.232000 
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1 1 1   53    8    4 o   47.670   0.6457 1.032000 1.291000 
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1 1 1   53    8    6 o   18.330   0.9863 1.295000 1.973000 
1 1 1   53    8    7 o   33.900   0.6848 0.8883000 1.370000 
1 1 1   53    8    8 o   56.090   0.7014 1.331000 1.403000 
1 1 1   53    8    9 o   25.810   0.7790 0.3690000 1.558000 
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1 1 1   53    8   14 o   15.600   1.3800 1.582000 2.760000 
1 1 1   53    8   15 o   16.950   1.4130 -6.257000 2.826000 
1 1 1   53    8   16 o   31.040   0.8130 -0.3039000 1.626000 
1 1 1   53    8   17 o   11.790   1.8940 -4.293000 3.787000 
1 1 1   53    8   18 o   7.5520   2.0730 1.654000 4.147000 
1 1 1   53    8   19 o   48.960   0.7349 2.164000 1.470000 
1 1 1   53    8   20 o   15.480   1.6660 5.848000 3.332000 
1 1 1   53    8   21 o   13.140   1.8130 0.9332000 3.626000 
1 1 1   53    8   22 o   9.6410   1.8740 -7.544000 3.748000 
1 1 1   53    8   23 o   19.170   1.2630 1.131000 2.526000 
1 1 1   53    8   24 o   9.7130   2.1370 -1.364000 4.275000 
1 1 1   53    8   25 o   10.320   2.0810 0.5322000E-01 4.161000 
1 1 1   53    8   26 o   9.8850   2.0320 2.606000 4.063000 
1 1 1   53    8   27 o   12.510   1.7880 -1.835000 3.575000 
1 1 1   53    8   28 o   7.9440   1.9970 0.7480000 3.993000 
1 1 1   53    8   29 o   8.8010   1.9830 1.502000 3.966000 
1 1 1   53    9    0 o   30.730   1.0080 -0.000000 0.000000 
1 1 1   53    9    1 o   19.470   0.9642 2.771000 1.928000 
1 1 1   53    9    2 o   37.170   0.6829 0.6886000 1.366000 
1 1 1   53    9    3 o   12.380   1.5910 -5.857000 3.182000 
1 1 1   53    9    4 o   27.020   0.7657 -6.201000 1.531000 
1 1 1   53    9    5 o   47.250   0.6780 -0.6139000 1.356000 
1 1 1   53    9    6 o   25.920   0.8295 5.457000 1.659000 
1 1 1   53    9    7 o   48.830   0.6809 -4.382000 1.362000 
1 1 1   53    9    8 o   39.320   0.6844 1.126000 1.369000 
1 1 1   53    9    9 o   20.980   0.9925 -1.089000 1.985000 
1 1 1   53    9   10 o   25.660   0.8418 1.260000 1.684000 
1 1 1   53    9   11 o   33.230   0.7556 2.037000 1.511000 
1 1 1   53    9   12 o   43.990   0.7007 3.521000 1.401000 
1 1 1   53    9   13 o   40.480   0.7134 -0.4714000E-01 1.427000 
1 1 1   53    9   14 o   28.330   0.8553 -1.654000 1.711000 
1 1 1   53    9   15 o   48.960   0.7240 -1.380000 1.448000 
1 1 1   53    9   16 o   21.880   1.1370 -0.6492000 2.274000 
1 1 1   53    9   17 o   20.460   1.2490 -2.263000 2.498000 
1 1 1   53    9   18 o   13.940   1.6980 3.795000 3.397000 
1 1 1   53    9   19 o   22.670   1.0490 0.7493000E-01 2.098000 
1 1 1   53    9   20 o   13.160   1.8110 -6.038000 3.622000 
1 1 1   53    9   21 o   7.8110   2.0690 -3.606000 4.138000 
1 1 1   53    9   22 o   17.200   1.4390 0.9854000 2.878000 
1 1 1   53    9   23 o   10.270   2.1050 1.916000 4.210000 
1 1 1   53    9   24 o   9.7800   2.1800 -2.196000 4.359000 
1 1 1   53    9   25 o   17.520   1.3670 -1.954000 2.735000 
1 1 1   53    9   26 o   18.870   1.2330 -2.733000 2.466000 
1 1 1   53    9   27 o   6.6150   1.9510 -2.794000 3.902000 
1 1 1   53    9   28 o   9.3560   2.8310      ?      ? 
1 1 1   53   10    0 o   10.550   2.6150 -0.000000 0.000000 
1 1 1   53   10    1 o   18.880   1.1220 3.016000 2.244000 
1 1 1   53   10    2 o   35.880   0.6992 -1.554000 1.398000 
1 1 1   53   10    3 o   42.670   0.6975 1.857000 1.395000 
1 1 1   53   10    4 o   23.670   0.9230 1.656000 1.846000 
1 1 1   53   10    5 o   19.370   1.0980 0.1055000 2.196000 
1 1 1   53   10    6 o   30.460   0.7834 -0.2527000 1.567000 
1 1 1   53   10    7 o   31.480   0.7716 -1.470000 1.543000 
1 1 1   53   10    8 o   64.850   0.7812 0.7700000 1.562000 
1 1 1   53   10    9 o   10.180   1.9320 3.515000 3.865000 
1 1 1   53   10   10 o   9.1980   2.0030 -3.767000 4.005000 
1 1 1   53   10   11 o   19.220   1.2280 4.806000 2.456000 
1 1 1   53   10   12 o   22.310   1.0590 0.1948000 2.117000 
1 1 1   53   10   13 o   18.420   1.2880 1.005000 2.575000 
1 1 1   53   10   14 o   30.820   0.8675 1.448000 1.735000 
1 1 1   53   10   15 o   10.390   2.1300 2.241000 4.261000 
1 1 1   53   10   16 o   28.830   0.8686 -2.766000 1.737000 
1 1 1   53   10   17 o   57.680   0.7194 -0.6270000 1.439000 
1 1 1   53   10   18 o   17.640   1.4230 -0.5477000 2.846000 
1 1 1   53   10   19 o   7.5240   2.0830 1.788000 4.167000 
1 1 1   53   10   20 o   18.330   1.3740 -4.305000 2.748000 
1 1 1   53   10   21 o   5.8740   1.8910 -0.4541000 3.782000 
1 1 1   53   10   22 o   13.270   1.9170 -0.1181000 3.833000 
1 1 1   53   10   23 o   8.4700   2.0500 3.693000 4.100000 
1 1 1   53   10   24 o   14.360   1.7570 -7.534000 3.513000 
1 1 1   53   10   25 o   9.9490   2.1710 0.5302000 4.343000 
1 1 1   53   10   26 o   11.030   1.8920 5.782000 3.784000 
1 1 1   53   10   27 o   6.4120   1.9480 -0.3567000 3.897000 
1 1 1   53   11    0 o   10.950   2.8080 -0.000000 0.000000 
1 1 1   53   11    1 o   6.7460   1.9730 0.4715000 3.945000 
1 1 1   53   11    2 o   50.420   0.7118 1.076000 1.424000 
1 1 1   53   11    3 o   11.370   1.9710 1.581000 3.941000 
1 1 1   53   11    4 f   14.420   1.6220 -2.169000 3.244000 
1 1 1   53   11    5 o   48.620   0.7207 -2.159000 1.441000 
1 1 1   53   11    6 o   25.970   0.9116 1.123000 1.823000 
1 1 1   53   11    7 o   82.650   0.9280 2.578000 1.856000 
1 1 1   53   11    8 o   34.510   0.7756 1.400000 1.551000 
1 1 1   53   11    9 o   29.200   0.8694 -1.277000 1.739000 
1 1 1   53   11   10 o   29.970   0.8543 -0.2675000 1.709000 
1 1 1   53   11   11 o   47.480   0.7448 -1.099000 1.490000 
1 1 1   53   11   12 o   10.870   2.1560 -0.3531000 4.312000 
1 1 1   53   11   13 o   19.130   1.2240 -1.129000 2.448000 
1 1 1   53   11   14 o   12.150   1.9230 -4.814000 3.846000 
1 1 1   53   11   15 o   21.310   1.2780 7.320000 2.556000 
1 1 1   53   11   16 o   15.410   1.6490 -1.444000 3.298000 
1 1 1   53   11   17 f   16.120   1.6280 3.039000 3.256000 
1 1 1   53   11   18 o   15.240   1.7850 -4.848000 3.569000 
1 1 1   53   11   19 o   8.9200   2.1900 2.392000 4.380000 
1 1 1   53   11   20 o   10.650   2.2230 0.7934000 4.445000 
1 1 1   53   11   21 o   8.3030   2.2280 -1.444000 4.455000 
1 1 1   53   11   22 o   16.970   1.5150 -3.096000 3.031000 
1 1 1   53   11   23 f   7.5860   2.1370 0.9130000 4.275000 
1 1 1   53   11   24 o   13.720   1.8900 5.869000 3.780000 
1 1 1   53   11   25 o   11.350   2.0780 -0.6585000 4.157000 
1 1 1   53   11   26 o   10.980   2.1140 -0.3170000 4.229000 
1 1 1   53   11   27 o   8.6350   2.5030 -2.128000 5.007000 
1 1 1   53   12    0 o   25.340   1.3830 -0.000000 0.000000 
1 1 1   53   12    1 o   17.750   1.3660 -2.307000 2.733000 
1 1 1   53   12    2 o   32.730   0.8205 1.852000 1.641000 
1 1 1   53   12    3 o   41.620   0.7629 -0.3070000E-01 1.526000 
1 1 1   53   12    4 o   16.830   1.4020 1.413000 2.803000 
1 1 1   53   12    5 o   38.160   0.7682 -1.233000 1.536000 
1 1 1   53   12    6 o   48.330   0.7432 -0.7874000E-01 1.486000 
1 1 1   53   12    7 o   15.640   1.6100 0.5801000 3.219000 
1 1 1   53   12    8 o   41.940   0.7732 -0.9649000E-01 1.546000 
1 1 1   53   12    9 o   21.030   1.2460 -1.148000 2.492000 
1 1 1   53   12   10 o   46.150   0.7033 -2.923000 1.407000 
1 1 1   53   12   11 o   6.3760   1.9660 -0.3511000E-01 3.932000 
1 1 1   53   12   12 o   14.730   1.7120 0.1924000 3.424000 
1 1 1   53   12   13 o   10.500   2.0450 5.078000 4.091000 
1 1 1   53   12   14 o   33.980   0.8551 0.4348000 1.710000 
1 1 1   53   12   15 o   35.100   0.8327 -0.8374000 1.665000 
1 1 1   53   12   16 o   12.970   2.0670 3.669000 4.134000 
1 1 1   53   12   17 o   6.9760   2.0940 1.965000 4.188000 
1 1 1   53   12   18 o   13.300   2.0110 5.141000 4.023000 
1 1 1   53   12   19 o   10.680   2.2690 -0.9752000 4.538000 
1 1 1   53   12   20 o   12.720   2.0950 -2.342000 4.190000 
1 1 1   53   12   21 o   7.8480   2.2010 0.1524000 4.402000 
1 1 1   53   12   22 o   13.020   1.9920 3.400000 3.983000 
1 1 1   53   12   23 o   7.4950   2.0850 -4.238000 4.169000 
1 1 1   53   12   24 o   10.770   2.1030 2.444000 4.205000 
1 1 1   53   12   25 o   11.130   2.1060 -1.571000 4.212000 
1 1 1   53   12   26 o   7.5630   2.1400 0.1964000 4.281000 
1 1 1   53   13    0 o   8.7460   3.1690 -0.000000 0.000000 
1 1 1   53   13    1 o   13.800   1.8650 -3.649000 3.729000 
1 1 1   53   13    2 o   15.740   1.6400 -0.8289000 3.279000 
1 1 1   53   13    3 o   16.780   1.5930 -3.277000 3.185000 
1 1 1   53   13    4 o   26.710   1.0190 -2.115000 2.038000 
1 1 1   53   13    5 o   69.730   0.8468 0.6062000 1.694000 
1 1 1   53   13    6 o   40.020   0.7500 -1.460000 1.500000 
1 1 1   53   13    7 o   33.990   0.8100 1.172000 1.620000 
1 1 1   53   13    8 o   5.3280   1.7740 -0.9947000 3.548000 
1 1 1   53   13    9 o   10.480   2.1800 -2.632000 4.360000 
1 1 1   53   13   10 o   7.6740   3.1230      ?      ? 
1 1 1   53   13   11 o   29.480   0.9354 -2.225000 1.871000 
1 1 1   53   13   12 o   38.600   0.7886 -2.774000 1.577000 
1 1 1   53   13   13 f   18.150   1.5030 2.571000 3.005000 
1 1 1   53   13   14 o   15.930   1.7300 0.1155000 3.459000 
1 1 1   53   13   15 o   9.2380   2.2650 2.602000 4.531000 
1 1 1   53   13   16 o   12.480   2.1460 -2.881000 4.291000 
1 1 1   53   13   17 o   14.080   2.0500 2.404000 4.101000 
1 1 1   53   13   18 o   14.930   1.8830 -2.264000 3.765000 
1 1 1   53   13   19 f   10.840   2.1580 4.830000 4.315000 
1 1 1   53   13   20 o   8.9990   2.1860 -4.805000 4.373000 
1 1 1   53   13   21 o   10.590   1.8960 8.462000 3.793000 
1 1 1   53   13   22 f   10.080   2.1030 -6.948000 4.206000 
1 1 1   53   13   23 o   9.8900   2.1130 4.283000 4.227000 
1 1 1   53   13   24 o   8.0580   2.1640 -2.894000 4.327000 
1 1 1   53   13   25 o   7.4290   2.1110 -3.363000 4.223000 
1 1 1   53   14    0 o   28.490   1.4560 -0.000000 0.000000 
1 1 1   53   14    1 f   28.890   0.9954 1.892000 1.991000 
1 1 1   53   14    2 o   6.1690   1.9440 -2.255000 3.889000 
1 1 1   53   14    3 f   6.6500   2.0190 1.185000 4.038000 
1 1 1   53   14    4 o   11.290   2.1490 -2.215000 4.299000 
1 1 1   53   14    5 o   10.470   2.2310 -3.020000 4.463000 
1 1 1   53   14    6 o   16.780   1.6220 -1.825000 3.243000 
1 1 1   53   14    7 o   15.460   1.7950 1.057000 3.590000 
1 1 1   53   14    8 o   17.490   1.5380 -0.9916000 3.076000 
1 1 1   53   14    9 o   29.700   0.9548 -1.445000 1.910000 
1 1 1   53   14   10 o   8.8840   2.2480 -3.078000 4.496000 
1 1 1   53   14   11 o   8.2380   2.2240 -3.608000 4.448000 
1 1 1   53   14   12 o   10.400   2.1290 -6.858000 4.258000 
1 1 1   53   14   13 o   12.480   2.0320 8.372000 4.063000 
1 1 1   53   14   14 o   10.800   2.3330 1.744000 4.666000 
1 1 1   53   14   15 o   22.550   1.2690 -0.9990000 2.539000 
1 1 1   53   14   16 o   24.210   1.2100 -3.504000 2.421000 
1 1 1   53   14   17 o   13.550   2.0710 6.484000 4.142000 
1 1 1   53   14   18 o   7.3450   2.1750 0.7716000 4.351000 
1 1 1   53   14   19 o   10.390   2.2790 -4.386000 4.559000 
1 1 1   53   14   20 o   10.050   2.2550 3.239000 4.509000 
1 1 1   53   14   21 o   9.0200   2.2670 -3.076000 4.534000 
1 1 1   53   14   22 f   8.2780   2.2390 -1.888000 4.478000 
1 1 1   53   14   23 o   9.0250   2.2490 -2.307000 4.497000 
1 1 1   53   15    0 o   10.840   3.1180 -0.000000 0.000000 
1 1 1   53   15    1 o   15.020   1.6940 1.777000 3.389000 
1 1 1   53   15    2 o   5.9140   1.9010 0.7005000 3.802000 
1 1 1   53   15    3 o   6.2470   1.9200 -2.580000 3.841000 
1 1 1   53   15    4 o   11.730   2.2610 -2.842000 4.521000 
1 1 1   53   15    5 o   10.150   2.1830 4.294000 4.366000 
1 1 1   53   15    6 o   14.260   2.0020 -0.5890000 4.004000 
1 1 1   53   15    7 o   24.310   1.2120 -2.759000 2.424000 
1 1 1   53   15    8 o   16.870   1.7470 2.568000 3.494000 
1 1 1   53   15    9 o   11.300   2.3070 -3.344000 4.614000 
1 1 1   53   15   10 o   9.4100   2.1970 -6.358000 4.394000 
1 1 1   53   15   11 o   13.060   2.2320 0.4896000 4.464000 
1 1 1   53   15   12 o   11.230   2.3540 1.190000 4.707000 
1 1 1   53   15   13 o   11.730   2.3650 -2.726000 4.729000 
1 1 1   53   15   14 o   13.260   2.1720 2.635000 4.343000 
1 1 1   53   15   15 o   14.700   1.9960 -1.204000 3.991000 
1 1 1   53   15   16 o   7.2350   2.1880 0.1906000 4.376000 
1 1 1   53   15   17 o   9.3190   2.3450 1.959000 4.691000 
1 1 1   53   15   18 o   10.750   2.3460 1.877000 4.692000 
1 1 1   53   15   19 o   9.2730   2.3570 -1.332000 4.715000 
1 1 1   53   15   20 o   11.270   2.1210 -6.362000 4.242000 
1 1 1   53   15   21 o   13.750   1.9240 -7.878000 3.848000 
1 1 1   53   15   22 o   6.3940   2.0030 0.4269000 4.006000 
1 1 1   53   16    0 o   29.540   1.3440 -0.000000 0.000000 
1 1 1   53   16    1 o   9.3830   2.2210 -3.889000 4.442000 
1 1 1   53   16    2 o   8.2450   2.2450 0.6957000 4.489000 
1 1 1   53   16    3 o   7.9620   2.2220 -1.806000 4.443000 
1 1 1   53   16    4 o   14.070   1.9590 -0.6203000 3.918000 
1 1 1   53   16    5 o   10.210   2.2120 -4.329000 4.423000 
1 1 1   53   16    6 o   15.580   1.7860 3.239000 3.572000 
1 1 1   53   16    7 o   20.660   1.3470 -1.909000 2.694000 
1 1 1   53   16    8 o   8.8070   2.2220 3.501000 4.444000 
1 1 1   53   16    9 o   15.830   1.7570 -0.5612000 3.513000 
1 1 1   53   16   10 o   21.100   1.3140 -0.9287000 2.629000 
1 1 1   53   16   11 o   19.290   1.5810 0.6856000 3.161000 
1 1 1   53   16   12 f   10.920   2.2790 -5.406000 4.559000 
1 1 1   53   16   13 o   6.4690   2.0650 -2.147000 4.129000 
1 1 1   53   16   14 o   9.4200   2.3750 2.093000 4.751000 
1 1 1   53   16   15 o   6.8460   2.1000 2.163000 4.199000 
1 1 1   53   16   16 o   8.7770   2.1600 -6.314000 4.320000 
1 1 1   53   16   17 o   10.560   2.3540 1.172000 4.708000 
1 1 1   53   16   18 o   7.7940   2.2360 -0.6569000 4.471000 
1 1 1   53   16   19 o   8.4260   2.2640 -0.3076000 4.528000 
1 1 1   53   16   20 o   9.0420   2.1760 -4.884000 4.353000 
1 1 1   53   16   21 o   6.7130   2.0790 -0.5169000 4.157000 
1 1 1   53   17    0 o   24.260   1.7100 -0.000000 0.000000 
1 1 1   53   17    1 o   29.650   0.9828 2.623000 1.966000 
1 1 1   53   17    2 f   15.470   1.8520 -2.214000 3.705000 
1 1 1   53   17    3 o   9.4870   2.3310 -1.521000 4.663000 
1 1 1   53   17    4 o   17.210   1.6580 2.645000 3.315000 
1 1 1   53   17    5 o   8.3020   2.2590 2.262000 4.519000 
1 1 1   53   17    6 o   13.800   2.0560 -2.887000 4.111000 
1 1 1   53   17    7 o   9.1070   2.2540 3.231000 4.507000 
1 1 1   53   17    8 o   10.600   2.2230 -4.340000 4.447000 
1 1 1   53   17    9 o   15.670   1.8370 -3.517000 3.674000 
1 1 1   53   17   10 o   7.2290   2.1590 -1.452000 4.318000 
1 1 1   53   17   11 o   11.190   2.1950 -5.252000 4.390000 
1 1 1   53   17   12 o   11.800   2.2510 -2.228000 4.501000 
1 1 1   53   17   13 o   7.4080   2.1890 -0.9144000 4.378000 
1 1 1   53   17   14 o   7.5340   2.1630 3.010000 4.325000 
1 1 1   53   17   15 o   10.260   2.2250 -3.850000 4.450000 
1 1 1   53   17   16 o   9.9240   2.1900 3.843000 4.379000 
1 1 1   53   17   17 o   9.1040   2.0620 -5.543000 4.125000 
1 1 1   53   17   18 o   8.4530   2.1770 -1.655000 4.353000 
1 1 1   53   17   19 o   5.8180   1.8610 2.255000 3.722000 
1 1 1   53   18    0 o   7.1580   3.0830 -0.000000 0.000000 
1 1 1   53   18    1 o   10.650   2.3490 0.6565000 4.697000 
1 1 1   53   18    2 o   9.4020   2.3430 -0.3240000 4.685000 
1 1 1   53   18    3 o   10.970   2.2390 4.499000 4.478000 
1 1 1   53   18    4 o   11.050   1.9780 8.418000 3.956000 
1 1 1   53   18    5 o   11.040   2.2520 3.538000 4.504000 
1 1 1   53   18    6 o   11.650   2.2540 -2.077000 4.509000 
1 1 1   53   18    7 o   10.170   2.1540 6.489000 4.308000 
1 1 1   53   18    8 o   5.9530   1.9460 -0.1761000E-01 3.892000 
1 1 1   53   18    9 o   10.210   2.2900 3.451000 4.581000 
1 1 1   53   18   10 o   7.7740   2.1830 3.195000 4.365000 
1 1 1   53   18   11 o   13.710   2.0770 0.8366000E-01 4.153000 
1 1 1   53   18   12 o   10.060   1.9230 -8.743000 3.847000 
1 1 1   53   18   13 o   7.5300   2.1860 -1.504000 4.373000 
1 1 1   53   18   14 o   8.0110   2.0180 5.833000 4.035000 
1 1 1   53   18   15 o   6.8940   2.0810 -0.1351000 4.162000 
1 1 1   53   18   16 o   11.490   2.1120 -2.484000 4.224000 
1 1 1   53   18   17 o   6.7660   2.0380 1.796000 4.076000 
1 1 1   53   19    0 o   9.5600   3.4080 -0.000000 0.000000 
1 1 1   53   19    1 o   9.8830   2.3910 0.2356000 4.783000 
1 1 1   53   19    2 o   14.720   2.0320 5.123000 4.063000 
1 1 1   53   19    3 o   7.1990   2.1680 2.065000 4.337000 
1 1 1   53   19    4 o   9.6170   2.0930 7.220000 4.187000 
1 1 1   53   19    5 o   12.380   2.1740 -5.044000 4.348000 
1 1 1   53   19    6 o   8.9110   2.3020 -1.926000 4.604000 
1 1 1   53   19    7 o   6.3870   2.0330 1.486000 4.065000 
1 1 1   53   19    8 o   11.110   2.3270 -0.6475000 4.654000 
1 1 1   53   19    9 o   7.1390   2.1380 -0.9886000 4.275000 
1 1 1   53   19   10 o   9.5600   2.2540 -2.587000 4.507000 
1 1 1   53   19   11 o   8.7340   2.1450 -4.655000 4.290000 
1 1 1   53   19   12 o   8.2930   2.2420 2.365000 4.485000 
1 1 1   53   19   13 o   7.0810   2.1320 -0.9239000E-01 4.264000 
1 1 1   53   19   14 o   8.4040   2.1710 -3.175000 4.343000 
1 1 1   53   19   15 o   7.7950   2.1560 3.073000 4.311000 
1 1 1   53   20    0 o   13.360   3.0480 -0.000000 0.000000 
1 1 1   53   20    1 o   7.2500   2.1610 -1.836000 4.322000 
1 1 1   53   20    2 o   8.6290   2.2230 -4.233000 4.445000 
1 1 1   53   20    3 o   8.9410   2.3600 -0.3903000E-01 4.719000 
1 1 1   53   20    4 o   11.920   2.2650 -2.179000 4.530000 
1 1 1   53   20    5 o   7.6290   2.1780 -3.121000 4.356000 
1 1 1   53   20    6 o   7.0170   2.1150 -1.980000 4.229000 
1 1 1   53   20    7 o   10.140   2.3330 -0.7477000 4.665000 
1 1 1   53   20    8 o   9.6840   2.0460 -7.123000 4.091000 
1 1 1   53   20    9 o   7.0540   2.1250 0.7025000 4.251000 
1 1 1   53   20   10 o   6.8870   2.0510 3.207000 4.101000 
1 1 1   53   20   11 o   7.0210   2.1020 1.875000 4.204000 
1 1 1   53   20   12 o   10.300   2.2470 4.818000 4.495000 
1 1 1   53   21    0 o   8.6110   3.2880 -0.000000 0.000000 
1 1 1   53   21    1 o   7.3570   2.1840 1.376000 4.369000 
1 1 1   53   21    2 o   7.1170   2.1460 -1.567000 4.292000 
1 1 1   53   21    3 o   7.6920   2.1390 -3.818000 4.278000 
1 1 1   53   21    4 o   11.450   2.2420 -1.824000 4.484000 
1 1 1   53   21    5 o   11.550   2.1980 2.935000 4.396000 
1 1 1   53   21    6 o   12.340   2.1400 -0.1650000 4.280000 
1 1 1   53   21    7 o   7.1350   2.0600 -3.486000 4.120000 
1 1 1   53   21    8 f   11.540   3.0230 -3.956000 6.046000 
1 1 1   54    0    0 o   71.280   1.5790 -0.000000 0.000000 
1 1 1   54    0    1 f   13.190   1.6600 -0.000000 0.000000 
1 1 1   54    0    2 o   26.360   0.9211 -0.000000 0.000000 
1 1 1   54    0    3 o   18.980   1.2150 -0.000000 0.000000 
1 1 1   54    0    4 f   4.6390   2.1030 -0.000000 0.000000 
1 1 1   54    0    5 o   5.4930   2.3140 -0.000000 0.000000 
1 1 1   54    0    6 o   20.100   1.1460 -0.000000 0.000000 
1 1 1   54    0    7 f   58.370   0.9701 -0.000000 0.000000 
1 1 1   54    0    8 f   45.760   0.8745 -0.000000 0.000000 
1 1 1   54    0    9 o   13.070   1.7030 -0.000000 0.000000 
1 1 1   54    0   10 o   15.870   1.4250 -0.000000 0.000000 
1 1 1   54    0   11 f   29.300   0.9207 -0.000000 0.000000 
1 1 1   54    0   12 o   15.090   1.5730 -0.000000 0.000000 
1 1 1   54    0   13 o   5.1220   2.2720 -0.000000 0.000000 
1 1 1   54    0   14 o   37.750   0.8976 -0.000000 0.000000 
1 1 1   54    0   15 o   15.450   1.6490 -0.000000 0.000000 
1 1 1   54    0   16 o   30.470   0.9392 -0.000000 0.000000 
1 1 1   54    0   17 f   31.700   0.9605 -0.000000 0.000000 
1 1 1   54    0   18 o   20.420   1.3470 -0.000000 0.000000 
1 1 1   54    0   19 o   26.290   1.0920 -0.000000 0.000000 
1 1 1   54    0   20 o   5.4290   2.4100 -0.000000 0.000000 
1 1 1   54    0   21 f   30.100   1.0620 -0.000000 0.000000 
1 1 1   54    0   22 o   5.6450   2.5110 -0.000000 0.000000 
1 1 1   54    0   23 o   16.850   1.8440 -0.000000 0.000000 
1 1 1   54    0   24 o   13.650   2.2520 -0.000000 0.000000 
1 1 1   54    0   25 o   18.690   1.5840 -0.000000 0.000000 
1 1 1   54    0   26 o   11.470   2.4410 -0.000000 0.000000 
1 1 1   54    0   27 o   19.580   1.5060 -0.000000 0.000000 
1 1 1   54    0   28 o   7.6750   2.7750 -0.000000 0.000000 
1 1 1   54    0   29 f   22.900   1.1920 -0.000000 0.000000 
1 1 1   54    0   30 o   6.0060   2.4480 -0.000000 0.000000 
1 1 1   54    0   31 o   9.3710   2.3850 -0.000000 0.000000 
1 1 1   54    1    0 o   50.160   0.7151 -0.000000 0.000000 
1 1 1   54    1    1 o   24.020   0.5333 -1.020000 1.067000 
1 1 1   54    1    2 o   21.010   0.5787 -0.1004000 1.157000 
1 1 1   54    1    3 o   21.800   0.5745 1.933000 1.149000 
1 1 1   54    1    4 o   43.520   0.4812 -0.3021000 0.9623000 
1 1 1   54    1    5 o   43.150   0.4758 2.817000 0.9516000 
1 1 1   54    1    6 o   27.340   0.5068 0.1160000 1.014000 
1 1 1   54    1    7 o   23.070   0.5608 -3.289000 1.122000 
1 1 1   54    1    8 o   43.610   0.4811 -2.544000 0.9622000 
1 1 1   54    1    9 o   12.490   0.9646 0.2389000 1.929000 
1 1 1   54    1   10 o   10.530   1.2520 6.706000 2.503000 
1 1 1   54    1   11 o   9.4270   1.3420 -1.853000 2.684000 
1 1 1   54    1   12 o   38.290   0.5390 1.823000 1.078000 
1 1 1   54    1   13 o   55.730   0.6156 -1.761000 1.231000 
1 1 1   54    1   14 o   17.360   0.8405 -2.564000 1.681000 
1 1 1   54    1   15 o   17.070   0.8986 -2.438000 1.797000 
1 1 1   54    1   16 o   8.0140   1.5800 3.422000 3.159000 
1 1 1   54    1   17 o   38.250   0.5698 0.6004000E-01 1.140000 
1 1 1   54    1   18 o   20.200   0.9779 4.294000 1.956000 
1 1 1   54    1   19 f   28.230   0.7466 1.734000 1.493000 
1 1 1   54    1   20 f   27.380   0.7832 3.935000 1.566000 
1 1 1   54    1   21 o   14.280   1.4630 2.922000 2.927000 
1 1 1   54    1   22 o   27.110   0.8173 -1.393000 1.635000 
1 1 1   54    1   23 o   17.850   1.1900 0.7719000 2.380000 
1 1 1   54    1   24 f   9.8020   1.9750 0.7094000 3.949000 
1 1 1   54    1   25 o   11.790   1.7380 6.636000 3.476000 
1 1 1   54    1   26 o   16.920   1.2220 -0.5393000 2.443000 
1 1 1   54    1   27 o   12.890   1.6410 1.150000 3.281000 
1 1 1   54    1   28 o   14.290   1.4730 4.292000 2.946000 
1 1 1   54    1   29 o   9.4600   1.8230 2.701000 3.645000 
1 1 1   54    1   30 o   6.8730   1.6340 -4.935000 3.268000 
1 1 1   54    1   31 o   5.2600   1.6300 -1.653000 3.261000 
1 1 1   54    2    0 o   30.370   0.8318 -0.000000 0.000000 
1 1 1   54    2    1 o   20.350   0.7364 0.8567000 1.473000 
1 1 1   54    2    2 o   46.080   0.5900 1.035000 1.180000 
1 1 1   54    2    3 o   10.630   1.3870 -2.856000 2.774000 
1 1 1   54    2    4 o   21.760   0.7270 -8.217000 1.454000 
1 1 1   54    2    5 o   49.110   0.6074 1.021000 1.215000 
1 1 1   54    2    6 o   53.760   0.6449 -4.337000 1.290000 
1 1 1   54    2    7 o   33.850   0.5192 1.976000 1.038000 
1 1 1   54    2    8 o   45.580   0.5485 -1.271000 1.097000 
1 1 1   54    2    9 o   49.420   0.5623 -1.934000 1.125000 
1 1 1   54    2   10 o   15.240   0.8776 -1.656000 1.755000 
1 1 1   54    2   11 o   46.970   0.5544 2.348000 1.109000 
1 1 1   54    2   12 o   32.050   0.5454 -1.158000 1.091000 
1 1 1   54    2   13 o   11.390   1.1890 -0.7568000 2.378000 
1 1 1   54    2   14 o   22.880   0.6166 -0.8786000 1.233000 
1 1 1   54    2   15 o   29.640   0.5493 -1.392000 1.099000 
1 1 1   54    2   16 o   33.660   0.5281 -1.213000 1.056000 
1 1 1   54    2   17 o   10.520   1.4140 -0.2888000 2.828000 
1 1 1   54    2   18 f   25.050   0.6387 0.3085000 1.277000 
1 1 1   54    2   19 o   60.870   0.5958 -1.011000 1.192000 
1 1 1   54    2   20 o   36.020   0.6113 -3.717000 1.223000 
1 1 1   54    2   21 o   7.3430   1.8010 0.5034000 3.601000 
1 1 1   54    2   22 o   22.450   0.8146 0.2253000 1.629000 
1 1 1   54    2   23 o   23.230   0.8253 -0.8428000 1.651000 
1 1 1   54    2   24 o   7.2170   1.7940 1.721000 3.589000 
1 1 1   54    2   25 o   20.980   0.8903 -1.170000 1.781000 
1 1 1   54    2   26 o   10.570   1.6540 1.803000 3.308000 
1 1 1   54    2   27 o   19.210   1.0850 1.896000 2.171000 
1 1 1   54    2   28 o   5.6590   1.7710 -0.5058000 3.543000 
1 1 1   54    2   29 o   12.900   1.5750 0.4486000 3.150000 
1 1 1   54    2   30 o   6.8100   1.7220 -3.955000 3.444000 
1 1 1   54    2   31 o   6.3610   2.6870      ?      ? 
1 1 1   54    3    0 o   9.4220   2.1630 -0.000000 0.000000 
1 1 1   54    3    1 o   19.790   0.7481 -2.616000 1.496000 
1 1 1   54    3    2 o   16.620   0.8809 -0.8887000 1.762000 
1 1 1   54    3    3 o   56.900   0.6635 -1.448000 1.327000 
1 1 1   54    3    4 o   17.270   0.8452 0.5250000 1.690000 
1 1 1   54    3    5 o   42.880   0.5866 0.6307000 1.173000 
1 1 1   54    3    6 f   45.770   0.5973 -0.9863000E-01 1.195000 
1 1 1   54    3    7 o   71.810   0.7922 -1.557000 1.584000 
1 1 1   54    3    8 o   31.770   0.5945 0.5659000 1.189000 
1 1 1   54    3    9 o   35.700   0.8041      ?      ? 
1 1 1   54    3   10 o   22.840   0.6884 -0.4012000E-01 1.377000 
1 1 1   54    3   11 o   48.500   0.6186 -1.276000 1.237000 
1 1 1   54    3   12 o   21.060   0.7865 -5.068000 1.573000 
1 1 1   54    3   13 o   58.260   0.6902 -1.733000 1.380000 
1 1 1   54    3   14 o   22.510   0.7656 -2.615000 1.531000 
1 1 1   54    3   15 o   11.400   1.5280 5.297000 3.056000 
1 1 1   54    3   16 o   40.870   0.6300 -3.020000 1.260000 
1 1 1   54    3   17 o   41.040   0.5724 -1.556000 1.145000 
1 1 1   54    3   18 f   18.170   0.9400 -2.736000 1.880000 
1 1 1   54    3   19 o   22.800   0.7841 -3.332000 1.568000 
1 1 1   54    3   20 o   12.700   1.4500 1.416000 2.900000 
1 1 1   54    3   21 o   4.4210   1.4720 0.8895000E-01 2.945000 
1 1 1   54    3   22 o   31.730   0.6584 -1.049000 1.317000 
1 1 1   54    3   23 o   15.890   1.2040 0.7334000 2.408000 
1 1 1   54    3   24 o   12.400   1.5470 7.491000 3.095000 
1 1 1   54    3   25 o   9.5190   1.7390 -2.628000 3.479000 
1 1 1   54    3   26 o   15.870   1.1800 -0.6107000 2.360000 
1 1 1   54    3   27 o   8.4230   1.8950 0.2496000 3.789000 
1 1 1   54    3   28 o   11.440   1.5960 2.793000 3.193000 
1 1 1   54    3   29 o   6.3470   1.6520 2.436000 3.305000 
1 1 1   54    3   30 o   7.2160   1.7770 -1.267000 3.554000 
1 1 1   54    4    0 o   19.600   1.0970 -0.000000 0.000000 
1 1 1   54    4    1 o   60.500   0.7002 -2.025000 1.400000 
1 1 1   54    4    2 o   64.180   0.7290 -1.852000 1.458000 
1 1 1   54    4    3 o   34.090   0.5817 1.718000 1.163000 
1 1 1   54    4    4 o   38.980   0.5838 -5.772000 1.168000 
1 1 1   54    4    5 o   74.950   0.8227 -1.466000 1.645000 
1 1 1   54    4    6 o   58.150   0.6784 2.845000 1.357000 
1 1 1   54    4    7 o   23.100   0.6869 -0.5320000 1.374000 
1 1 1   54    4    8 o   28.320   0.6270 -0.9392000E-01 1.254000 
1 1 1   54    4    9 o   22.910   0.7273 5.013000 1.455000 
1 1 1   54    4   10 o   62.870   0.7197 0.5208000 1.439000 
1 1 1   54    4   11 o   16.120   1.0460 4.911000 2.093000 
1 1 1   54    4   12 o   20.700   0.8203 2.077000 1.641000 
1 1 1   54    4   13 o   10.250   1.5670 -3.703000 3.135000 
1 1 1   54    4   14 f   24.350   0.7539 -2.275000 1.508000 
1 1 1   54    4   15 o   18.860   0.9307 0.1102000 1.861000 
1 1 1   54    4   16 o   11.390   1.5710 0.8423000 3.141000 
1 1 1   54    4   17 o   21.400   0.9043 1.857000 1.809000 
1 1 1   54    4   18 o   13.000   1.4900 0.6255000 2.980000 
1 1 1   54    4   19 o   21.700   0.9178 -1.731000 1.836000 
1 1 1   54    4   20 o   28.400   0.7823 -1.795000 1.565000 
1 1 1   54    4   21 o   9.5670   1.9580 0.1987000 3.916000 
1 1 1   54    4   22 o   22.880   0.9602 -0.1280000 1.920000 
1 1 1   54    4   23 o   34.310   0.7321 -2.897000 1.464000 
1 1 1   54    4   24 o   39.380   0.6617 0.8912000E-01 1.323000 
1 1 1   54    4   25 o   6.9420   1.9100 -0.8761000 3.821000 
1 1 1   54    4   26 o   13.840   1.4240 -5.822000 2.847000 
1 1 1   54    4   27 o   12.040   1.6620 1.662000 3.324000 
1 1 1   54    4   28 o   9.9220   1.7140 -6.494000 3.428000 
1 1 1   54    4   29 o   8.8160   1.7970 -2.532000 3.595000 
1 1 1   54    4   30 o   6.2610   1.5670 2.802000 3.134000 
1 1 1   54    5    0 o   25.960   0.9242 -0.000000 0.000000 
1 1 1   54    5    1 o   74.680   0.8213 0.5125000 1.643000 
1 1 1   54    5    2 o   77.500   0.8483 3.291000 1.697000 
1 1 1   54    5    3 o   7.2190   1.6980 -1.063000 3.397000 
1 1 1   54    5    4 o   8.9760   1.6440 -2.767000 3.289000 
1 1 1   54    5    5 o   31.980   0.6040 -0.9179000 1.208000 
1 1 1   54    5    6 o   56.400   0.6710 -3.339000 1.342000 
1 1 1   54    5    7 o   31.740   0.6116 1.593000 1.223000 
1 1 1   54    5    8 o   8.9070   1.6620 -0.8574000 3.324000 
1 1 1   54    5    9 o   17.170   0.9462 2.518000 1.892000 
1 1 1   54    5   10 o   7.5650   1.7220 2.204000 3.444000 
1 1 1   54    5   11 o   19.360   0.8664 0.6819000 1.733000 
1 1 1   54    5   12 o   22.110   0.7979 -2.784000 1.596000 
1 1 1   54    5   13 o   19.810   0.9120 -4.941000 1.824000 
1 1 1   54    5   14 o   59.680   0.7185 -0.8998000 1.437000 
1 1 1   54    5   15 o   52.430   0.6769 1.814000 1.354000 
1 1 1   54    5   16 o   25.170   0.7944 1.351000 1.589000 
1 1 1   54    5   17 o   38.900   0.6610 2.104000 1.322000 
1 1 1   54    5   18 o   17.690   1.0900 -2.054000 2.180000 
1 1 1   54    5   19 o   7.4610   1.8930 2.263000 3.785000 
1 1 1   54    5   20 o   7.2330   1.9580 1.052000 3.915000 
1 1 1   54    5   21 o   29.260   0.8113 -0.1217000 1.623000 
1 1 1   54    5   22 o   20.440   1.1280 2.229000 2.256000 
1 1 1   54    5   23 f   9.7310   1.8250 -7.617000 3.650000 
1 1 1   54    5   24 o   9.1050   2.1010 0.3204000 4.201000 
1 1 1   54    5   25 o   11.160   1.8930 3.887000 3.786000 
1 1 1   54    5   26 o   21.680   1.0230 -2.340000 2.047000 
1 1 1   54    5   27 o   9.8330   1.8060 5.787000 3.612000 
1 1 1   54    5   28 f   6.8870   1.6510 4.234000 3.302000 
1 1 1   54    5   29 o   7.3680   1.8500 -2.184000 3.700000 
1 1 1   54    5   30 o   13.040   1.3550 0.6267000 2.710000 
1 1 1   54    6    0 o   5.3910   2.3030 -0.000000 0.000000 
1 1 1   54    6    1 o   13.230   1.2120 0.1688000 2.423000 
1 1 1   54    6    2 o   21.250   0.8059 -0.3043000 1.612000 
1 1 1   54    6    3 o   10.890   1.4910 -1.375000 2.981000 
1 1 1   54    6    4 o   42.370   0.6076 0.5192000 1.215000 
1 1 1   54    6    5 o   17.820   0.9229 4.397000 1.846000 
1 1 1   54    6    6 o   22.630   0.7657 0.9027000 1.531000 
1 1 1   54    6    7 o   34.070   0.6179 3.188000 1.236000 
1 1 1   54    6    8 o   57.890   0.6946 -1.749000 1.389000 
1 1 1   54    6    9 o   30.070   0.6570 3.932000 1.314000 
1 1 1   54    6   10 o   24.090   0.7559 -3.384000 1.512000 
1 1 1   54    6   11 o   20.640   0.8766 4.731000 1.753000 
1 1 1   54    6   12 o   28.720   0.7098 -0.9017000 1.420000 
1 1 1   54    6   13 o   41.740   0.6465 0.4064000 1.293000 
1 1 1   54    6   14 f   35.500   0.6674 -3.401000 1.335000 
1 1 1   54    6   15 o   53.080   0.6944 2.607000 1.389000 
1 1 1   54    6   16 o   34.360   0.6900 -0.8660000 1.380000 
1 1 1   54    6   17 f   21.850   0.9664 1.476000 1.933000 
1 1 1   54    6   18 o   32.350   0.7428 -4.702000 1.486000 
1 1 1   54    6   19 o   38.640   0.9919      ?      ? 
1 1 1   54    6   20 o   15.390   1.4690 -1.570000 2.938000 
1 1 1   54    6   21 o   13.700   1.7150 3.117000 3.431000 
1 1 1   54    6   22 o   8.7050   2.0970 2.417000 4.195000 
1 1 1   54    6   23 o   9.6690   1.9860 4.441000 3.972000 
1 1 1   54    6   24 o   15.230   1.6070 -1.158000 3.213000 
1 1 1   54    6   25 o   11.930   1.9560 -3.183000 3.912000 
1 1 1   54    6   26 o   9.6190   1.9300 1.986000 3.860000 
1 1 1   54    6   27 o   8.0170   1.8570 3.308000 3.713000 
1 1 1   54    6   28 o   15.710   1.4220 4.100000 2.845000 
1 1 1   54    6   29 o   8.6400   1.9350 -0.4907000 3.870000 
1 1 1   54    7    0 o   19.260   1.2500 -0.000000 0.000000 
1 1 1   54    7    1 o   63.540   0.7409 -1.424000 1.482000 
1 1 1   54    7    2 f   17.600   1.0110 1.385000 2.021000 
1 1 1   54    7    3 o   32.490   0.6488 -0.8639000 1.298000 
1 1 1   54    7    4 o   28.200   0.6997 -0.5830000 1.399000 
1 1 1   54    7    5 o   40.360   0.6307 -0.2105000 1.261000 
1 1 1   54    7    6 o   44.850   0.6380 -0.8571000 1.276000 
1 1 1   54    7    7 o   13.260   1.4080 -4.805000 2.816000 
1 1 1   54    7    8 o   21.400   0.8299 1.243000 1.660000 
1 1 1   54    7    9 o   51.580   0.6675 2.735000 1.335000 
1 1 1   54    7   10 o   32.010   0.6647 0.6820000 1.329000 
1 1 1   54    7   11 o   52.970   0.6804 -0.1890000 1.361000 
1 1 1   54    7   12 o   60.080   0.7298 -0.6875000 1.460000 
1 1 1   54    7   13 o   17.920   1.2060 7.437000 2.412000 
1 1 1   54    7   14 o   36.830   0.6896 -2.260000 1.379000 
1 1 1   54    7   15 o   51.660   0.7006 1.873000 1.401000 
1 1 1   54    7   16 o   16.600   1.3370 -4.679000 2.674000 
1 1 1   54    7   17 o   19.390   1.1230 -0.9042000 2.245000 
1 1 1   54    7   18 o   21.800   1.0510 -0.3535000 2.102000 
1 1 1   54    7   19 o   16.080   1.4550 2.148000 2.910000 
1 1 1   54    7   20 o   17.130   1.4430 -7.104000 2.887000 
1 1 1   54    7   21 o   10.220   2.0940 2.270000 4.188000 
1 1 1   54    7   22 o   22.810   1.0860 3.334000 2.172000 
1 1 1   54    7   23 o   11.070   2.0970 -1.081000 4.194000 
1 1 1   54    7   24 o   11.150   1.9740 -4.178000 3.949000 
1 1 1   54    7   25 o   7.5770   2.0400 -2.081000 4.079000 
1 1 1   54    7   26 o   8.9590   2.0660 -0.4840000 4.133000 
1 1 1   54    7   27 o   10.170   1.9620 0.8712000 3.923000 
1 1 1   54    7   28 o   9.9540   1.9140 -1.125000 3.828000 
1 1 1   54    7   29 o   8.5140   1.9510 -1.368000 3.902000 
1 1 1   54    8    0 o   15.710   1.6040 -0.000000 0.000000 
1 1 1   54    8    1 o   57.560   0.7076 -2.457000 1.415000 
1 1 1   54    8    2 f   57.320   0.7088 -1.818000 1.418000 
1 1 1   54    8    3 o   41.400   0.6421 -1.051000 1.284000 
1 1 1   54    8    4 o   33.660   0.6607 -1.745000 1.321000 
1 1 1   54    8    5 o   18.470   1.0270 0.4820000 2.054000 
1 1 1   54    8    6 o   32.220   0.6882 -1.721000 1.376000 
1 1 1   54    8    7 o   49.990   0.6666 4.647000 1.333000 
1 1 1   54    8    8 f   42.370   0.6459 1.367000 1.292000 
1 1 1   54    8    9 o   18.920   1.0300 1.385000 2.060000 
1 1 1   54    8   10 f   41.270   0.6598 -0.6604000 1.320000 
1 1 1   54    8   11 f   30.640   0.7430 3.783000 1.486000 
1 1 1   54    8   12 o   35.200   0.7004 1.014000 1.401000 
1 1 1   54    8   13 o   28.640   0.8012 -1.340000 1.602000 
1 1 1   54    8   14 o   42.110   0.6988 -2.248000 1.398000 
1 1 1   54    8   15 o   5.8610   1.7950 -2.104000 3.590000 
1 1 1   54    8   16 o   37.760   0.7493 -0.2106000 1.499000 
1 1 1   54    8   17 o   15.110   1.5900 -0.8273000 3.181000 
1 1 1   54    8   18 o   10.170   2.1080 1.905000 4.216000 
1 1 1   54    8   19 f   10.490   1.9060 6.776000 3.812000 
1 1 1   54    8   20 o   23.130   1.1320 1.773000 2.264000 
1 1 1   54    8   21 o   13.000   1.8260 -1.886000 3.652000 
1 1 1   54    8   22 o   7.3600   1.9620 3.698000 3.924000 
1 1 1   54    8   23 o   11.530   2.0220 0.7806000 4.043000 
1 1 1   54    8   24 f   18.060   1.3300 -1.558000 2.661000 
1 1 1   54    8   25 o   8.2170   1.9740 -5.602000 3.948000 
1 1 1   54    8   26 o   8.0820   2.0470 -3.186000 4.094000 
1 1 1   54    8   27 o   10.420   1.9010 4.220000 3.803000 
1 1 1   54    8   28 o   5.8080   1.8080 0.2475000 3.616000 
1 1 1   54    9    0 o   8.7290   2.7140 -0.000000 0.000000 
1 1 1   54    9    1 o   12.560   1.5750 -2.362000 3.149000 
1 1 1   54    9    2 o   34.350   0.6887 -0.5830000 1.377000 
1 1 1   54    9    3 o   42.880   0.6582 2.808000 1.316000 
1 1 1   54    9    4 o   36.140   0.6860 0.2394000 1.372000 
1 1 1   54    9    5 f   67.350   0.7848 -0.3184000 1.570000 
1 1 1   54    9    6 o   31.540   0.7188 3.029000 1.438000 
1 1 1   54    9    7 o   24.670   0.8429 -1.660000 1.686000 
1 1 1   54    9    8 o   18.680   1.1310 4.026000 2.262000 
1 1 1   54    9    9 o   19.840   1.0470 1.060000 2.094000 
1 1 1   54    9   10 o   13.370   1.6070 0.1357000 3.213000 
1 1 1   54    9   11 o   45.080   0.7009 -2.428000 1.402000 
1 1 1   54    9   12 o   42.540   0.7114 1.783000 1.423000 
1 1 1   54    9   13 o   38.560   0.7283 -0.6358000 1.457000 
1 1 1   54    9   14 o   5.8780   1.8290 -1.600000 3.658000 
1 1 1   54    9   15 o   42.340   0.7548 0.4088000 1.510000 
1 1 1   54    9   16 o   45.450   0.7687 -1.735000 1.537000 
1 1 1   54    9   17 o   24.840   1.0350 0.6477000 2.070000 
1 1 1   54    9   18 o   13.210   1.9230 -3.411000 3.847000 
1 1 1   54    9   19 o   33.270   0.7945 -0.4520000 1.589000 
1 1 1   54    9   20 o   14.960   1.7420 7.089000 3.484000 
1 1 1   54    9   21 o   9.9110   2.1410 -3.634000 4.282000 
1 1 1   54    9   22 o   9.0770   1.8630 -7.764000 3.727000 
1 1 1   54    9   23 o   8.0830   2.1530 -1.802000 4.306000 
1 1 1   54    9   24 o   25.050   1.0360 4.053000 2.072000 
1 1 1   54    9   25 o   6.6120   1.9930 -1.868000 3.987000 
1 1 1   54    9   26 o   6.3020   1.9320 0.1444000E-01 3.865000 
1 1 1   54    9   27 o   5.8320   1.8530 -0.6944000 3.706000 
1 1 1   54    9   28 o   5.1240   1.6970 -1.043000 3.394000 
1 1 1   54   10    0 o   6.6000   2.6830 -0.000000 0.000000 
1 1 1   54   10    1 o   41.830   0.6901 0.5919000 1.380000 
1 1 1   54   10    2 o   38.040   0.6871 -1.810000 1.374000 
1 1 1   54   10    3 o   65.330   0.7839 -1.366000 1.568000 
1 1 1   54   10    4 o   35.780   0.7186 0.2149000 1.437000 
1 1 1   54   10    5 o   38.240   0.7092 0.1717000E-02 1.418000 
1 1 1   54   10    6 o   41.820   0.7062 -0.4942000 1.412000 
1 1 1   54   10    7 o   9.2640   2.0490 1.985000 4.098000 
1 1 1   54   10    8 o   7.9580   2.0620 0.4440000 4.125000 
1 1 1   54   10    9 o   18.140   1.2730 -5.629000 2.545000 
1 1 1   54   10   10 o   40.270   0.7258 -0.9977000E-01 1.452000 
1 1 1   54   10   11 o   23.220   1.0110 1.143000 2.021000 
1 1 1   54   10   12 o   32.630   0.8132 3.752000 1.626000 
1 1 1   54   10   13 o   18.980   1.2440 0.3715000 2.488000 
1 1 1   54   10   14 o   34.730   0.8118 -0.3097000 1.624000 
1 1 1   54   10   15 o   39.400   0.7893 -1.828000 1.579000 
1 1 1   54   10   16 f   14.780   1.7100 4.325000 3.420000 
1 1 1   54   10   17 o   23.530   1.0660 -1.417000 2.131000 
1 1 1   54   10   18 o   12.250   1.9400 6.308000 3.880000 
1 1 1   54   10   19 o   10.040   2.2070 -0.9740000 4.414000 
1 1 1   54   10   20 o   16.870   1.4750 0.1451000 2.950000 
1 1 1   54   10   21 o   8.0910   2.1760 -1.219000 4.353000 
1 1 1   54   10   22 o   13.470   1.8920 -0.2594000 3.784000 
1 1 1   54   10   23 o   19.340   1.3120 1.459000 2.625000 
1 1 1   54   10   24 o   18.500   1.3790 -0.8100000 2.759000 
1 1 1   54   10   25 o   11.230   2.0710 -3.236000 4.141000 
1 1 1   54   10   26 o   7.2150   1.9010 -5.457000 3.801000 
1 1 1   54   10   27 o   6.3750   1.9480 -0.1113000 3.897000 
1 1 1   54   11    0 o   30.600   1.1680 -0.000000 0.000000 
1 1 1   54   11    1 o   59.460   0.7570 2.795000 1.514000 
1 1 1   54   11    2 o   15.390   1.5620 -6.866000 3.125000 
1 1 1   54   11    3 o   47.850   0.7252 0.3411000 1.450000 
1 1 1   54   11    4 o   31.440   0.8134 0.9286000 1.627000 
1 1 1   54   11    5 o   49.770   0.7249 -0.8910000 1.450000 
1 1 1   54   11    6 o   53.390   0.7445 0.1192000 1.489000 
1 1 1   54   11    7 o   18.720   1.3640 6.456000 2.728000 
1 1 1   54   11    8 o   10.240   1.9570 6.262000 3.914000 
1 1 1   54   11    9 o   18.540   1.3230 2.740000 2.647000 
1 1 1   54   11   10 o   37.050   0.7878 -0.6638000 1.576000 
1 1 1   54   11   11 o   33.920   0.8296 -1.657000 1.659000 
1 1 1   54   11   12 o   35.010   0.8277 -0.4608000 1.655000 
1 1 1   54   11   13 o   18.690   1.3810 3.070000 2.762000 
1 1 1   54   11   14 o   28.020   0.9287 -2.081000 1.857000 
1 1 1   54   11   15 o   31.730   0.8512 -1.117000 1.702000 
1 1 1   54   11   16 o   18.150   1.3940 0.7197000 2.788000 
1 1 1   54   11   17 o   7.7100   2.1680 0.5899000 4.336000 
1 1 1   54   11   18 o   8.7810   2.2540 -0.5805000 4.508000 
1 1 1   54   11   19 o   10.220   2.2300 -2.677000 4.459000 
1 1 1   54   11   20 o   12.420   2.1130 0.6926000 4.226000 
1 1 1   54   11   21 o   6.7290   2.0550 -1.559000 4.110000 
1 1 1   54   11   22 f   8.7620   1.8500 6.855000 3.700000 
1 1 1   54   11   23 o   19.220   1.3490 2.092000 2.698000 
1 1 1   54   11   24 o   8.5170   2.1980 -2.147000 4.396000 
1 1 1   54   11   25 o   8.8670   2.0350 -5.239000 4.071000 
1 1 1   54   11   26 o   9.3270   2.0380 3.934000 4.075000 
1 1 1   54   12    0 o   6.9080   2.8890 -0.000000 0.000000 
1 1 1   54   12    1 o   32.150   0.8303 0.4392000 1.661000 
1 1 1   54   12    2 o   27.940   0.9312 2.381000 1.862000 
1 1 1   54   12    3 o   18.690   1.3280 -0.7095000 2.657000 
1 1 1   54   12    4 o   41.880   0.7644 -4.006000 1.529000 
1 1 1   54   12    5 o   26.360   1.0020 -2.816000 2.004000 
1 1 1   54   12    6 o   31.710   0.8809 -2.443000 1.762000 
1 1 1   54   12    7 o   39.440   0.7931 -1.788000 1.586000 
1 1 1   54   12    8 o   16.760   1.5900 2.193000 3.179000 
1 1 1   54   12    9 o   26.080   1.0390 -3.168000 2.077000 
1 1 1   54   12   10 o   21.010   1.1980 3.035000 2.395000 
1 1 1   54   12   11 o   13.760   1.8670 -3.422000 3.733000 
1 1 1   54   12   12 o   20.640   1.2290 0.7006000 2.459000 
1 1 1   54   12   13 o   7.8660   2.0860 3.341000 4.172000 
1 1 1   54   12   14 o   22.630   1.1690 2.522000 2.337000 
1 1 1   54   12   15 o   15.900   1.7210 1.671000 3.442000 
1 1 1   54   12   16 o   27.090   1.0270 0.4100000 2.053000 
1 1 1   54   12   17 o   16.390   1.6770 -3.844000 3.355000 
1 1 1   54   12   18 o   18.040   1.5350 3.395000 3.070000 
1 1 1   54   12   19 o   13.460   2.0220 2.857000 4.044000 
1 1 1   54   12   20 o   18.660   1.4480 -0.9486000E-01 2.895000 
1 1 1   54   12   21 o   13.000   2.0140 0.2886000 4.028000 
1 1 1   54   12   22 o   6.0590   1.9240 0.8244000 3.848000 
1 1 1   54   12   23 o   13.750   1.9050 -1.033000 3.810000 
1 1 1   54   12   24 o   12.780   1.9620 -2.920000 3.925000 
1 1 1   54   12   25 o   8.9480   2.1920 0.8152000 4.384000 
1 1 1   54   13    0 o   12.570   2.9370 -0.000000 0.000000 
1 1 1   54   13    1 o   29.390   0.9437 -4.240000 1.887000 
1 1 1   54   13    2 o   6.7470   2.0570 -0.2534000 4.115000 
1 1 1   54   13    3 o   27.040   1.0240 1.460000 2.048000 
1 1 1   54   13    4 o   14.480   1.8250 2.251000 3.650000 
1 1 1   54   13    5 o   28.510   0.9957 -1.118000 1.991000 
1 1 1   54   13    6 o   51.310   0.7922 0.1518000 1.584000 
1 1 1   54   13    7 o   12.450   2.0090 -4.228000 4.017000 
1 1 1   54   13    8 o   22.750   1.1190 -1.641000 2.239000 
1 1 1   54   13    9 f   27.460   0.9559 0.3380000 1.912000 
1 1 1   54   13   10 o   31.140   0.8804 -2.196000 1.761000 
1 1 1   54   13   11 o   20.270   1.2960 -0.4362000 2.592000 
1 1 1   54   13   12 o   22.250   1.2480 2.439000 2.497000 
1 1 1   54   13   13 o   11.900   2.1620 -4.445000 4.325000 
1 1 1   54   13   14 o   15.080   1.8840 -1.572000 3.768000 
1 1 1   54   13   15 o   12.410   2.1060 3.770000 4.213000 
1 1 1   54   13   16 o   17.270   1.6770 2.000000 3.354000 
1 1 1   54   13   17 o   18.370   1.5330 -0.6719000 3.067000 
1 1 1   54   13   18 o   7.2680   2.1500 -1.412000 4.300000 
1 1 1   54   13   19 o   13.460   2.0260 -6.577000 4.051000 
1 1 1   54   13   20 o   9.5580   2.3120 0.4839000 4.624000 
1 1 1   54   13   21 o   9.4100   2.1700 -5.244000 4.339000 
1 1 1   54   13   22 o   7.3090   2.1530 -1.691000 4.306000 
1 1 1   54   13   23 o   11.430   2.1860 -0.5782000 4.373000 
1 1 1   54   13   24 o   9.6010   2.1170 3.785000 4.234000 
1 1 1   54   14    0 o   11.870   3.1980 -0.000000 0.000000 
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1 1 1   54   14    2 o   29.660   1.0030 -1.634000 2.005000 
1 1 1   54   14    3 o   22.140   1.1870 -2.120000 2.374000 
1 1 1   54   14    4 o   12.110   2.0300 5.374000 4.060000 
1 1 1   54   14    5 o   10.740   2.1730 3.792000 4.346000 
1 1 1   54   14    6 o   14.980   1.8370 1.404000 3.673000 
1 1 1   54   14    7 o   6.8350   2.0740 -0.9881000 4.148000 
1 1 1   54   14    8 o   17.640   1.5750 3.545000 3.149000 
1 1 1   54   14    9 o   7.2640   2.1290 1.880000 4.259000 
1 1 1   54   14   10 o   15.480   1.8840 1.824000 3.768000 
1 1 1   54   14   11 f   22.620   1.2770 -2.638000 2.555000 
1 1 1   54   14   12 o   14.730   1.9560 -2.210000 3.912000 
1 1 1   54   14   13 o   7.8590   2.2510 -0.6785000 4.502000 
1 1 1   54   14   14 o   13.280   2.1010 -5.060000 4.201000 
1 1 1   54   14   15 o   16.600   1.7730 1.441000 3.545000 
1 1 1   54   14   16 o   11.810   2.2450 -4.429000 4.490000 
1 1 1   54   14   17 o   14.230   2.0500 2.451000 4.100000 
1 1 1   54   14   18 o   7.8040   2.1130 4.233000 4.227000 
1 1 1   54   14   19 o   9.6690   2.3300 1.862000 4.660000 
1 1 1   54   14   20 f   13.560   2.0870 -2.465000 4.174000 
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1 1 1   54   14   23 o   7.9200   2.1360 -4.297000 4.272000 
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1 1 1   54   15    1 o   15.340   1.6960 -0.5835000 3.393000 
1 1 1   54   15    2 o   23.330   1.1060 1.038000 2.213000 
1 1 1   54   15    3 o   15.760   1.8260 -1.061000 3.652000 
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1 1 1   54   15    5 o   7.2230   2.1610 0.3187000 4.323000 
1 1 1   54   15    6 o   9.7430   2.3820 0.4968000 4.764000 
1 1 1   54   15    7 o   12.300   2.2380 3.915000 4.475000 
1 1 1   54   15    8 o   21.450   1.3570 -3.009000 2.715000 
1 1 1   54   15    9 o   7.3920   2.2070 -0.5115000 4.413000 
1 1 1   54   15   10 f   7.4790   2.2050 -2.330000 4.409000 
1 1 1   54   15   11 o   11.520   1.9360 -10.53000 3.871000 
1 1 1   54   15   12 o   12.000   2.2680 -4.842000 4.536000 
1 1 1   54   15   13 o   11.200   2.3600 1.901000 4.720000 
1 1 1   54   15   14 o   8.6460   2.2790 2.995000 4.559000 
1 1 1   54   15   15 o   7.2310   2.1980 -0.7657000 4.395000 
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1 1 1   54   15   19 o   15.550   1.9120 5.310000 3.824000 
1 1 1   54   15   20 o   8.6670   2.2340 1.402000 4.467000 
1 1 1   54   15   21 o   7.0690   2.1160 -0.8534000 4.232000 
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1 1 1   54   16    1 o   24.480   1.1270 0.3285000 2.254000 
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1 1 1   54   16    3 o   8.3940   2.2430 1.994000 4.486000 
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1 1 1   54   16    5 o  10.0000   2.1170 -5.550000 4.233000 
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1 1 1   54   16    7 o   10.160   2.3150 1.357000 4.630000 
1 1 1   54   16    8 o   7.9410   2.2010 2.889000 4.403000 
1 1 1   54   16    9 o   6.2790   1.9920 1.581000 3.983000 
1 1 1   54   16   10 o   8.4830   2.3090 2.347000 4.619000 
1 1 1   54   16   11 o   18.760   1.5950 -1.512000 3.190000 
1 1 1   54   16   12 o   15.440   1.9680 -6.771000 3.936000 
1 1 1   54   16   13 o   10.350   2.3660 0.8856000 4.733000 
1 1 1   54   16   14 o   12.220   2.3360 -1.865000 4.672000 
1 1 1   54   16   15 o   12.940   2.2290 4.190000 4.458000 
1 1 1   54   16   16 o   8.6280   2.2680 -3.887000 4.536000 
1 1 1   54   16   17 f   8.2330   2.2720 -3.247000 4.544000 
1 1 1   54   16   18 o   8.3930   2.1690 -4.413000 4.338000 
1 1 1   54   16   19 o   6.1430   1.9720 0.7743000E-01 3.945000 
1 1 1   54   16   20 o   7.6090   2.1770 -2.406000 4.354000 
1 1 1   54   17    0 o   18.030   2.2210 -0.000000 0.000000 
1 1 1   54   17    1 o   13.200   2.1160 4.932000 4.232000 
1 1 1   54   17    2 o   11.830   2.1750 4.421000 4.349000 
1 1 1   54   17    3 o   8.0970   2.2630 0.9200000E-02 4.526000 
1 1 1   54   17    4 o   7.7520   2.2300 0.6918000 4.460000 
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1 1 1   54   17    6 o   8.0200   2.2550 1.126000 4.510000 
1 1 1   54   17    7 o   7.7680   2.2350 0.1780000 4.469000 
1 1 1   54   17    8 o   16.870   1.6430 1.897000 3.287000 
1 1 1   54   17    9 o   9.8970   2.2420 3.434000 4.484000 
1 1 1   54   17   10 o   11.680   2.2140 -4.009000 4.428000 
1 1 1   54   17   11 o   14.850   1.9600 5.738000 3.920000 
1 1 1   54   17   12 o   9.7640   2.3420 -0.8758000 4.683000 
1 1 1   54   17   13 o   10.060   2.2770 3.532000 4.555000 
1 1 1   54   17   14 o   7.8770   2.1870 3.048000 4.373000 
1 1 1   54   17   15 o   8.5450   2.2150 3.331000 4.430000 
1 1 1   54   17   16 o   8.4580   2.2150 -1.657000 4.429000 
1 1 1   54   17   17 o   7.2110   2.0990 0.8442000 4.199000 
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1 1 1   54   17   19 o   9.9080   2.2770 -5.236000 4.554000 
1 1 1   54   18    0 o   7.0870   3.0540 -0.000000 0.000000 
1 1 1   54   18    1 o   12.560   2.1920 4.426000 4.385000 
1 1 1   54   18    2 o   11.040   2.0040 -8.411000 4.008000 
1 1 1   54   18    3 o   7.9740   2.2310 2.375000 4.461000 
1 1 1   54   18    4 o   11.900   2.2400 3.113000 4.480000 
1 1 1   54   18    5 o   9.0290   2.3220 -0.5082000 4.643000 
1 1 1   54   18    6 o   11.690   2.2450 -3.395000 4.490000 
1 1 1   54   18    7 o   11.640   2.3130 0.7147000 4.627000 
1 1 1   54   18    8 o   9.5960   2.3280 2.602000 4.656000 
1 1 1   54   18    9 f   8.7630   2.3200 -0.1260000 4.640000 
1 1 1   54   18   10 o   11.810   2.2280 -2.053000 4.456000 
1 1 1   54   18   11 o   10.180   2.2130 5.092000 4.426000 
1 1 1   54   18   12 o   8.7390   2.3050 -0.5204000 4.610000 
1 1 1   54   18   13 o   8.8960   2.3060 -0.6490000 4.613000 
1 1 1   54   18   14 o   6.9830   2.0900 -1.597000 4.180000 
1 1 1   54   18   15 o   7.4540   2.1410 -0.7876000 4.281000 
1 1 1   54   18   16 o   6.6580   2.0230 1.807000 4.046000 
1 1 1   54   18   17 o   7.7800   2.1700 0.5220000 4.340000 
1 1 1   54   19    0 o   16.650   2.6000 -0.000000 0.000000 
1 1 1   54   19    1 o   11.840   2.1070 7.629000 4.215000 
1 1 1   54   19    2 o   15.140   1.9660 2.120000 3.931000 
1 1 1   54   19    3 o   6.9470   2.1570 0.6432000E-01 4.315000 
1 1 1   54   19    4 o   7.4780   2.1210 -4.208000 4.243000 
1 1 1   54   19    5 o   9.2920   2.3460 -1.351000 4.693000 
1 1 1   54   19    6 o   7.9100   2.2550 -0.9744000E-01 4.509000 
1 1 1   54   19    7 o   6.2510   2.0060 -0.4458000E-02 4.012000 
1 1 1   54   19    8 o   7.5270   2.1880 -1.592000 4.377000 
1 1 1   54   19    9 o   9.5130   2.3280 -1.170000 4.656000 
1 1 1   54   19   10 o   9.0710   2.1200 5.761000 4.241000 
1 1 1   54   19   11 o   7.2940   2.1620 -0.5618000 4.325000 
1 1 1   54   19   12 f   5.3250   1.7960 -0.2582000 3.591000 
1 1 1   54   19   13 o   10.410   2.1780 -4.417000 4.356000 
1 1 1   54   19   14 o   8.2160   2.1840 3.026000 4.367000 
1 1 1   54   20    0 o   9.8600   3.3740 -0.000000 0.000000 
1 1 1   54   20    1 f   8.2010   2.2450 3.009000 4.491000 
1 1 1   54   20    2 o   7.7880   2.2600 0.1200000 4.521000 
1 1 1   54   20    3 o   10.140   2.0810 -7.181000 4.161000 
1 1 1   54   20    4 o   7.9590   2.2540 -1.771000 4.508000 
1 1 1   54   20    5 o   7.8330   2.2430 0.8534000 4.485000 
1 1 1   54   20    6 o   9.2290   2.3400 0.2910000 4.680000 
1 1 1   54   20    7 o   7.7120   2.2180 0.7663000E-01 4.437000 
1 1 1   54   20    8 o   8.1570   2.2190 2.188000 4.438000 
1 1 1   54   20    9 o   9.3160   2.1870 4.270000 4.373000 
1 1 1   54   20   10 o   6.1930   1.9710 -1.098000 3.943000 
1 1 1   54   20   11 o   6.8940   2.0850 -1.233000 4.169000 
1 1 1   54   21    0 o   6.7000   2.9470 -0.000000 0.000000 
1 1 1   54   21    1 o   6.2130   1.9980 -0.2193000 3.995000 
1 1 1   54   21    2 f   7.9770   2.2460 -0.6960000E-01 4.492000 
1 1 1   54   21    3 o   6.3370   1.9830 -2.794000 3.966000 
1 1 1   54   21    4 o   8.1280   2.0830 5.130000 4.165000 
1 1 1   54   21    5 o   8.9010   2.0570 5.977000 4.114000 
1 1 1   54   21    6 o   7.3790   2.0640 -3.972000 4.129000 
1 1 1   54   21    7 o   9.0540   2.5070 3.830000 5.014000 
1 1 1   55    0    1 o   53.290   0.9229 -0.000000 0.000000 
1 1 1   55    0    2 o   74.470   1.1600 -0.000000 0.000000 
1 1 1   55    0    3 o   48.400   0.8834 -0.000000 0.000000 
1 1 1   55    0    4 o   5.7070   2.3620 -0.000000 0.000000 
1 1 1   55    0    5 o   37.750   0.8541 -0.000000 0.000000 
1 1 1   55    0    6 f   48.030   0.8779 -0.000000 0.000000 
1 1 1   55    0    7 o   10.710   2.1400 -0.000000 0.000000 
1 1 1   55    0    8 o   53.260   0.9300 -0.000000 0.000000 
1 1 1   55    0    9 o   57.720   0.9640 -0.000000 0.000000 
1 1 1   55    0   10 o   24.910   1.0100 -0.000000 0.000000 
1 1 1   55    0   11 o   65.970   1.0620 -0.000000 0.000000 
1 1 1   55    0   12 o   20.510   1.2110 -0.000000 0.000000 
1 1 1   55    0   13 o   81.840   1.2680 -0.000000 0.000000 
1 1 1   55    0   14 o   4.6210   2.1570 -0.000000 0.000000 
1 1 1   55    0   15 o   8.5440   2.6670 -0.000000 0.000000 
1 1 1   55    0   16 o   15.130   1.8230 -0.000000 0.000000 
1 1 1   55    0   17 o   24.210   1.1990 -0.000000 0.000000 
1 1 1   55    0   18 o   16.470   1.6800 -0.000000 0.000000 
1 1 1   55    0   19 o   5.1680   2.3440 -0.000000 0.000000 
1 1 1   55    0   20 o   16.620   1.6780 -0.000000 0.000000 
1 1 1   55    0   21 o   27.200   1.1660 -0.000000 0.000000 
1 1 1   55    0   22 o   6.2320   2.6470 -0.000000 0.000000 
1 1 1   55    0   23 o   44.950   1.0040 -0.000000 0.000000 
1 1 1   55    0   24 o   28.920   1.1740 -0.000000 0.000000 
1 1 1   55    0   25 o   8.2350   2.9020 -0.000000 0.000000 
1 1 1   55    0   26 o   16.800   1.7280 -0.000000 0.000000 
1 1 1   55    0   27 o   5.2570   2.4090 -0.000000 0.000000 
1 1 1   55    0   28 o   13.060   2.2040 -0.000000 0.000000 
1 1 1   55    0   29 o   23.010   1.1860 -0.000000 0.000000 
1 1 1   55    0   30 o   8.2260   2.6360 -0.000000 0.000000 
1 1 1   55    1    0 f   9.9340   1.7180 -0.000000 0.000000 
1 1 1   55    1    1 o   46.310   0.4927 5.533000 0.9854000 
1 1 1   55    1    2 o   16.910   0.7087 0.5104000 1.417000 
1 1 1   55    1    3 o   47.970   0.4991 4.712000 0.9982000 
1 1 1   55    1    4 o   36.010   0.4767 4.933000 0.9534000 
1 1 1   55    1    5 o   24.750   0.5447 1.006000 1.089000 
1 1 1   55    1    6 o   57.040   0.5494 3.895000 1.099000 
1 1 1   55    1    7 o   49.230   0.5092 -3.968000 1.018000 
1 1 1   55    1    8 o   18.180   0.7245 3.385000 1.449000 
1 1 1   55    1    9 f   37.110   0.4756 -2.517000 0.9511000 
1 1 1   55    1   10 o   7.6140   1.3930 -5.110000 2.786000 
1 1 1   55    1   11 o   24.840   0.6275 0.8727000 1.255000 
1 1 1   55    1   12 o   78.020   0.7839 -1.958000 1.568000 
1 1 1   55    1   13 o   48.260   0.5827 0.4137000 1.165000 
1 1 1   55    1   14 o   11.150   1.3550 -0.1219000 2.709000 
1 1 1   55    1   15 o   15.580   1.1050 3.985000 2.211000 
1 1 1   55    1   16 o   6.3350   1.6440 -4.525000 3.288000 
1 1 1   55    1   17 o   14.510   1.2650      ?      ? 
1 1 1   55    1   18 o   40.990   0.6625 -1.218000 1.325000 
1 1 1   55    1   19 o   10.250   1.7410 -5.778000 3.482000 
1 1 1   55    1   20 o   22.950   0.9236 -2.123000 1.847000 
1 1 1   55    1   21 o   12.250   1.7150 0.4429000 3.429000 
1 1 1   55    1   22 o   16.580   1.2880 0.8663000 2.576000 
1 1 1   55    1   23 o   17.740   1.2670 -2.166000 2.533000 
1 1 1   55    1   24 o   34.890   0.7381 2.404000 1.476000 
1 1 1   55    1   25 o   9.2370   1.9240 -3.853000 3.848000 
1 1 1   55    1   26 f   11.430   1.7980 -1.167000 3.596000 
1 1 1   55    1   27 o   8.5330   1.9530 3.391000 3.906000 
1 1 1   55    1   28 o   18.130   1.1680 -3.974000 2.336000 
1 1 1   55    1   29 f   5.7150   1.7440 0.6202000 3.489000 
1 1 1   55    1   30 o   15.560   1.1590 2.915000 2.319000 
1 1 1   55    2    0 o   53.060   0.9016 -0.000000 0.000000 
1 1 1   55    2    1 o   42.840   0.5824 -0.1311000 1.165000 
1 1 1   55    2    2 o   53.320   0.6394 4.263000 1.279000 
1 1 1   55    2    3 o   45.150   0.5918 4.371000 1.184000 
1 1 1   55    2    4 o   11.240   1.3080 -1.441000 2.615000 
1 1 1   55    2    5 f   29.500   0.6043 1.222000 1.209000 
1 1 1   55    2    6 o   29.360   0.5470 -4.855000 1.094000 
1 1 1   55    2    7 o   56.140   0.5997 4.585000 1.199000 
1 1 1   55    2    8 o   47.760   0.5586 0.7668000 1.117000 
1 1 1   55    2    9 o   18.500   0.8066 5.856000 1.613000 
1 1 1   55    2   10 o   42.190   0.5381 0.5438000 1.076000 
1 1 1   55    2   11 o   41.250   0.5405 0.8213000 1.081000 
1 1 1   55    2   12 o   36.390   0.5428 -5.522000 1.086000 
1 1 1   55    2   13 o   74.520   0.6760 -0.8103000 1.352000 
1 1 1   55    2   14 o   60.010   0.5787 -1.961000 1.157000 
1 1 1   55    2   15 o   41.010   0.5126 -2.063000 1.025000 
1 1 1   55    2   16 o   19.930   0.7430 -0.3581000 1.486000 
1 1 1   55    2   17 o   31.370   0.5578 -1.931000 1.116000 
1 1 1   55    2   18 o   30.080   0.5774 0.5577000 1.155000 
1 1 1   55    2   19 o   14.090   1.1430 2.274000 2.286000 
1 1 1   55    2   20 o   37.290   0.6144 -0.1064000 1.229000 
1 1 1   55    2   21 o   18.320   0.9685 -2.346000 1.937000 
1 1 1   55    2   22 o   5.0530   1.6240 -1.274000 3.247000 
1 1 1   55    2   23 o   35.570   0.6471 -3.995000 1.294000 
1 1 1   55    2   24 o   23.350   0.8405 -2.348000 1.681000 
1 1 1   55    2   25 o   8.1510   1.9110 -1.050000 3.821000 
1 1 1   55    2   26 o   13.020   1.5020 2.956000 3.004000 
1 1 1   55    2   27 o   12.800   1.6990 -4.611000 3.397000 
1 1 1   55    2   28 f   17.130   1.2810 -5.858000 2.563000 
1 1 1   55    2   29 f   22.170   0.9282 -0.1915000 1.856000 
1 1 1   55    2   30 o   8.1860   1.9000 -0.3072000 3.800000 
1 1 1   55    3    0 o   41.930   0.8194 -0.000000 0.000000 
1 1 1   55    3    1 o   38.730   0.5781 1.974000 1.156000 
1 1 1   55    3    2 o   26.540   0.6271 -0.8701000 1.254000 
1 1 1   55    3    3 o   17.980   0.8407 -0.7375000 1.681000 
1 1 1   55    3    4 o   44.600   0.5952 0.1432000 1.190000 
1 1 1   55    3    5 o   43.040   0.5859 -0.5949000 1.172000 
1 1 1   55    3    6 o   50.320   0.6224 -2.895000 1.245000 
1 1 1   55    3    7 o   41.160   0.5841 1.696000 1.168000 
1 1 1   55    3    8 o   85.040   0.9180 2.633000 1.836000 
1 1 1   55    3    9 o   50.900   0.6305 -3.676000 1.261000 
1 1 1   55    3   10 o   16.850   0.9381 2.969000 1.876000 
1 1 1   55    3   11 o   53.530   0.6585 -8.712000 1.317000 
1 1 1   55    3   12 o   31.230   0.6267 -0.7023000 1.253000 
1 1 1   55    3   13 o   34.820   0.6075 -3.498000 1.215000 
1 1 1   55    3   14 o   15.330   1.0740 -0.4650000 2.149000 
1 1 1   55    3   15 o   35.410   0.6246 -0.1912000 1.249000 
1 1 1   55    3   16 o   26.560   0.7310 -1.095000 1.462000 
1 1 1   55    3   17 f   16.240   1.0420 -5.146000 2.084000 
1 1 1   55    3   18 o   26.100   0.7061 0.8890000 1.412000 
1 1 1   55    3   19 o   35.510   0.6209 -1.786000 1.242000 
1 1 1   55    3   20 o   30.360   0.6763 3.465000 1.353000 
1 1 1   55    3   21 o   25.790   0.7694 -3.254000 1.539000 
1 1 1   55    3   22 o   20.410   0.9289 -1.847000 1.858000 
1 1 1   55    3   23 o   28.800   0.7262 -1.862000 1.452000 
1 1 1   55    3   24 o   36.250   0.6068 1.344000 1.214000 
1 1 1   55    3   25 o   8.4950   1.7100 -4.977000 3.421000 
1 1 1   55    3   26 o   20.460   0.9454 -0.2183000 1.891000 
1 1 1   55    3   27 o   7.1060   1.8010 1.981000 3.602000 
1 1 1   55    3   28 o   6.6790   1.7810 -4.258000 3.562000 
1 1 1   55    3   29 f   7.2820   1.8120 -1.221000 3.623000 
1 1 1   55    3   30 o   9.5700   1.6570 -1.142000 3.313000 
1 1 1   55    4    0 o   22.870   0.9798 -0.000000 0.000000 
1 1 1   55    4    1 o   24.130   0.6963 -2.462000 1.393000 
1 1 1   55    4    2 o   57.060   0.6755 -2.465000 1.351000 
1 1 1   55    4    3 o   50.030   0.6262 -1.779000 1.252000 
1 1 1   55    4    4 o   60.540   0.6993 -2.998000 1.399000 
1 1 1   55    4    5 f   62.630   0.7191 -2.867000 1.438000 
1 1 1   55    4    6 o   42.600   0.5932 -1.972000 1.186000 
1 1 1   55    4    7 o   49.670   0.6239 1.409000 1.248000 
1 1 1   55    4    8 o   21.660   0.7592 3.077000 1.518000 
1 1 1   55    4    9 o   13.630   1.2050 4.137000 2.411000 
1 1 1   55    4   10 o   34.300   0.6103 -1.554000 1.221000 
1 1 1   55    4   11 o   37.860   0.6072 0.1024000 1.214000 
1 1 1   55    4   12 o   8.1380   1.6640 -4.371000 3.329000 
1 1 1   55    4   13 o   44.520   0.6272 -3.129000 1.254000 
1 1 1   55    4   14 o   35.290   0.6366 -0.2471000 1.273000 
1 1 1   55    4   15 o   20.220   0.9061 0.3622000E-01 1.812000 
1 1 1   55    4   16 o   6.1620   1.7510 2.132000 3.501000 
1 1 1   55    4   17 o   52.130   0.6818 1.080000 1.364000 
1 1 1   55    4   18 o   24.730   0.8086 -3.144000 1.617000 
1 1 1   55    4   19 o   19.060   1.0390 -0.1232000 2.078000 
1 1 1   55    4   20 o   9.1810   1.8880 3.714000 3.776000 
1 1 1   55    4   21 o   35.660   0.7163 3.710000 1.433000 
1 1 1   55    4   22 o   13.720   1.6130 -3.769000 3.226000 
1 1 1   55    4   23 f   16.200   1.4040 4.885000 2.808000 
1 1 1   55    4   24 o   8.0670   1.8940 2.198000 3.788000 
1 1 1   55    4   25 o   19.150   1.0680 0.8750000 2.135000 
1 1 1   55    4   26 o   7.5070   1.9260 -3.224000 3.852000 
1 1 1   55    4   27 o   29.140   0.7565 1.695000 1.513000 
1 1 1   55    4   28 o   5.7350   1.7440 -0.5923000 3.488000 
1 1 1   55    4   29 o   14.050   1.3260 0.8767000 2.651000 
1 1 1   55    4   30 o   9.9830   1.5470 5.718000 3.094000 
1 1 1   55    5    0 f   38.590   0.8321 -0.000000 0.000000 
1 1 1   55    5    1 o   35.600   0.5994 -0.4474000 1.199000 
1 1 1   55    5    2 o   6.4810   1.7160 1.232000 3.431000 
1 1 1   55    5    3 o   45.970   0.6099 0.3587000 1.220000 
1 1 1   55    5    4 o   35.020   0.5966 0.3448000 1.193000 
1 1 1   55    5    5 o   32.250   0.6253 -7.066000 1.251000 
1 1 1   55    5    6 o   29.030   0.6274 -2.139000 1.255000 
1 1 1   55    5    7 o   26.050   0.6664 1.164000 1.333000 
1 1 1   55    5    8 o   36.670   0.6109 -6.524000 1.222000 
1 1 1   55    5    9 o   23.780   0.7356 -1.803000 1.471000 
1 1 1   55    5   10 o   9.8490   1.4590 -8.150000 2.918000 
1 1 1   55    5   11 o   42.620   0.6216 2.450000 1.243000 
1 1 1   55    5   12 o   28.540   0.6892 0.1537000 1.378000 
1 1 1   55    5   13 o   29.840   0.6854 -1.052000 1.371000 
1 1 1   55    5   14 o   51.530   0.6763 -1.169000 1.353000 
1 1 1   55    5   15 o   31.090   0.6852 -1.691000 1.370000 
1 1 1   55    5   16 o   29.510   0.7249 -1.633000 1.450000 
1 1 1   55    5   17 o   26.070   0.7985 -0.4904000 1.597000 
1 1 1   55    5   18 o   11.930   1.6650 2.795000 3.330000 
1 1 1   55    5   19 o   11.350   1.7600 -5.801000 3.521000 
1 1 1   55    5   20 o   26.940   0.8553 -0.1480000 1.711000 
1 1 1   55    5   21 o   27.310   0.8664 0.4128000 1.733000 
1 1 1   55    5   22 f   6.4060   1.8710 2.345000 3.742000 
1 1 1   55    5   23 o   9.4180   1.7970 6.795000 3.594000 
1 1 1   55    5   24 o   12.680   1.8570 -0.4566000E-02 3.714000 
1 1 1   55    5   25 o   8.2300   1.9200 4.088000 3.840000 
1 1 1   55    5   26 o   11.150   2.9610      ?      ? 
1 1 1   55    5   27 o   10.700   1.9250 -0.3089000 3.850000 
1 1 1   55    5   28 o   14.690   1.4300 2.531000 2.859000 
1 1 1   55    5   29 o   10.220   1.7020 -0.5464000 3.404000 
1 1 1   55    5   30 o   9.4590   1.8510 -2.406000 3.702000 
1 1 1   55    6    0 o   18.440   1.2660 -0.000000 0.000000 
1 1 1   55    6    1 f   13.030   1.3080 1.941000 2.616000 
1 1 1   55    6    2 o   20.240   0.8436 -0.4906000 1.687000 
1 1 1   55    6    3 o   14.990   1.1260 -1.536000 2.252000 
1 1 1   55    6    4 o   21.930   0.7941 1.160000 1.588000 
1 1 1   55    6    5 o   28.100   0.6730 -3.450000 1.346000 
1 1 1   55    6    6 o   12.340   1.4040 -4.001000 2.808000 
1 1 1   55    6    7 o   39.700   0.6038 -2.016000 1.208000 
1 1 1   55    6    8 o   40.010   0.6261 2.132000 1.252000 
1 1 1   55    6    9 o   78.920   0.8694 -1.159000 1.739000 
1 1 1   55    6   10 o   20.030   0.8893 4.519000 1.779000 
1 1 1   55    6   11 o   41.390   0.6373 -1.623000 1.275000 
1 1 1   55    6   12 o   46.390   0.6544 3.307000 1.309000 
1 1 1   55    6   13 o   25.180   0.7972 0.8135000 1.594000 
1 1 1   55    6   14 o   38.610   0.6647 1.497000 1.329000 
1 1 1   55    6   15 o   21.140   0.9558 2.362000 1.912000 
1 1 1   55    6   16 o   26.280   0.8204 -2.063000 1.641000 
1 1 1   55    6   17 o   70.600   0.8159 -0.2566000 1.632000 
1 1 1   55    6   18 o   7.2230   1.8930 3.227000 3.787000 
1 1 1   55    6   19 o   8.3840   1.9110 4.374000 3.822000 
1 1 1   55    6   20 o   17.620   1.2800 -2.329000 2.559000 
1 1 1   55    6   21 o   17.760   1.3610 4.223000 2.722000 
1 1 1   55    6   22 o   25.230   0.9632 1.226000 1.926000 
1 1 1   55    6   23 o   11.870   1.9630 -2.752000 3.925000 
1 1 1   55    6   24 o   19.740   1.2410 -0.4194000 2.481000 
1 1 1   55    6   25 o   19.950   1.1910 -1.935000 2.383000 
1 1 1   55    6   26 o   17.150   1.2600 1.049000 2.519000 
1 1 1   55    6   27 o   12.760   1.6430 1.896000 3.285000 
1 1 1   55    6   28 o   16.540   1.2440 -0.7523000 2.489000 
1 1 1   55    6   29 o   5.2160   1.6700 -0.3126000 3.340000 
1 1 1   55    7    0 o   13.960   1.8010 -0.000000 0.000000 
1 1 1   55    7    1 o   52.400   0.6714 -2.838000 1.343000 
1 1 1   55    7    2 o   44.450   0.6356 1.884000 1.271000 
1 1 1   55    7    3 o   19.120   0.9568 4.997000 1.914000 
1 1 1   55    7    4 o   49.730   0.6568 0.8236000 1.314000 
1 1 1   55    7    5 o   22.190   0.8276 1.242000 1.655000 
1 1 1   55    7    6 o   61.700   0.7275 -1.313000 1.455000 
1 1 1   55    7    7 f   42.190   0.6337 0.4274000 1.267000 
1 1 1   55    7    8 o   47.480   0.6539 -4.436000 1.308000 
1 1 1   55    7    9 o   19.780   0.9203 -0.2117000 1.841000 
1 1 1   55    7   10 o   34.790   0.6665 -0.7716000 1.333000 
1 1 1   55    7   11 o   75.810   0.8504 -2.037000 1.701000 
1 1 1   55    7   12 o   58.060   0.7173 -0.5264000 1.435000 
1 1 1   55    7   13 o   23.160   0.9136 -6.365000 1.827000 
1 1 1   55    7   14 o   36.910   0.6975 -0.8954000 1.395000 
1 1 1   55    7   15 o   22.850   0.9456 -0.3535000 1.891000 
1 1 1   55    7   16 o   9.7210   1.9280 -4.306000 3.857000 
1 1 1   55    7   17 o   7.7360   2.0430 0.9984000 4.087000 
1 1 1   55    7   18 o   46.470   0.7097 -1.788000 1.419000 
1 1 1   55    7   19 o   15.860   1.4690 -3.303000 2.939000 
1 1 1   55    7   20 o   15.130   1.7270 8.630000 3.453000 
1 1 1   55    7   21 o   12.670   1.9090 1.858000 3.819000 
1 1 1   55    7   22 o   8.4500   2.1570 -0.2166000E-01 4.315000 
1 1 1   55    7   23 o   6.7200   1.9270 -4.374000 3.854000 
1 1 1   55    7   24 o   16.930   1.3500 -4.832000 2.700000 
1 1 1   55    7   25 o   7.8010   2.0420 0.9096000 4.083000 
1 1 1   55    7   26 o   15.730   1.4330 0.9918000 2.866000 
1 1 1   55    7   27 o   9.2500   1.9490 2.555000 3.898000 
1 1 1   55    7   28 o   6.4540   1.8720 0.1600000 3.745000 
1 1 1   55    7   29 f   10.740   1.7820 2.905000 3.564000 
1 1 1   55    8    0 o   52.000   0.9581 -0.000000 0.000000 
1 1 1   55    8    1 o   9.7450   1.7890 2.355000 3.578000 
1 1 1   55    8    2 o   42.390   0.6535 -3.043000 1.307000 
1 1 1   55    8    3 o   48.060   0.6510 -0.8049000 1.302000 
1 1 1   55    8    4 o   10.280   1.7390 3.663000 3.477000 
1 1 1   55    8    5 o   9.8950   1.7420 -3.383000 3.485000 
1 1 1   55    8    6 o   22.820   0.8822 -7.431000 1.764000 
1 1 1   55    8    7 o   22.340   0.8587 0.8791000 1.717000 
1 1 1   55    8    8 o   40.130   0.6624 -2.365000 1.325000 
1 1 1   55    8    9 f   11.480   1.6230 -0.4683000E-01 3.245000 
1 1 1   55    8   10 o   38.370   0.6773 -1.490000 1.355000 
1 1 1   55    8   11 o   42.960   0.6707 -1.010000 1.341000 
1 1 1   55    8   12 o   50.050   0.6952 2.410000 1.390000 
1 1 1   55    8   13 o   10.480   1.8980 3.180000 3.795000 
1 1 1   55    8   14 o   45.500   0.6948 -0.9245000 1.390000 
1 1 1   55    8   15 o   29.070   0.8367 -0.8247000E-01 1.673000 
1 1 1   55    8   16 o   25.710   0.9288 0.8064000E-01 1.858000 
1 1 1   55    8   17 o   37.410   0.7718 -4.568000 1.544000 
1 1 1   55    8   18 o   18.140   1.3170 1.531000 2.635000 
1 1 1   55    8   19 f   12.050   2.0290 0.1993000 4.057000 
1 1 1   55    8   20 o   6.8260   2.9090      ?      ? 
1 1 1   55    8   21 o   7.4970   2.1340 1.881000 4.269000 
1 1 1   55    8   22 o   10.290   1.9420 5.865000 3.883000 
1 1 1   55    8   23 o   6.0470   1.9100 -0.9483000 3.821000 
1 1 1   55    8   24 o   18.750   1.2880 -0.2051000 2.576000 
1 1 1   55    8   25 o   23.020   1.0680 1.839000 2.136000 
1 1 1   55    8   26 o   7.9320   1.8690 4.743000 3.738000 
1 1 1   55    8   27 o   11.170   1.9300 1.013000 3.859000 
1 1 1   55    8   28 o   11.350   1.8620 4.719000 3.725000 
1 1 1   55    9    0 o   15.760   1.6890 -0.000000 0.000000 
1 1 1   55    9    1 o   24.150   0.8496 0.4927000 1.699000 
1 1 1   55    9    2 o   40.670   0.6672 1.391000 1.334000 
1 1 1   55    9    3 f   5.2940   1.6860 -1.683000 3.371000 
1 1 1   55    9    4 o   26.110   0.8169 -1.357000 1.634000 
1 1 1   55    9    5 o   53.330   0.7010 0.3700000 1.402000 
1 1 1   55    9    6 o   24.930   0.8655 -0.4493000 1.731000 
1 1 1   55    9    7 o   29.640   0.7681 -1.270000 1.536000 
1 1 1   55    9    8 o   39.260   0.6882 1.708000 1.376000 
1 1 1   55    9    9 o   20.340   1.0420 0.2581000 2.085000 
1 1 1   55    9   10 o   19.640   1.0850 -2.639000 2.169000 
1 1 1   55    9   11 o   43.620   0.7007 -1.280000 1.401000 
1 1 1   55    9   12 o   31.630   0.7747 4.732000 1.549000 
1 1 1   55    9   13 o   54.210   0.7365 1.105000 1.473000 
1 1 1   55    9   14 o   21.690   1.1150 3.718000 2.230000 
1 1 1   55    9   15 o   66.430   0.8135 -1.236000 1.627000 
1 1 1   55    9   16 o   48.290   0.7453 -0.1190000 1.491000 
1 1 1   55    9   17 o   18.240   1.4060 -1.767000 2.812000 
1 1 1   55    9   18 o   36.260   0.8059 0.7528000 1.612000 
1 1 1   55    9   19 o   23.170   1.1350 -1.128000 2.269000 
1 1 1   55    9   20 o   6.6450   1.9120 3.099000 3.825000 
1 1 1   55    9   21 o   11.140   2.0500 -4.284000 4.100000 
1 1 1   55    9   22 o   8.5720   2.1840 -0.1453000 4.369000 
1 1 1   55    9   23 o   7.2050   1.9920 2.913000 3.984000 
1 1 1   55    9   24 o   10.900   2.1280 0.2975000 4.257000 
1 1 1   55    9   25 o   11.640   2.0030 2.724000 4.005000 
1 1 1   55    9   26 o   8.7540   2.1210 -0.5998000 4.241000 
1 1 1   55    9   27 o   7.8600   2.0290 -4.613000 4.059000 
1 1 1   55    9   28 o   7.4940   2.0500 1.201000 4.100000 
1 1 1   55   10    0 o   42.310   0.9992 -0.000000 0.000000 
1 1 1   55   10    1 o   6.8640   1.8500 -3.397000 3.700000 
1 1 1   55   10    2 o   32.730   0.7491 -1.284000 1.498000 
1 1 1   55   10    3 o   63.340   0.7707 -0.3041000 1.541000 
1 1 1   55   10    4 o   68.180   0.8053 1.192000 1.611000 
1 1 1   55   10    5 o   22.460   0.9950 0.1818000 1.990000 
1 1 1   55   10    6 o   5.9450   1.8470 -0.3029000 3.693000 
1 1 1   55   10    7 o   13.380   1.7140 -5.696000 3.428000 
1 1 1   55   10    8 o   21.010   1.0760 -0.4143000 2.151000 
1 1 1   55   10    9 o   23.160   0.9866 -0.9640000 1.973000 
1 1 1   55   10   10 o   9.0280   2.0860 -0.2656000 4.173000 
1 1 1   55   10   11 o   15.630   1.4990 1.517000 2.999000 
1 1 1   55   10   12 o   37.030   0.7527 0.9802000E-01 1.505000 
1 1 1   55   10   13 o   26.750   0.9544 1.968000 1.909000 
1 1 1   55   10   14 o   24.910   1.0710 0.7455000 2.141000 
1 1 1   55   10   15 o   13.750   1.9280 5.402000 3.856000 
1 1 1   55   10   16 o   10.720   2.1950 -0.9399000 4.389000 
1 1 1   55   10   17 o   23.220   1.0800 -1.555000 2.160000 
1 1 1   55   10   18 o   10.890   2.1480 -3.487000 4.296000 
1 1 1   55   10   19 o   12.860   1.9440 -2.650000 3.887000 
1 1 1   55   10   20 o   14.720   1.7440 0.6595000E-01 3.488000 
1 1 1   55   10   21 o   9.9820   2.1600 1.956000 4.320000 
1 1 1   55   10   22 o   8.1180   2.1540 0.2964000 4.308000 
1 1 1   55   10   23 o   9.9020   1.9170 -8.391000 3.835000 
1 1 1   55   10   24 o   8.6650   2.1140 2.701000 4.229000 
1 1 1   55   10   25 o   6.0460   1.9080 0.2429000 3.815000 
1 1 1   55   10   26 o   13.290   1.8150 -1.303000 3.629000 
1 1 1   55   10   27 o   5.9070   1.8690 -1.757000 3.738000 
1 1 1   55   11    0 o   43.100   1.0180 -0.000000 0.000000 
1 1 1   55   11    1 o   18.890   1.1820 0.2652000E-01 2.363000 
1 1 1   55   11    2 o   43.020   0.7208 1.628000 1.442000 
1 1 1   55   11    3 o   36.400   0.7594 -1.668000 1.519000 
1 1 1   55   11    4 o   69.130   0.8238 -0.9124000 1.648000 
1 1 1   55   11    5 o   72.880   0.8548 0.6267000 1.710000 
1 1 1   55   11    6 o   30.480   0.8542 1.158000 1.708000 
1 1 1   55   11    7 o   22.190   1.0730 2.624000 2.146000 
1 1 1   55   11    8 o   40.750   0.7463 1.086000 1.493000 
1 1 1   55   11    9 o   24.430   1.0230 -2.687000 2.046000 
1 1 1   55   11   10 o   47.250   0.7441 -0.5053000 1.488000 
1 1 1   55   11   11 o   9.1790   2.2150 -0.7793000E-01 4.429000 
1 1 1   55   11   12 o   10.300   2.1810 -1.164000 4.362000 
1 1 1   55   11   13 o   47.490   0.7747 0.2366000E-01 1.549000 
1 1 1   55   11   14 o   31.220   0.8687 1.622000 1.737000 
1 1 1   55   11   15 o   13.990   1.8510 -0.9622000 3.702000 
1 1 1   55   11   16 o   6.4600   1.9850 -1.670000 3.971000 
1 1 1   55   11   17 o   33.440   0.8560 -1.657000 1.712000 
1 1 1   55   11   18 o   9.9140   2.2760 -1.639000 4.553000 
1 1 1   55   11   19 o   20.310   1.3440 1.742000 2.687000 
1 1 1   55   11   20 o   9.0280   2.2470 0.8102000 4.495000 
1 1 1   55   11   21 o   7.5580   2.1840 0.1096000 4.369000 
1 1 1   55   11   22 o   8.6890   2.2040 0.7461000 4.408000 
1 1 1   55   11   23 o   11.890   2.0380 3.197000 4.076000 
1 1 1   55   11   24 o   7.9460   2.1430 -1.944000 4.286000 
1 1 1   55   11   25 o   10.510   2.1200 1.187000 4.239000 
1 1 1   55   11   26 o   7.9790   2.0400 -5.206000 4.080000 
1 1 1   55   12    0 o   21.900   1.6310 -0.000000 0.000000 
1 1 1   55   12    1 o   46.880   0.7414 -0.2429000 1.483000 
1 1 1   55   12    2 o   27.340   0.9415 -4.527000 1.883000 
1 1 1   55   12    3 o   31.330   0.8698 -3.046000 1.740000 
1 1 1   55   12    4 o   7.3080   2.0920 1.272000 4.183000 
1 1 1   55   12    5 f   22.230   1.1800 1.100000 2.360000 
1 1 1   55   12    6 o   22.650   1.1460 -1.732000 2.291000 
1 1 1   55   12    7 o   6.8720   2.0550 0.9070000 4.109000 
1 1 1   55   12    8 o   22.920   1.1420 -0.4192000 2.283000 
1 1 1   55   12    9 f   48.430   0.7577 -0.2206000 1.515000 
1 1 1   55   12   10 o   32.620   0.9002 -2.446000 1.800000 
1 1 1   55   12   11 o   12.690   1.9110 -5.276000 3.821000 
1 1 1   55   12   12 o   35.750   0.7994 -0.7880000 1.599000 
1 1 1   55   12   13 o   11.690   2.0980 2.484000 4.196000 
1 1 1   55   12   14 o   7.8580   2.1620 -3.243000 4.324000 
1 1 1   55   12   15 o   28.570   1.0660 3.571000 2.132000 
1 1 1   55   12   16 o   22.450   1.2670 -6.030000 2.533000 
1 1 1   55   12   17 o   8.8260   2.2900 -0.9840000 4.580000 
1 1 1   55   12   18 o   18.060   1.5040 -1.316000 3.008000 
1 1 1   55   12   19 o   10.770   2.2590 -2.793000 4.517000 
1 1 1   55   12   20 o   7.6600   2.1170 2.797000 4.233000 
1 1 1   55   12   21 o   6.4770   1.9920 2.214000 3.983000 
1 1 1   55   12   22 o   8.9780   2.2220 0.9697000 4.445000 
1 1 1   55   12   23 o   12.200   2.0300 4.738000 4.059000 
1 1 1   55   12   24 o   11.590   2.0550 3.023000 4.109000 
1 1 1   55   12   25 o   7.6990   2.1290 -1.989000 4.258000 
1 1 1   55   13    0 o   10.980   3.1700 -0.000000 0.000000 
1 1 1   55   13    1 f   44.620   0.7834 3.391000 1.567000 
1 1 1   55   13    2 o   20.410   1.2930 0.5749000 2.586000 
1 1 1   55   13    3 o   22.140   1.2090 3.164000 2.418000 
1 1 1   55   13    4 o   7.7250   2.1790 -2.050000 4.358000 
1 1 1   55   13    5 o   19.850   1.3890 -1.195000 2.779000 
1 1 1   55   13    6 o   15.350   1.8280 0.5487000E-01 3.657000 
1 1 1   55   13    7 o   21.130   1.3340 -4.135000 2.668000 
1 1 1   55   13    8 o   16.490   1.5690 -2.010000 3.138000 
1 1 1   55   13    9 o   29.470   0.9315 1.336000 1.863000 
1 1 1   55   13   10 o   8.4570   2.1760 2.731000 4.352000 
1 1 1   55   13   11 o   17.250   1.6680 4.285000 3.336000 
1 1 1   55   13   12 o   14.760   1.9020 1.296000 3.803000 
1 1 1   55   13   13 o   10.060   2.3410 0.5087000 4.682000 
1 1 1   55   13   14 o   13.050   2.0950 -2.357000 4.191000 
1 1 1   55   13   15 o   6.6640   2.0180 -3.846000 4.036000 
1 1 1   55   13   16 o   18.510   1.6120 3.711000 3.224000 
1 1 1   55   13   17 o   10.200   2.1730 -6.524000 4.346000 
1 1 1   55   13   18 o   9.1020   2.3000 1.623000 4.599000 
1 1 1   55   13   19 o   17.060   1.6530 -4.255000 3.307000 
1 1 1   55   13   20 o   9.5940   2.2870 -2.468000 4.574000 
1 1 1   55   13   21 o   14.300   1.9470 3.691000 3.893000 
1 1 1   55   13   22 o   9.0240   2.2840 -0.8082000 4.569000 
1 1 1   55   13   23 o   12.770   2.0490 -2.074000 4.099000 
1 1 1   55   13   24 o   8.0360   2.1270 -4.597000 4.254000 
1 1 1   55   14    0 o   21.910   1.8570 -0.000000 0.000000 
1 1 1   55   14    1 o   16.460   1.7240 -1.715000 3.447000 
1 1 1   55   14    2 o   27.980   1.0600 -2.530000 2.120000 
1 1 1   55   14    3 o   24.820   1.1900 -2.791000 2.379000 
1 1 1   55   14    4 o   20.240   1.3170 -2.840000 2.635000 
1 1 1   55   14    5 o   22.170   1.2170 -0.7916000 2.435000 
1 1 1   55   14    6 o   6.4990   2.0390 0.1445000 4.079000 
1 1 1   55   14    7 o   12.280   2.1920 -1.234000 4.385000 
1 1 1   55   14    8 o   25.400   1.1160 -0.2000000 2.232000 
1 1 1   55   14    9 o   20.280   1.3780 2.747000 2.755000 
1 1 1   55   14   10 o   6.2390   1.9990 -0.2545000 3.998000 
1 1 1   55   14   11 o   11.150   2.1950 3.923000 4.390000 
1 1 1   55   14   12 o   10.130   2.1920 5.094000 4.383000 
1 1 1   55   14   13 o   10.510   2.3500 -0.4870000E-01 4.700000 
1 1 1   55   14   14 o   7.0490   2.1570 0.4717000 4.313000 
1 1 1   55   14   15 o   27.230   1.0950 1.934000 2.190000 
1 1 1   55   14   16 o   9.6510   2.3610 -0.7880000 4.722000 
1 1 1   55   14   17 o   11.390   2.3050 -0.6630000 4.611000 
1 1 1   55   14   18 o   9.2070   2.3490 1.232000 4.699000 
1 1 1   55   14   19 o   15.750   1.8140 -1.860000 3.629000 
1 1 1   55   14   20 o   9.3270   2.2340 -4.875000 4.469000 
1 1 1   55   14   21 o   8.0500   2.2450 0.8464000E-01 4.490000 
1 1 1   55   14   22 f   9.6850   2.0680 5.069000 4.136000 
1 1 1   55   14   23 o   13.390   1.9860 -3.548000 3.972000 
1 1 1   55   15    0 o   14.000   2.6250 -0.000000 0.000000 
1 1 1   55   15    1 o   11.090   2.1410 3.286000 4.282000 
1 1 1   55   15    2 o   10.580   2.2540 3.445000 4.507000 
1 1 1   55   15    3 o   12.630   2.1910 -3.947000 4.382000 
1 1 1   55   15    4 o   8.0350   2.2300 -3.529000 4.460000 
1 1 1   55   15    5 o   26.720   1.0960 -1.083000 2.193000 
1 1 1   55   15    6 o   34.270   0.9184 -4.044000 1.837000 
1 1 1   55   15    7 o   25.100   1.1800 -0.1942000 2.360000 
1 1 1   55   15    8 o   14.870   2.0070 3.241000 4.014000 
1 1 1   55   15    9 f   8.7990   2.2730 -4.311000 4.545000 
1 1 1   55   15   10 o   10.350   2.4100 0.1047000E-01 4.820000 
1 1 1   55   15   11 o   7.1540   2.1760 0.6759000 4.351000 
1 1 1   55   15   12 o   8.7620   2.3510 -2.810000 4.701000 
1 1 1   55   15   13 o   12.950   2.2740 0.9053000 4.547000 
1 1 1   55   15   14 o   11.580   2.2190 -6.696000 4.438000 
1 1 1   55   15   15 o   9.7930   2.4040 -1.053000 4.809000 
1 1 1   55   15   16 o   10.240   2.3750 0.6387000 4.749000 
1 1 1   55   15   17 o   7.1600   2.1310 -3.604000 4.261000 
1 1 1   55   15   18 o   14.910   1.9740 -3.189000 3.949000 
1 1 1   55   15   19 o   8.9700   2.3260 -1.239000 4.651000 
1 1 1   55   15   20 o   7.0300   2.1110 -0.6401000 4.222000 
1 1 1   55   15   21 o   6.8420   2.0640 -2.596000 4.129000 
1 1 1   55   15   22 o   12.450   2.1530 -2.812000 4.306000 
1 1 1   55   16    0 o   48.080   1.0360 -0.000000 0.000000 
1 1 1   55   16    1 o   28.980   0.9916 3.413000 1.983000 
1 1 1   55   16    2 o   12.930   2.0970 -2.222000 4.194000 
1 1 1   55   16    3 o   11.290   2.1920 4.203000 4.383000 
1 1 1   55   16    4 o   13.000   2.0020 7.742000 4.005000 
1 1 1   55   16    5 o   24.520   1.1150 0.8688000 2.230000 
1 1 1   55   16    6 o   7.2540   2.1280 -2.136000 4.256000 
1 1 1   55   16    7 o   26.200   1.0720 1.863000 2.143000 
1 1 1   55   16    8 o   21.600   1.3910 -2.510000 2.783000 
1 1 1   55   16    9 o   8.5010   2.3490 -1.566000 4.697000 
1 1 1   55   16   10 o   17.540   1.8460 4.884000 3.693000 
1 1 1   55   16   11 o   17.410   1.7890 0.8237000 3.578000 
1 1 1   55   16   12 o   17.000   1.7920 0.3295000 3.583000 
1 1 1   55   16   13 o   14.030   2.1240 -0.3126000 4.249000 
1 1 1   55   16   14 o   8.8730   2.3970 0.5482000 4.793000 
1 1 1   55   16   15 o   9.1960   2.3540 2.525000 4.707000 
1 1 1   55   16   16 o   7.0720   2.1580 -1.771000 4.315000 
1 1 1   55   16   17 o   12.350   2.1590 -5.292000 4.317000 
1 1 1   55   16   18 o   7.9890   2.2380 -1.372000 4.476000 
1 1 1   55   16   19 o   7.4300   2.1670 0.9789000 4.335000 
1 1 1   55   16   20 o   8.5030   2.2540 -2.034000 4.509000 
1 1 1   55   17    0 o   7.3080   3.0950 -0.000000 0.000000 
1 1 1   55   17    1 o   31.260   0.9554 -1.663000 1.911000 
1 1 1   55   17    2 o   14.920   1.9610 1.056000 3.923000 
1 1 1   55   17    3 o   13.690   2.0750 -1.914000 4.151000 
1 1 1   55   17    4 o   17.500   1.6320 -2.870000 3.264000 
1 1 1   55   17    5 o   7.4960   2.1950 -1.538000 4.390000 
1 1 1   55   17    6 o   13.440   2.1230 -1.263000 4.246000 
1 1 1   55   17    7 f   16.000   1.7770 -1.031000 3.554000 
1 1 1   55   17    8 f   13.410   2.0730 2.561000 4.146000 
1 1 1   55   17    9 o   22.470   1.2470 3.358000 2.495000 
1 1 1   55   17   10 o   12.310   2.2080 -2.202000 4.415000 
1 1 1   55   17   11 o   10.410   2.2760 4.205000 4.551000 
1 1 1   55   17   12 o   9.9050   2.2800 -2.917000 4.560000 
1 1 1   55   17   13 o   10.250   2.3320 -0.1128000 4.663000 
1 1 1   55   17   14 o   9.5310   2.2930 2.127000 4.586000 
1 1 1   55   17   15 o   7.4000   2.0670 4.361000 4.134000 
1 1 1   55   17   16 o   4.8500   1.6650 0.6514000 3.330000 
1 1 1   55   17   17 o   10.680   2.1510 -2.854000 4.302000 
1 1 1   55   17   18 f   8.1130   2.1620 0.4337000 4.325000 
1 1 1   55   18    0 o   6.8520   3.0060 -0.000000 0.000000 
1 1 1   55   18    1 o   9.8170   2.3690 1.169000 4.737000 
1 1 1   55   18    2 o   8.0750   2.2340 2.635000 4.468000 
1 1 1   55   18    3 o   9.9290   2.3460 2.237000 4.692000 
1 1 1   55   18    4 o   7.6150   2.1970 2.190000 4.394000 
1 1 1   55   18    5 o   7.4000   2.1870 0.8339000 4.374000 
1 1 1   55   18    6 o   8.8280   2.1720 4.938000 4.344000 
1 1 1   55   18    7 o   7.2630   2.1670 -2.143000 4.334000 
1 1 1   55   18    8 o   16.380   1.7590 -0.5275000 3.518000 
1 1 1   55   18    9 o   6.4580   2.0420 0.9930000 4.085000 
1 1 1   55   18   10 o   17.170   1.6380 0.7003000 3.276000 
1 1 1   55   18   11 o   15.850   1.7950 0.6966000 3.591000 
1 1 1   55   18   12 o   11.230   2.2580 3.353000 4.516000 
1 1 1   55   18   13 o   10.360   2.2340 4.119000 4.467000 
1 1 1   55   18   14 o   10.480   2.2120 -3.232000 4.424000 
1 1 1   55   18   15 o   9.2540   2.2160 -2.478000 4.432000 
1 1 1   55   18   16 o   11.760   2.1130 -0.4156000E-01 4.227000 
1 1 1   55   19    0 o   16.200   2.6230 -0.000000 0.000000 
1 1 1   55   19    1 o   7.4450   2.2290 -0.2112000 4.458000 
1 1 1   55   19    2 o   8.2610   2.2990 0.1112000 4.598000 
1 1 1   55   19    3 o   6.3700   2.0380 -1.243000 4.076000 
1 1 1   55   19    4 f   6.9460   2.0790 3.182000 4.159000 
1 1 1   55   19    5 o   8.6040   2.2710 -2.976000 4.541000 
1 1 1   55   19    6 o   9.1160   2.1980 4.516000 4.396000 
1 1 1   55   19    7 o   9.6360   2.2440 -4.139000 4.487000 
1 1 1   55   19    8 o   9.8220   2.3140 1.924000 4.627000 
1 1 1   55   19    9 o   18.040   1.5350 2.051000 3.071000 
1 1 1   55   19   10 o   7.4750   2.1650 -1.561000 4.330000 
1 1 1   55   19   11 o   8.6080   2.1860 -3.776000 4.371000 
1 1 1   55   19   12 o   7.1860   2.1480 -0.9045000 4.296000 
1 1 1   55   19   13 o   6.2290   1.9470 3.238000 3.895000 
1 1 1   55   19   14 o   6.9430   2.0890 1.496000 4.179000 
1 1 1   55   20    0 o   8.2730   3.2450 -0.000000 0.000000 
1 1 1   55   20    1 o   17.770   1.6250 0.8492000 3.249000 
1 1 1   55   20    2 o   5.9600   1.9510 0.3552000 3.903000 
1 1 1   55   20    3 o   7.6270   2.2290 -1.384000 4.459000 
1 1 1   55   20    4 o   11.750   2.1640 -5.397000 4.328000 
1 1 1   55   20    5 o   7.9250   2.2320 -2.240000 4.464000 
1 1 1   55   20    6 o   6.2270   1.9950 0.8185000 3.989000 
1 1 1   55   20    7 o   12.800   2.0480 -5.935000 4.096000 
1 1 1   55   20    8 f   5.8560   1.9060 1.176000 3.813000 
1 1 1   55   20    9 o   7.0500   2.1110 0.6220000 4.222000 
1 1 1   55   20   10 o   8.3330   2.2500 0.8863000 4.500000 
1 1 1   55   20   11 o   8.4410   2.2960 -0.8508000 4.593000 
1 1 1   55   21    0 o   22.680   1.7610 -0.000000 0.000000 
1 1 1   55   21    1 o   10.090   2.2260 -4.456000 4.453000 
1 1 1   55   21    2 f   6.7600   2.0840 0.5670000 4.167000 
1 1 1   55   21    3 o   9.5220   2.2830 -2.240000 4.567000 
1 1 1   55   21    4 o   9.0600   2.2340 3.044000 4.469000 
1 1 1   55   21    5 o   7.5870   2.1540 2.173000 4.308000 
1 1 1   55   21    6 o   10.560   2.1610 5.677000 4.322000 
1 1 1   56    0    0 o   56.330   1.3470 -0.000000 0.000000 
1 1 1   56    0    1 o   62.390   1.0190 -0.000000 0.000000 
1 1 1   56    0    2 o   32.420   0.8878 -0.000000 0.000000 
1 1 1   56    0    3 o   23.710   1.0130 -0.000000 0.000000 
1 1 1   56    0    4 o   11.160   2.0890 -0.000000 0.000000 
1 1 1   56    0    5 o   7.9240   2.4820 -0.000000 0.000000 
1 1 1   56    0    6 o   34.420   0.8809 -0.000000 0.000000 
1 1 1   56    0    7 o   7.9560   2.5580 -0.000000 0.000000 
1 1 1   56    0    8 o   65.000   1.0550 -0.000000 0.000000 
1 1 1   56    0    9 o   20.470   1.1610 -0.000000 0.000000 
1 1 1   56    0   10 o   8.8810   2.5380 -0.000000 0.000000 
1 1 1   56    0   11 o   6.0660   2.4720 -0.000000 0.000000 
1 1 1   56    0   12 o   8.9680   2.5020 -0.000000 0.000000 
1 1 1   56    0   13 o   36.840   0.9319 -0.000000 0.000000 
1 1 1   56    0   14 o   64.400   1.0610 -0.000000 0.000000 
1 1 1   56    0   15 o   18.930   1.4440 -0.000000 0.000000 
1 1 1   56    0   16 o   22.420   1.2330 -0.000000 0.000000 
1 1 1   56    0   17 o   4.7430   2.2220 -0.000000 0.000000 
1 1 1   56    0   18 o   21.520   1.3210 -0.000000 0.000000 
1 1 1   56    0   19 o   11.850   2.4080 -0.000000 0.000000 
1 1 1   56    0   20 o   23.460   1.3020 -0.000000 0.000000 
1 1 1   56    0   21 o   22.640   1.3770 -0.000000 0.000000 
1 1 1   56    0   22 o   7.5260   2.8370 -0.000000 0.000000 
1 1 1   56    0   23 o   26.560   1.2730 -0.000000 0.000000 
1 1 1   56    0   24 o   23.600   1.3640 -0.000000 0.000000 
1 1 1   56    0   25 o   6.3070   2.6680 -0.000000 0.000000 
1 1 1   56    0   26 o   8.1250   2.8680 -0.000000 0.000000 
1 1 1   56    0   27 o   9.2930   2.8190 -0.000000 0.000000 
1 1 1   56    0   28 o   7.9350   2.8450 -0.000000 0.000000 
1 1 1   56    0   29 o   14.660   1.8320 -0.000000 0.000000 
1 1 1   56    0   30 o   5.5930   2.4320 -0.000000 0.000000 
1 1 1   56    1    0 o   7.9580   2.0950 -0.000000 0.000000 
1 1 1   56    1    1 o   19.060   0.6651 -3.374000 1.330000 
1 1 1   56    1    2 o   60.790   0.5712 1.319000 1.142000 
1 1 1   56    1    3 o   60.370   0.5673 1.872000 1.135000 
1 1 1   56    1    4 o   13.960   0.8950 -3.055000 1.790000 
1 1 1   56    1    5 o   57.200   0.5510 -0.6960000 1.102000 
1 1 1   56    1    6 o   42.510   0.4874 0.7326000 0.9748000 
1 1 1   56    1    7 o   57.220   0.5538 4.638000 1.108000 
1 1 1   56    1    8 o   43.780   0.4953 1.666000 0.9906000 
1 1 1   56    1    9 o   55.000   0.5394 0.4973000 1.079000 
1 1 1   56    1   10 f   9.1400   1.4090 1.336000 2.817000 
1 1 1   56    1   11 o   19.640   0.7629 -1.990000 1.526000 
1 1 1   56    1   12 f   16.850   0.9285 1.967000 1.857000 
1 1 1   56    1   13 o   43.640   0.5731 -3.389000 1.146000 
1 1 1   56    1   14 o   40.300   0.5710 -4.330000 1.142000 
1 1 1   56    1   15 o   11.320   1.5150 2.965000 3.030000 
1 1 1   56    1   16 o   50.500   0.6089 -1.830000 1.218000 
1 1 1   56    1   17 o   30.980   0.6237 -2.306000 1.247000 
1 1 1   56    1   18 o   33.460   0.6992 3.017000 1.398000 
1 1 1   56    1   19 o   24.860   1.2330      ?      ? 
1 1 1   56    1   20 o   34.930   0.7162 0.8837000 1.432000 
1 1 1   56    1   21 o   22.040   0.9960 -4.981000 1.992000 
1 1 1   56    1   22 o   19.850   1.0920 1.057000 2.185000 
1 1 1   56    1   23 o   23.020   1.0030 -0.4340000 2.006000 
1 1 1   56    1   24 o   22.830   0.9910 -1.065000 1.982000 
1 1 1   56    1   25 o   18.080   1.1980 1.695000 2.397000 
1 1 1   56    1   26 o   10.200   1.9620 -1.795000 3.925000 
1 1 1   56    1   27 o   6.8600   1.9180 -2.178000 3.836000 
1 1 1   56    1   28 o   4.4530   1.5130 0.2023000 3.026000 
1 1 1   56    1   29 o   14.790   1.3430 1.975000 2.686000 
1 1 1   56    1   30 o   5.0960   1.5980 -1.568000 3.196000 
1 1 1   56    2    0 o   32.790   0.8270 -0.000000 0.000000 
1 1 1   56    2    1 o   10.770   1.3950 0.5248000 2.789000 
1 1 1   56    2    2 o   12.610   1.2370 3.895000 2.475000 
1 1 1   56    2    3 o   55.260   0.6570 1.488000 1.314000 
1 1 1   56    2    4 o   43.870   0.5912 1.076000 1.182000 
1 1 1   56    2    5 f   41.550   0.5331 -1.556000 1.066000 
1 1 1   56    2    6 o   74.430   0.7448 2.212000 1.490000 
1 1 1   56    2    7 o   52.650   0.5826 0.2215000 1.165000 
1 1 1   56    2    8 o   56.070   0.6105 -3.664000 1.221000 
1 1 1   56    2    9 o   17.090   0.8152 -1.638000 1.630000 
1 1 1   56    2   10 o   6.4120   1.6420 0.2483000 3.284000 
1 1 1   56    2   11 o   48.390   0.5757 -1.264000 1.151000 
1 1 1   56    2   12 o   19.090   0.7407 -0.1693000 1.481000 
1 1 1   56    2   13 o   38.260   0.5068 0.9868000 1.014000 
1 1 1   56    2   14 o   39.580   0.5081 -1.714000 1.016000 
1 1 1   56    2   15 o   45.930   0.5260 1.371000 1.052000 
1 1 1   56    2   16 f   20.230   0.7750 3.388000 1.550000 
1 1 1   56    2   17 o   8.1250   1.7030 -1.265000 3.406000 
1 1 1   56    2   18 o   29.390   0.6054 1.128000 1.211000 
1 1 1   56    2   19 o   42.390   0.5401 -0.9616000 1.080000 
1 1 1   56    2   20 o   13.770   1.3790 1.493000 2.758000 
1 1 1   56    2   21 o   25.040   0.7817 -0.6199000 1.563000 
1 1 1   56    2   22 o   15.790   1.2280 1.384000 2.457000 
1 1 1   56    2   23 o   14.580   1.3490 1.526000 2.698000 
1 1 1   56    2   24 o   19.230   0.9876 -1.573000 1.975000 
1 1 1   56    2   25 o   9.9000   1.7940 -1.507000 3.589000 
1 1 1   56    2   26 o   10.150   1.9870 -1.007000 3.975000 
1 1 1   56    2   27 o   8.2570   2.0360 1.274000 4.073000 
1 1 1   56    2   28 o   10.850   1.8570 -2.846000 3.715000 
1 1 1   56    2   29 o   6.6610   1.8830 1.111000 3.766000 
1 1 1   56    2   30 o   7.3060   1.8770 -0.7347000 3.755000 
1 1 1   56    3    0 o   10.390   2.1470 -0.000000 0.000000 
1 1 1   56    3    1 o   26.540   0.6406 -2.392000 1.281000 
1 1 1   56    3    2 f   21.890   0.7387 -3.223000 1.477000 
1 1 1   56    3    3 o   32.200   0.5827 0.1440000 1.165000 
1 1 1   56    3    4 o   43.250   0.5972 -4.374000 1.194000 
1 1 1   56    3    5 o   20.100   0.7935 0.9797000 1.587000 
1 1 1   56    3    6 o   13.710   1.1220 -2.881000 2.245000 
1 1 1   56    3    7 o   60.220   0.6975 -3.909000 1.395000 
1 1 1   56    3    8 o   29.780   0.6154 -1.357000 1.231000 
1 1 1   56    3    9 o   12.400   1.2720 -0.7784000E-01 2.545000 
1 1 1   56    3   10 o   20.880   0.7947 3.499000 1.589000 
1 1 1   56    3   11 o   54.530   0.6641 -1.862000 1.328000 
1 1 1   56    3   12 o   19.840   0.8439 -2.789000 1.688000 
1 1 1   56    3   13 o   23.810   0.7609 -0.7781000 1.522000 
1 1 1   56    3   14 o   8.6750   1.7720 -1.860000 3.544000 
1 1 1   56    3   15 o   27.460   0.7182 -0.7959000 1.436000 
1 1 1   56    3   16 o   15.370   1.1730 4.547000 2.346000 
1 1 1   56    3   17 o   11.750   1.4790 -0.4426000 2.958000 
1 1 1   56    3   18 o   54.940   0.6373 1.838000 1.275000 
1 1 1   56    3   19 o   20.240   0.8938 -4.276000 1.788000 
1 1 1   56    3   20 o   4.7970   1.5740 -1.344000 3.149000 
1 1 1   56    3   21 o   19.020   1.0230 0.3156000 2.045000 
1 1 1   56    3   22 o   16.350   1.1870 -0.5828000 2.373000 
1 1 1   56    3   23 o   16.250   1.0910 -3.529000 2.183000 
1 1 1   56    3   24 o   7.6520   1.8520 0.3085000 3.704000 
1 1 1   56    3   25 o   9.6000   1.4560 -9.257000 2.912000 
1 1 1   56    3   26 o   6.6380   1.7790 1.897000 3.558000 
1 1 1   56    3   27 o   7.2510   1.9000 -0.2320000 3.800000 
1 1 1   56    3   28 o   6.8200   1.7970 0.9844000 3.594000 
1 1 1   56    3   29 o   6.6450   1.6160 -6.378000 3.231000 
1 1 1   56    3   30 o   7.4790   1.7460 0.5913000 3.492000 
1 1 1   56    4    0 o   44.620   0.8484 -0.000000 0.000000 
1 1 1   56    4    1 o   59.530   0.6924 0.4185000 1.385000 
1 1 1   56    4    2 o   19.630   0.8121 -1.666000 1.624000 
1 1 1   56    4    3 o   38.100   0.5801 1.592000 1.160000 
1 1 1   56    4    4 o   18.550   0.8438 2.216000 1.688000 
1 1 1   56    4    5 o   26.150   0.6567 -3.061000 1.313000 
1 1 1   56    4    6 o   28.510   0.9073      ?      ? 
1 1 1   56    4    7 f   16.250   0.9732 -1.535000 1.946000 
1 1 1   56    4    8 o   33.020   0.6071 -0.7269000 1.214000 
1 1 1   56    4    9 o   35.360   0.6084 -2.874000 1.217000 
1 1 1   56    4   10 o   84.090   0.9146 1.821000 1.829000 
1 1 1   56    4   11 f   41.210   0.6117 -2.292000 1.223000 
1 1 1   56    4   12 o   18.990   0.8941 0.4815000 1.788000 
1 1 1   56    4   13 o   56.500   0.6917 -2.719000 1.383000 
1 1 1   56    4   14 o   47.600   0.6450 1.845000 1.290000 
1 1 1   56    4   15 o   44.900   0.6414 -1.844000 1.283000 
1 1 1   56    4   16 o   64.840   0.7606 -1.415000 1.521000 
1 1 1   56    4   17 o   7.5800   1.8470 -3.514000 3.694000 
1 1 1   56    4   18 o   7.1190   1.9020 -0.4222000 3.805000 
1 1 1   56    4   19 o   26.980   0.7985 -1.351000 1.597000 
1 1 1   56    4   20 o   27.390   0.8090 -0.6145000E-02 1.618000 
1 1 1   56    4   21 o   19.850   1.1100 -1.450000 2.219000 
1 1 1   56    4   22 f   24.280   0.9388 -2.397000 1.878000 
1 1 1   56    4   23 o   30.110   0.7416 -2.155000 1.483000 
1 1 1   56    4   24 o   16.280   1.2650 -2.185000 2.530000 
1 1 1   56    4   25 o   13.080   1.6210 3.142000 3.243000 
1 1 1   56    4   26 o   13.210   1.5260 -3.546000 3.053000 
1 1 1   56    4   27 o   10.840   1.7650 -4.988000 3.530000 
1 1 1   56    4   28 o   8.9980   1.8100 2.319000 3.620000 
1 1 1   56    4   29 o   5.0640   1.6030 0.4037000 3.206000 
1 1 1   56    4   30 o   7.1580   1.7120 -2.682000 3.424000 
1 1 1   56    5    0 o   13.390   1.7440 -0.000000 0.000000 
1 1 1   56    5    1 o   23.370   0.7319 -0.8517000 1.464000 
1 1 1   56    5    2 o   34.850   0.6028 -0.4075000 1.206000 
1 1 1   56    5    3 o   18.590   0.8660 -0.7009000 1.732000 
1 1 1   56    5    4 o   59.300   0.6974 0.9378000 1.395000 
1 1 1   56    5    5 o   27.570   0.6718 1.863000 1.344000 
1 1 1   56    5    6 o   10.680   1.5140 -1.739000 3.028000 
1 1 1   56    5    7 o   24.350   0.7189 -2.326000 1.438000 
1 1 1   56    5    8 o   28.800   0.6692 -0.4313000 1.338000 
1 1 1   56    5    9 o   46.770   0.6274 2.089000 1.255000 
1 1 1   56    5   10 o   58.040   0.6975 -1.650000 1.395000 
1 1 1   56    5   11 o   24.250   0.7551 2.888000 1.510000 
1 1 1   56    5   12 o   32.420   0.6661 1.703000 1.332000 
1 1 1   56    5   13 f   57.030   0.6990 0.5943000 1.398000 
1 1 1   56    5   14 o   53.030   0.6825 0.4413000 1.365000 
1 1 1   56    5   15 o   41.970   0.6552 -0.3933000 1.310000 
1 1 1   56    5   16 f   38.600   0.6619 -3.695000 1.324000 
1 1 1   56    5   17 o   7.6650   1.9270 1.075000 3.855000 
1 1 1   56    5   18 o   29.460   0.7638 -3.907000 1.528000 
1 1 1   56    5   19 o   19.460   1.4760      ?      ? 
1 1 1   56    5   20 o   26.010   0.8882 -4.015000 1.776000 
1 1 1   56    5   21 o   13.680   1.6660 3.058000 3.332000 
1 1 1   56    5   22 o   7.4780   2.0500 0.3906000E-01 4.100000 
1 1 1   56    5   23 o   32.940   0.7993 -3.935000 1.599000 
1 1 1   56    5   24 o   8.4360   2.1130 -2.228000 4.225000 
1 1 1   56    5   25 o   19.110   1.2470 2.188000 2.493000 
1 1 1   56    5   26 o   10.030   2.0030 1.178000 4.007000 
1 1 1   56    5   27 o   11.680   1.8160 -2.931000 3.632000 
1 1 1   56    5   28 o   13.080   1.6000 4.005000 3.200000 
1 1 1   56    5   29 o   5.1090   1.6340 -1.749000 3.267000 
1 1 1   56    6    0 o   32.590   0.8752 -0.000000 0.000000 
1 1 1   56    6    1 o   65.840   0.7533 -2.067000 1.507000 
1 1 1   56    6    2 o   56.570   0.6853 -4.095000 1.371000 
1 1 1   56    6    3 o   31.390   0.6468 0.7579000 1.294000 
1 1 1   56    6    4 o   25.890   0.7214 -1.481000 1.443000 
1 1 1   56    6    5 o   7.9250   1.7780 1.156000 3.555000 
1 1 1   56    6    6 o   25.720   0.7190 -0.3344000 1.438000 
1 1 1   56    6    7 o   32.880   0.6318 -1.252000 1.264000 
1 1 1   56    6    8 o   12.110   1.4810 -1.572000 2.962000 
1 1 1   56    6    9 o   28.270   0.6869 -3.262000 1.374000 
1 1 1   56    6   10 o   34.160   0.6528 3.711000 1.306000 
1 1 1   56    6   11 o   47.330   0.6580 -1.693000 1.316000 
1 1 1   56    6   12 o   67.090   0.7762 0.4713000E-01 1.552000 
1 1 1   56    6   13 o   15.750   1.2050 0.7063000 2.409000 
1 1 1   56    6   14 o   40.580   0.6746 -2.968000 1.349000 
1 1 1   56    6   15 o   29.630   0.7556 -1.166000 1.511000 
1 1 1   56    6   16 o   18.720   1.1260 2.532000 2.253000 
1 1 1   56    6   17 o   8.7760   1.9820 2.519000 3.964000 
1 1 1   56    6   18 o   13.170   1.6800 1.251000 3.360000 
1 1 1   56    6   19 o   32.910   0.7740 0.7268000E-01 1.548000 
1 1 1   56    6   20 o   7.3990   1.9800 -3.408000 3.960000 
1 1 1   56    6   21 o   18.720   1.2590 1.387000 2.519000 
1 1 1   56    6   22 o   23.950   1.0180 0.8810000 2.037000 
1 1 1   56    6   23 o   7.9390   1.9860 4.207000 3.972000 
1 1 1   56    6   24 o   9.9850   2.1690 -0.3074000 4.337000 
1 1 1   56    6   25 o   11.020   1.9450 5.030000 3.891000 
1 1 1   56    6   26 o   8.6180   2.0950 -1.289000 4.189000 
1 1 1   56    6   27 o   6.3810   1.8740 -0.4120000 3.747000 
1 1 1   56    6   28 o   8.5950   1.8390 3.188000 3.677000 
1 1 1   56    6   29 o   6.8620   1.8980 -1.565000 3.795000 
1 1 1   56    7    0 o   12.590   1.9410 -0.000000 0.000000 
1 1 1   56    7    1 o   46.660   0.6417 -1.108000 1.283000 
1 1 1   56    7    2 f   40.850   0.6318 -1.900000 1.264000 
1 1 1   56    7    3 o   5.8670   1.7220 0.1508000 3.445000 
1 1 1   56    7    4 o   34.570   0.6576 -1.638000 1.315000 
1 1 1   56    7    5 o   64.200   0.7473 2.017000 1.495000 
1 1 1   56    7    6 o   49.700   0.6596 0.9520000 1.319000 
1 1 1   56    7    7 o   17.630   1.0500 -5.840000 2.099000 
1 1 1   56    7    8 o   36.600   0.6566 -0.2196000 1.313000 
1 1 1   56    7    9 o   40.600   0.6368 -0.1450000 1.274000 
1 1 1   56    7   10 o   51.310   0.6754 0.8311000 1.351000 
1 1 1   56    7   11 o   23.010   0.8810 1.186000 1.762000 
1 1 1   56    7   12 o   25.410   0.8343 -1.654000 1.669000 
1 1 1   56    7   13 o   36.050   0.7067 -1.518000 1.413000 
1 1 1   56    7   14 o   22.600   0.9568 2.846000 1.914000 
1 1 1   56    7   15 o   42.090   0.7030 4.180000 1.406000 
1 1 1   56    7   16 o   7.9530   2.0380 -1.394000 4.075000 
1 1 1   56    7   17 o   31.710   0.7939 1.922000 1.588000 
1 1 1   56    7   18 o   22.900   1.0320 1.809000 2.064000 
1 1 1   56    7   19 o   22.110   1.0830 1.353000 2.166000 
1 1 1   56    7   20 o   10.480   2.1160 2.234000 4.233000 
1 1 1   56    7   21 o   7.5290   2.0830 2.532000 4.166000 
1 1 1   56    7   22 o   18.060   1.3960 3.581000 2.793000 
1 1 1   56    7   23 o   8.5150   2.1750 -0.1264000 4.350000 
1 1 1   56    7   24 o   12.930   1.9100 -3.371000 3.821000 
1 1 1   56    7   25 o   9.6540   2.1060 -0.7078000 4.213000 
1 1 1   56    7   26 o   6.6470   1.9160 1.104000 3.831000 
1 1 1   56    7   27 o   15.450   1.3840 -2.762000 2.768000 
1 1 1   56    7   28 f   9.6320   1.9080 -4.883000 3.817000 
1 1 1   56    7   29 o   13.690   1.8080 -2.081000 3.615000 
1 1 1   56    8    0 f   4.3740   2.0890 -0.000000 0.000000 
1 1 1   56    8    1 o   35.800   0.6679 1.544000 1.336000 
1 1 1   56    8    2 o   14.300   1.3060 -3.152000 2.613000 
1 1 1   56    8    3 o   65.470   0.7651 -0.9356000 1.530000 
1 1 1   56    8    4 o   39.370   0.6490 3.426000 1.298000 
1 1 1   56    8    5 o   29.570   0.7237 -0.8589000 1.447000 
1 1 1   56    8    6 o   24.950   0.7998 -1.575000 1.600000 
1 1 1   56    8    7 o   40.350   0.6671 2.437000 1.334000 
1 1 1   56    8    8 o   10.080   1.7850 -4.502000 3.570000 
1 1 1   56    8    9 o   20.630   0.9611 2.392000 1.922000 
1 1 1   56    8   10 o   40.140   0.6735 -0.2325000 1.347000 
1 1 1   56    8   11 o   13.910   1.4780 1.688000 2.955000 
1 1 1   56    8   12 o   16.910   1.2300 -1.422000 2.460000 
1 1 1   56    8   13 o   18.240   1.1990 -4.043000 2.399000 
1 1 1   56    8   14 o   31.670   0.7683 -0.6128000E-01 1.537000 
1 1 1   56    8   15 o   28.870   0.8520 -0.8262000 1.704000 
1 1 1   56    8   16 o   18.090   1.3250 -0.7959000 2.649000 
1 1 1   56    8   17 o   19.720   1.7340      ?      ? 
1 1 1   56    8   18 o   15.570   1.5970 1.820000 3.194000 
1 1 1   56    8   19 o   10.350   2.1450 2.432000 4.289000 
1 1 1   56    8   20 o   9.7310   1.8870 -7.755000 3.775000 
1 1 1   56    8   21 o   8.5690   2.2350 1.154000 4.471000 
1 1 1   56    8   22 o   8.2890   2.1130 -3.163000 4.226000 
1 1 1   56    8   23 o   14.490   1.6570 0.7826000 3.315000 
1 1 1   56    8   24 o   17.240   1.4220 0.3824000 2.844000 
1 1 1   56    8   25 o   10.160   2.1290 -1.928000 4.258000 
1 1 1   56    8   26 o   8.2200   2.1030 -1.538000 4.207000 
1 1 1   56    8   27 o   9.5710   2.0690 -1.428000 4.139000 
1 1 1   56    8   28 o   10.150   2.0240 -1.916000 4.047000 
1 1 1   56    9    0 o   10.470   2.5450 -0.000000 0.000000 
1 1 1   56    9    1 o   57.810   0.7233 -0.9518000 1.447000 
1 1 1   56    9    2 o   52.700   0.7022 0.5040000 1.404000 
1 1 1   56    9    3 o   31.850   0.7146 -0.9222000 1.429000 
1 1 1   56    9    4 o   43.290   0.6792 -2.512000 1.358000 
1 1 1   56    9    5 o   56.180   0.7248 -0.2799000 1.450000 
1 1 1   56    9    6 o   11.700   1.7480 0.8931000 3.496000 
1 1 1   56    9    7 o   38.210   0.6911 -1.109000 1.382000 
1 1 1   56    9    8 o   20.860   1.0340 2.389000 2.067000 
1 1 1   56    9    9 o   23.130   0.9477 -1.253000 1.895000 
1 1 1   56    9   10 o   12.620   1.7270 -1.229000 3.455000 
1 1 1   56    9   11 o   5.4090   1.7290 -1.917000 3.459000 
1 1 1   56    9   12 o   21.600   1.0920 -4.906000 2.185000 
1 1 1   56    9   13 o   17.200   1.4050 4.717000 2.810000 
1 1 1   56    9   14 o   45.450   0.7411 0.3546000 1.482000 
1 1 1   56    9   15 o   13.190   1.8350 9.374000 3.669000 
1 1 1   56    9   16 o   29.490   0.9306 0.1640000 1.861000 
1 1 1   56    9   17 o   16.550   1.5570 2.071000 3.115000 
1 1 1   56    9   18 f   23.010   1.1750 4.153000 2.349000 
1 1 1   56    9   19 o   7.2160   2.0670 2.513000 4.134000 
1 1 1   56    9   20 o   17.750   1.4060 -2.550000 2.812000 
1 1 1   56    9   21 o   7.8300   2.1300 -2.544000 4.260000 
1 1 1   56    9   22 o   6.8500   2.8560      ?      ? 
1 1 1   56    9   23 o   12.990   1.9100 -4.441000 3.821000 
1 1 1   56    9   24 f   11.510   2.0830 -2.561000 4.165000 
1 1 1   56    9   25 o   6.4350   1.9350 1.898000 3.870000 
1 1 1   56    9   26 o   13.040   1.8000 -2.813000 3.600000 
1 1 1   56    9   27 o   6.3610   1.9430 -1.939000 3.885000 
1 1 1   56   10    0 o   4.5040   2.1740 -0.000000 0.000000 
1 1 1   56   10    1 o   24.710   0.8846 1.571000 1.769000 
1 1 1   56   10    2 o   29.380   0.7880 -4.368000 1.576000 
1 1 1   56   10    3 o   37.110   0.7125 0.7834000 1.425000 
1 1 1   56   10    4 o   48.030   0.7113 -2.074000 1.423000 
1 1 1   56   10    5 o   34.720   0.7457 -1.848000 1.491000 
1 1 1   56   10    6 o   50.540   0.7151 -0.6364000 1.430000 
1 1 1   56   10    7 o   12.980   1.7540 -1.742000 3.507000 
1 1 1   56   10    8 o   14.760   1.6240 5.296000 3.247000 
1 1 1   56   10    9 o   32.350   0.7950 0.7766000 1.590000 
1 1 1   56   10   10 o   20.660   1.1570 1.702000 2.314000 
1 1 1   56   10   11 o   32.840   0.7956 -0.1889000 1.591000 
1 1 1   56   10   12 o   29.160   0.8927 3.352000 1.785000 
1 1 1   56   10   13 o   39.220   0.7774 1.567000 1.555000 
1 1 1   56   10   14 o   17.390   1.4770 1.166000 2.953000 
1 1 1   56   10   15 o   10.780   2.2070 -1.049000 4.415000 
1 1 1   56   10   16 o   12.410   1.9740 -6.072000 3.948000 
1 1 1   56   10   17 o   20.020   1.3760 -1.068000 2.752000 
1 1 1   56   10   18 o   18.870   1.3380 -1.390000 2.676000 
1 1 1   56   10   19 o   7.0270   1.9520 -5.463000 3.905000 
1 1 1   56   10   20 o   14.610   1.7700 -2.624000 3.539000 
1 1 1   56   10   21 o   9.8830   2.2280 -0.6451000E-01 4.455000 
1 1 1   56   10   22 o   16.060   1.6760 5.135000 3.351000 
1 1 1   56   10   23 o   16.100   1.8650 1.869000 3.729000 
1 1 1   56   10   24 o   12.600   1.9720 4.481000 3.943000 
1 1 1   56   10   25 o   7.2810   2.0790 -1.678000 4.158000 
1 1 1   56   10   26 o   6.0670   1.8790 -3.282000 3.758000 
1 1 1   56   10   27 o   8.8000   2.1120 -4.510000 4.225000 
1 1 1   56   11    0 o   10.800   2.8580 -0.000000 0.000000 
1 1 1   56   11    1 o   12.120   1.8140 1.732000 3.628000 
1 1 1   56   11    2 o   33.530   0.7810 -1.956000 1.562000 
1 1 1   56   11    3 o   8.4150   2.1060 0.5207000 4.212000 
1 1 1   56   11    4 o   68.390   0.8220 4.026000 1.644000 
1 1 1   56   11    5 o   31.580   0.8234 3.405000 1.647000 
1 1 1   56   11    6 o   20.490   1.2010 -3.833000 2.402000 
1 1 1   56   11    7 o   24.590   1.0210 1.688000 2.041000 
1 1 1   56   11    8 o   11.570   1.9420 -6.650000 3.885000 
1 1 1   56   11    9 o   27.520   0.9555 -2.583000 1.911000 
1 1 1   56   11   10 o   26.010   1.0020 -0.3370000E-01 2.005000 
1 1 1   56   11   11 o   20.110   1.3310 0.4470000 2.662000 
1 1 1   56   11   12 o   27.730   0.9991 1.636000 1.998000 
1 1 1   56   11   13 o   15.100   1.8820 -7.872000 3.764000 
1 1 1   56   11   14 o   10.330   2.1710 -5.305000 4.342000 
1 1 1   56   11   15 o   19.420   1.3410 -1.006000 2.682000 
1 1 1   56   11   16 o   13.980   1.8780 -1.633000 3.756000 
1 1 1   56   11   17 o   10.100   2.2630 1.694000 4.526000 
1 1 1   56   11   18 o   9.0770   2.0470 -6.685000 4.094000 
1 1 1   56   11   19 f   19.430   1.3760 -3.140000 2.751000 
1 1 1   56   11   20 o   7.5670   2.1690 -2.140000 4.338000 
1 1 1   56   11   21 o   14.100   1.8760 -1.373000 3.752000 
1 1 1   56   11   22 o   10.590   2.0590 -6.086000 4.119000 
1 1 1   56   11   23 o   10.730   2.1680 1.776000 4.336000 
1 1 1   56   11   24 o   6.2150   1.9310 0.4649000 3.862000 
1 1 1   56   11   25 o   7.3790   1.8140 6.198000 3.627000 
1 1 1   56   11   26 o   5.8340   1.8630 0.4413000 3.725000 
1 1 1   56   12    0 f   30.110   1.2840 -0.000000 0.000000 
1 1 1   56   12    1 o   29.950   0.8680 2.871000 1.736000 
1 1 1   56   12    2 o   21.230   1.1800 -3.223000 2.361000 
1 1 1   56   12    3 o   43.830   0.7627 -0.9758000 1.525000 
1 1 1   56   12    4 o   16.230   1.5640 -0.4842000 3.127000 
1 1 1   56   12    5 o   9.2280   2.1120 -3.945000 4.225000 
1 1 1   56   12    6 o   26.190   1.0150 -1.286000 2.029000 
1 1 1   56   12    7 o   20.110   1.3040 -1.035000 2.608000 
1 1 1   56   12    8 o   9.2660   2.2120 -3.118000 4.424000 
1 1 1   56   12    9 o   9.8130   2.2720 0.2156000 4.543000 
1 1 1   56   12   10 o   17.850   1.6090 -6.192000 3.219000 
1 1 1   56   12   11 o   8.0760   2.2270 1.781000 4.453000 
1 1 1   56   12   12 o   30.200   0.9287 3.045000 1.857000 
1 1 1   56   12   13 o   36.620   0.8287 1.714000 1.657000 
1 1 1   56   12   14 o   8.6630   2.2190 -3.721000 4.438000 
1 1 1   56   12   15 o   18.920   1.4550 -1.735000 2.909000 
1 1 1   56   12   16 o   10.340   2.2830 -1.371000 4.566000 
1 1 1   56   12   17 o   9.2020   2.3060 0.5881000 4.613000 
1 1 1   56   12   18 o   16.590   1.6910 -2.682000 3.382000 
1 1 1   56   12   19 o   9.2600   2.3040 -0.8861000 4.609000 
1 1 1   56   12   20 o   12.870   2.0400 2.930000 4.081000 
1 1 1   56   12   21 o   7.4740   2.1570 -1.681000 4.314000 
1 1 1   56   12   22 o   9.1460   2.2390 -2.716000 4.478000 
1 1 1   56   12   23 o   8.9190   2.0740 4.108000 4.148000 
1 1 1   56   12   24 o   12.350   1.9190 7.024000 3.837000 
1 1 1   56   12   25 o   10.070   2.0260 -6.342000 4.052000 
1 1 1   56   13    0 o   44.180   1.1290 -0.000000 0.000000 
1 1 1   56   13    1 o   39.160   0.8051 0.5769000 1.610000 
1 1 1   56   13    2 o   26.290   1.0590 0.1194000 2.119000 
1 1 1   56   13    3 o   18.850   1.4360 0.1497000 2.872000 
1 1 1   56   13    4 o   10.650   2.2890 -1.665000 4.577000 
1 1 1   56   13    5 o   19.100   1.4480 1.198000 2.896000 
1 1 1   56   13    6 o   12.140   2.2410 -1.766000 4.481000 
1 1 1   56   13    7 o   22.560   1.8280      ?      ? 
1 1 1   56   13    8 o   19.870   1.3030 -2.508000 2.607000 
1 1 1   56   13    9 o   9.5620   2.2520 -1.370000 4.503000 
1 1 1   56   13   10 o   10.170   2.2830 -1.171000 4.565000 
1 1 1   56   13   11 o   14.130   1.9190 2.098000 3.838000 
1 1 1   56   13   12 o   29.740   0.9649 0.2956000 1.930000 
1 1 1   56   13   13 o   24.380   1.1630 2.194000 2.327000 
1 1 1   56   13   14 o   17.540   1.6410 -3.469000 3.281000 
1 1 1   56   13   15 o   9.1840   2.2620 3.231000 4.523000 
1 1 1   56   13   16 o   30.790   0.9831 -1.493000 1.966000 
1 1 1   56   13   17 o   14.470   1.9790 -5.238000 3.958000 
1 1 1   56   13   18 o   8.0130   2.2440 0.1264000 4.488000 
1 1 1   56   13   19 o   6.8100   2.0850 1.071000 4.170000 
1 1 1   56   13   20 o   11.590   2.2450 -1.350000 4.489000 
1 1 1   56   13   21 o   8.7220   2.2740 -1.703000 4.548000 
1 1 1   56   13   22 o   13.090   2.0890 1.686000 4.178000 
1 1 1   56   13   23 o   9.6570   2.2360 -2.966000 4.472000 
1 1 1   56   13   24 o   11.530   2.1430 2.113000 4.286000 
1 1 1   56   14    0 f   6.2480   2.8430 -0.000000 0.000000 
1 1 1   56   14    1 f   21.800   1.3300 0.4585000 2.659000 
1 1 1   56   14    2 o   13.040   2.1820 2.594000 4.365000 
1 1 1   56   14    3 o   23.630   1.8090      ?      ? 
1 1 1   56   14    4 o   16.710   1.8480 -5.622000 3.696000 
1 1 1   56   14    5 o   10.310   2.2210 -4.086000 4.443000 
1 1 1   56   14    6 o   14.980   1.9020 0.7789000 3.805000 
1 1 1   56   14    7 o   12.020   1.9750 8.034000 3.951000 
1 1 1   56   14    8 o   19.660   1.4310 4.221000 2.862000 
1 1 1   56   14    9 o   18.480   1.5500 -2.224000 3.100000 
1 1 1   56   14   10 f   11.890   2.2050 3.910000 4.410000 
1 1 1   56   14   11 o   13.590   2.1280 -0.8978000E-01 4.256000 
1 1 1   56   14   12 o   11.700   2.3230 -2.908000 4.645000 
1 1 1   56   14   13 o   20.850   1.4140 -1.813000 2.828000 
1 1 1   56   14   14 o   10.750   2.3180 3.620000 4.636000 
1 1 1   56   14   15 o   11.110   2.2320 4.509000 4.465000 
1 1 1   56   14   16 o   10.390   2.3310 -0.2483000 4.663000 
1 1 1   56   14   17 o   18.960   1.6000 5.556000 3.201000 
1 1 1   56   14   18 o   5.9480   1.9490 -1.761000 3.898000 
1 1 1   56   14   19 o   9.8220   2.1010 5.901000 4.202000 
1 1 1   56   14   20 o   11.570   2.1980 3.136000 4.395000 
1 1 1   56   14   21 o   7.9490   2.2070 0.5004000 4.413000 
1 1 1   56   14   22 f   19.940   1.3300 -3.020000 2.659000 
1 1 1   56   14   23 o   7.9450   2.0510 4.174000 4.103000 
1 1 1   56   15    0 f   13.610   2.6760 -0.000000 0.000000 
1 1 1   56   15    1 o   14.530   1.9910 -6.284000 3.983000 
1 1 1   56   15    2 o   11.120   2.2710 2.909000 4.541000 
1 1 1   56   15    3 o   11.210   2.3330 -2.277000 4.667000 
1 1 1   56   15    4 o   28.510   1.0590 -0.5499000E-02 2.118000 
1 1 1   56   15    5 o   7.9310   2.2390 1.443000 4.478000 
1 1 1   56   15    6 o   13.830   2.0250 -9.113000 4.051000 
1 1 1   56   15    7 o   15.050   2.0150 -0.2855000E-01 4.029000 
1 1 1   56   15    8 o   12.430   2.0220 8.666000 4.044000 
1 1 1   56   15    9 o   15.010   1.9880 -2.791000 3.977000 
1 1 1   56   15   10 o   8.0480   2.2790 0.9542000 4.559000 
1 1 1   56   15   11 o   7.6420   2.1900 -3.692000 4.380000 
1 1 1   56   15   12 o   8.3230   2.3390 0.4953000 4.678000 
1 1 1   56   15   13 o   12.760   2.2240 4.664000 4.447000 
1 1 1   56   15   14 o   14.660   2.0240 3.473000 4.048000 
1 1 1   56   15   15 f   9.5690   2.3910 -0.1557000 4.781000 
1 1 1   56   15   16 o   13.980   2.1150 -1.582000 4.230000 
1 1 1   56   15   17 o   7.8030   2.2030 2.293000 4.406000 
1 1 1   56   15   18 o   5.9190   1.9720 0.6988000 3.943000 
1 1 1   56   15   19 o   15.420   1.8160 -1.409000 3.632000 
1 1 1   56   15   20 o   8.8420   2.1970 3.181000 4.393000 
1 1 1   56   15   21 o   8.0380   2.1760 -3.374000 4.351000 
1 1 1   56   16    0 o   22.720   1.7470 -0.000000 0.000000 
1 1 1   56   16    1 o   18.840   1.4930 3.827000 2.987000 
1 1 1   56   16    2 f   12.930   2.1040 3.268000 4.209000 
1 1 1   56   16    3 o   7.4680   2.1890 -0.4296000 4.378000 
1 1 1   56   16    4 o   11.350   2.2560 0.9694000 4.512000 
1 1 1   56   16    5 o   18.280   1.5210 -2.113000 3.042000 
1 1 1   56   16    6 o   32.320   0.9042 -1.064000 1.808000 
1 1 1   56   16    7 o   22.600   1.3540 -0.5206000 2.707000 
1 1 1   56   16    8 f   13.220   2.2610 0.2458000 4.523000 
1 1 1   56   16    9 o   10.200   2.4290 -1.602000 4.857000 
1 1 1   56   16   10 o   15.160   2.0520 2.609000 4.104000 
1 1 1   56   16   11 o   9.8930   2.4180 -1.121000 4.836000 
1 1 1   56   16   12 o   17.240   1.7890 -2.918000 3.577000 
1 1 1   56   16   13 o   7.6580   2.2800 0.2224000 4.560000 
1 1 1   56   16   14 o   7.3640   2.2400 -0.5070000 4.480000 
1 1 1   56   16   15 o   8.2920   2.2730 2.747000 4.547000 
1 1 1   56   16   16 o   7.6630   2.2170 -2.293000 4.433000 
1 1 1   56   16   17 o   9.5590   2.2990 1.690000 4.598000 
1 1 1   56   16   18 f   14.180   1.9690 3.539000 3.938000 
1 1 1   56   16   19 o   13.750   2.0270 1.263000 4.054000 
1 1 1   56   16   20 o   10.940   2.2690 -0.6800000 4.539000 
1 1 1   56   17    0 o   8.7390   3.2910 -0.000000 0.000000 
1 1 1   56   17    1 o   21.490   1.3600 2.185000 2.720000 
1 1 1   56   17    2 o   11.700   2.2680 3.133000 4.537000 
1 1 1   56   17    3 o   14.550   1.9810 -0.6400000 3.961000 
1 1 1   56   17    4 o   17.780   1.6230 -2.672000 3.245000 
1 1 1   56   17    5 o   18.360   1.6080 -5.088000 3.217000 
1 1 1   56   17    6 o   11.910   2.1230 -6.416000 4.247000 
1 1 1   56   17    7 o   18.660   1.5420 1.066000 3.083000 
1 1 1   56   17    8 o   22.850   1.2380 5.399000 2.476000 
1 1 1   56   17    9 o   19.330   1.4210 -0.8480000 2.842000 
1 1 1   56   17   10 o   7.6050   2.1970 2.029000 4.394000 
1 1 1   56   17   11 o   19.800   1.4410 0.4449000 2.882000 
1 1 1   56   17   12 o   7.8560   2.1940 -2.882000 4.388000 
1 1 1   56   17   13 o   6.2320   1.9980 1.168000 3.996000 
1 1 1   56   17   14 o   8.9120   2.2570 -2.373000 4.514000 
1 1 1   56   17   15 o   8.2410   2.2480 0.4027000 4.495000 
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1 1 1   56   17   17 o   6.6540   2.0090 2.385000 4.018000 
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1 1 1   56   19   11 o   8.4670   2.1190 5.278000 4.237000 
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1 1 1   56   21    2 o   10.330   2.2930 -0.7124000 4.585000 
1 1 1   56   21    3 o   7.6810   2.1660 2.135000 4.332000 
1 1 1   56   21    4 o   6.3140   2.0060 0.6940000 4.012000 
1 1 1   56   21    5 o   10.610   2.5800 4.958000 5.160000 
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1 1 1   57    0   16 o   9.7810   2.7270 -0.000000 0.000000 
1 1 1   57    0   17 o   44.900   0.9372 -0.000000 0.000000 
1 1 1   57    0   18 o   45.670   0.9438 -0.000000 0.000000 
1 1 1   57    0   19 o   7.8830   2.8490 -0.000000 0.000000 
1 1 1   57    0   20 o   4.7590   2.2600 -0.000000 0.000000 
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1 1 1   57    0   30 o   14.100   1.8400 -0.000000 0.000000 
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1 1 1   57    1    1 o   41.330   0.4841 2.281000 0.9683000 
1 1 1   57    1    2 o   54.250   0.5329 1.246000 1.066000 
1 1 1   57    1    3 o   59.800   0.5678 3.597000 1.136000 
1 1 1   57    1    4 o   48.890   0.5080 -2.505000 1.016000 
1 1 1   57    1    5 o   16.160   0.7847 0.3212000 1.569000 
1 1 1   57    1    6 o   26.530   0.5367 0.2408000 1.073000 
1 1 1   57    1    7 o   43.990   0.4969 3.588000 0.9937000 
1 1 1   57    1    8 o   32.310   0.5151 8.762000 1.030000 
1 1 1   57    1    9 o   71.720   0.6520 -3.455000 1.304000 
1 1 1   57    1   10 o   63.730   0.5975 4.719000 1.195000 
1 1 1   57    1   11 o   22.540   0.7276 1.274000 1.455000 
1 1 1   57    1   12 o   19.050   0.8469 1.829000 1.694000 
1 1 1   57    1   13 o   22.380   0.7443 1.063000 1.489000 
1 1 1   57    1   14 o   37.900   0.5732 -2.848000 1.146000 
1 1 1   57    1   15 o   34.780   0.6002 -2.326000 1.200000 
1 1 1   57    1   16 o   38.060   0.5935 -0.1008000 1.187000 
1 1 1   57    1   17 o   17.220   1.1970 2.009000 2.395000 
1 1 1   57    1   18 o   44.980   0.6701 1.339000 1.340000 
1 1 1   57    1   19 o   21.150   1.0010 0.9074000 2.003000 
1 1 1   57    1   20 o   32.360   0.7620 -0.5566000 1.524000 
1 1 1   57    1   21 o   30.740   0.7839 0.5738000 1.568000 
1 1 1   57    1   22 o   17.340   1.2670 -0.2586000 2.535000 
1 1 1   57    1   23 o   18.570   1.2230 0.2070000 2.447000 
1 1 1   57    1   24 o   31.040   0.8107 -1.708000 1.621000 
1 1 1   57    1   25 o   11.880   1.8360 -0.4787000 3.673000 
1 1 1   57    1   26 o   12.440   1.7960 -4.871000 3.592000 
1 1 1   57    1   27 o   14.650   1.5340 4.668000 3.068000 
1 1 1   57    1   28 o   11.880   1.7340 0.5926000 3.468000 
1 1 1   57    1   29 o   9.2880   1.7840 4.940000 3.568000 
1 1 1   57    1   30 o   13.960   1.3920 -6.879000 2.784000 
1 1 1   57    2    0 o   46.220   0.8555 -0.000000 0.000000 
1 1 1   57    2    1 o   15.160   1.0050 -2.107000 2.010000 
1 1 1   57    2    2 o   45.350   0.5988 -0.6137000 1.198000 
1 1 1   57    2    3 o   37.460   0.5832 1.428000 1.166000 
1 1 1   57    2    4 o   15.210   0.9129 -0.7471000 1.826000 
1 1 1   57    2    5 o   33.470   0.5476 3.526000 1.095000 
1 1 1   57    2    6 o   44.890   0.5504 1.499000 1.101000 
1 1 1   57    2    7 o   48.240   0.5628 4.252000 1.126000 
1 1 1   57    2    8 o   12.220   1.1580 0.3177000 2.317000 
1 1 1   57    2    9 o   35.360   0.5472 4.290000 1.094000 
1 1 1   57    2   10 o   21.580   0.6429 -0.4586000 1.286000 
1 1 1   57    2   11 o   17.530   0.7981 1.146000 1.596000 
1 1 1   57    2   12 o   58.660   0.5723 1.551000 1.145000 
1 1 1   57    2   13 o   35.290   0.5148 -0.3884000 1.030000 
1 1 1   57    2   14 o   5.0840   1.5380 -0.3522000 3.076000 
1 1 1   57    2   15 o   54.360   0.5573 0.9566000E-01 1.115000 
1 1 1   57    2   16 o   22.600   0.7057 -3.373000 1.411000 
1 1 1   57    2   17 o   46.080   0.5418 -0.5174000 1.084000 
1 1 1   57    2   18 o   11.370   1.4400 -1.153000 2.880000 
1 1 1   57    2   19 o   25.150   0.7679 -3.051000 1.536000 
1 1 1   57    2   20 o   10.880   1.6940 3.268000 3.387000 
1 1 1   57    2   21 o   34.210   0.6636 -0.2167000 1.327000 
1 1 1   57    2   22 o   6.8440   1.8600 -0.4491000 3.719000 
1 1 1   57    2   23 f   25.280   0.8062 -0.4912000 1.612000 
1 1 1   57    2   24 o   14.340   1.4590 3.679000 2.918000 
1 1 1   57    2   25 o   12.580   1.5070 -2.937000 3.014000 
1 1 1   57    2   26 o   10.950   1.9940 -0.5921000 3.987000 
1 1 1   57    2   28 o   7.7250   1.9260 3.234000 3.853000 
1 1 1   57    2   29 o   5.7850   1.7390 2.651000 3.478000 
1 1 1   57    2   30 o   5.4140   1.6780 -0.6919000 3.356000 
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1 1 1   57    3    2 o   39.250   0.5892 -5.125000 1.178000 
1 1 1   57    3    3 o   37.600   0.5915 2.231000 1.183000 
1 1 1   57    3    4 o   39.130   0.5910 -1.586000 1.182000 
1 1 1   57    3    5 o   22.740   0.7567 -7.410000 1.513000 
1 1 1   57    3    6 o   18.050   0.8742 -1.900000 1.748000 
1 1 1   57    3    7 o   22.450   0.7362 0.8984000 1.472000 
1 1 1   57    3    8 o   50.580   0.6360 8.197000 1.272000 
1 1 1   57    3    9 o   65.240   0.7431 1.523000 1.486000 
1 1 1   57    3   10 o   65.190   0.7444 -2.695000 1.489000 
1 1 1   57    3   11 o   39.400   0.6165 1.236000 1.233000 
1 1 1   57    3   12 o   36.250   0.6175 -1.096000 1.235000 
1 1 1   57    3   13 o   53.390   0.6682 1.076000 1.336000 
1 1 1   57    3   14 o   26.430   0.7322 3.430000 1.464000 
1 1 1   57    3   15 o   30.780   0.6889 -1.635000 1.378000 
1 1 1   57    3   16 o   34.860   0.6103 -2.972000 1.221000 
1 1 1   57    3   17 o   31.570   0.6482 -0.8174000 1.296000 
1 1 1   57    3   18 o   13.840   1.3480 1.219000 2.696000 
1 1 1   57    3   19 o   21.900   0.8626 -2.400000 1.725000 
1 1 1   57    3   20 o   14.370   1.3190 0.9606000E-01 2.639000 
1 1 1   57    3   21 o   20.140   1.0210 3.213000 2.043000 
1 1 1   57    3   22 o   25.860   0.8118 -0.1451000 1.624000 
1 1 1   57    3   23 o   20.510   0.8995 1.156000 1.799000 
1 1 1   57    3   24 o   20.920   0.8748 -3.027000 1.750000 
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1 1 1   57    3   30 o   8.1960   1.7160 1.789000 3.432000 
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1 1 1   57    4    1 o   25.330   0.6869 -1.457000 1.374000 
1 1 1   57    4    2 o   22.240   0.7410 3.492000 1.482000 
1 1 1   57    4    3 o   47.530   0.6157 0.3355000 1.231000 
1 1 1   57    4    4 o   12.150   1.3940 -6.562000 2.787000 
1 1 1   57    4    5 o   15.910   0.9916 -3.005000 1.983000 
1 1 1   57    4    6 o   7.5840   1.7510 1.158000 3.503000 
1 1 1   57    4    7 o   22.890   0.7556 5.287000 1.511000 
1 1 1   57    4    8 o   46.150   0.6142 -2.502000 1.228000 
1 1 1   57    4    9 o   29.130   0.6554 -0.2251000 1.311000 
1 1 1   57    4   10 o   61.960   0.7223 -0.4621000 1.445000 
1 1 1   57    4   11 o   49.070   0.6438 -3.519000 1.288000 
1 1 1   57    4   12 o   46.410   0.6335 0.2107000E-01 1.267000 
1 1 1   57    4   13 o   20.900   0.8904 -5.492000 1.781000 
1 1 1   57    4   14 o   5.4850   1.6770 -1.383000 3.355000 
1 1 1   57    4   15 o   29.850   0.7111 0.5649000 1.422000 
1 1 1   57    4   16 o   31.390   0.7160 0.9664000 1.432000 
1 1 1   57    4   17 o   32.550   0.6892 0.7472000 1.378000 
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1 1 1   57    4   19 o   29.090   0.7786 -1.566000 1.557000 
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1 1 1   57    4   29 o   8.8630   1.7700 2.623000 3.539000 
1 1 1   57    4   30 o   4.9580   2.3880      ?      ? 
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1 1 1   57    5    2 o   10.840   1.5470 3.934000 3.095000 
1 1 1   57    5    3 o   46.080   0.6270 -0.1693000E-01 1.254000 
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1 1 1   57    5    8 o   43.590   0.6186 -0.4585000 1.237000 
1 1 1   57    5    9 o   56.990   0.6872 1.876000 1.374000 
1 1 1   57    5   10 o   47.740   0.6420 1.295000 1.284000 
1 1 1   57    5   11 o   56.330   0.6929 -5.404000 1.386000 
1 1 1   57    5   12 o   15.950   1.1180 -1.462000 2.236000 
1 1 1   57    5   13 o   27.680   0.7471 1.874000 1.494000 
1 1 1   57    5   14 o   12.980   1.5370 3.027000 3.074000 
1 1 1   57    5   15 o   21.740   0.9258 -2.873000 1.852000 
1 1 1   57    5   16 o   32.460   0.7045 -2.911000 1.409000 
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1 1 1   57    5   24 o   19.900   1.1760 0.4193000E-01 2.351000 
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1 1 1   57    5   28 o   9.9690   1.6730 5.669000 3.347000 
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1 1 1   57    6    2 o   58.270   0.6990 -0.4445000 1.398000 
1 1 1   57    6    3 o   45.240   0.6321 2.049000 1.264000 
1 1 1   57    6    4 o   51.610   0.6591 0.7074000 1.318000 
1 1 1   57    6    5 o   31.100   0.6481 2.374000 1.296000 
1 1 1   57    6    6 o   39.890   0.6272 2.774000 1.254000 
1 1 1   57    6    7 o   20.740   0.8661 -2.002000 1.732000 
1 1 1   57    6    8 o   45.560   0.6377 -2.555000 1.275000 
1 1 1   57    6    9 o   33.030   0.6481 1.333000 1.296000 
1 1 1   57    6   10 o   30.430   0.6873 -2.533000 1.375000 
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1 1 1   57    6   12 o   42.620   0.6564 1.778000 1.313000 
1 1 1   57    6   13 o   64.900   0.7707 4.398000 1.541000 
1 1 1   57    6   14 o   46.260   0.6742 -3.431000 1.348000 
1 1 1   57    6   15 o   20.940   1.0030 0.4552000 2.006000 
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1 1 1   57    6   17 o   28.060   0.8175 0.9333000 1.635000 
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1 1 1   57    7    3 o   32.690   0.6695 -3.420000 1.339000 
1 1 1   57    7    4 o   60.840   0.7256 -0.4529000 1.451000 
1 1 1   57    7    5 o   17.090   1.0540 -0.6947000 2.109000 
1 1 1   57    7    6 o   9.3390   1.8090 -1.786000 3.618000 
1 1 1   57    7    7 o   59.460   0.7171 -1.220000 1.434000 
1 1 1   57    7    8 f   40.910   0.6492 -1.198000 1.298000 
1 1 1   57    7    9 o   35.050   0.6627 -2.090000 1.325000 
1 1 1   57    7   10 o   33.760   0.6918 -3.185000 1.384000 
1 1 1   57    7   11 o   48.690   0.6794 0.4895000 1.359000 
1 1 1   57    7   12 o   23.480   0.8997 -4.024000 1.799000 
1 1 1   57    7   13 o   11.330   1.8080 -1.657000 3.616000 
1 1 1   57    7   14 o   41.200   0.6983 2.226000 1.397000 
1 1 1   57    7   15 o   29.550   0.8064 -0.4771000 1.613000 
1 1 1   57    7   16 o   42.330   0.7135 1.716000 1.427000 
1 1 1   57    7   17 o   30.380   0.8324 -0.5316000 1.665000 
1 1 1   57    7   18 o   15.780   1.5220 3.624000 3.045000 
1 1 1   57    7   19 o   11.980   2.8050      ?      ? 
1 1 1   57    7   20 o   30.230   0.8765 1.470000 1.753000 
1 1 1   57    7   21 o   16.460   1.5890 0.8055000 3.178000 
1 1 1   57    7   22 o   8.5180   2.1900 1.565000 4.379000 
1 1 1   57    7   23 o   7.3840   2.1000 -1.373000 4.200000 
1 1 1   57    7   24 o   19.970   1.2650 1.297000 2.530000 
1 1 1   57    7   25 o   16.580   1.5050 3.932000 3.010000 
1 1 1   57    7   26 o   13.560   1.6820 -7.478000 3.365000 
1 1 1   57    7   27 o   16.340   1.3340 -1.317000 2.668000 
1 1 1   57    7   28 o   10.660   1.9070 -0.2970000 3.813000 
1 1 1   57    8    0 o   5.5120   2.4220 -0.000000 0.000000 
1 1 1   57    8    1 o   36.050   0.6689 2.001000 1.338000 
1 1 1   57    8    2 o   43.990   0.6667 0.7595000 1.333000 
1 1 1   57    8    3 o   36.750   0.6616 0.5974000 1.323000 
1 1 1   57    8    4 o   28.580   0.7530 0.6171000 1.506000 
1 1 1   57    8    5 o   57.880   0.7158 -1.167000 1.432000 
1 1 1   57    8    6 o   12.000   1.6490 0.3832000 3.298000 
1 1 1   57    8    7 o   39.420   0.6654 2.459000 1.331000 
1 1 1   57    8    8 o   44.220   0.6732 -2.526000 1.346000 
1 1 1   57    8    9 o   42.460   0.6654 1.459000 1.331000 
1 1 1   57    8   10 o   40.410   0.6883 2.038000 1.377000 
1 1 1   57    8   11 o   12.420   1.7020 -2.586000 3.404000 
1 1 1   57    8   12 o   39.340   0.7027 -2.702000 1.405000 
1 1 1   57    8   13 o   24.960   0.8909 -0.8395000 1.782000 
1 1 1   57    8   14 o   20.890   1.0880 1.834000 2.176000 
1 1 1   57    8   15 o   27.140   0.8899 0.2511000 1.780000 
1 1 1   57    8   16 o   25.480   0.9703 1.617000 1.941000 
1 1 1   57    8   17 o   25.790   0.9746 -0.1546000 1.949000 
1 1 1   57    8   18 o   29.120   0.9185 -3.324000 1.837000 
1 1 1   57    8   19 o   22.540   1.1270 -3.622000 2.255000 
1 1 1   57    8   20 o   11.220   2.1820 -0.8126000 4.363000 
1 1 1   57    8   21 o   11.010   2.1990 4.223000 4.399000 
1 1 1   57    8   22 o   13.220   1.9450 7.640000 3.891000 
1 1 1   57    8   23 f   16.920   1.4340 -3.396000 2.869000 
1 1 1   57    8   24 o   18.620   1.3110 -2.616000 2.622000 
1 1 1   57    8   25 o   6.2160   1.9120 -2.667000 3.823000 
1 1 1   57    8   26 o   7.8040   2.0100 2.058000 4.020000 
1 1 1   57    8   27 o   8.9400   1.9430 3.284000 3.887000 
1 1 1   57    8   28 o   12.430   1.7750 -5.515000 3.550000 
1 1 1   57    9    0 o   59.420   1.0400 -0.000000 0.000000 
1 1 1   57    9    1 o   28.530   0.7692 1.468000 1.538000 
1 1 1   57    9    2 o   30.720   0.7580 2.274000 1.516000 
1 1 1   57    9    3 o   21.370   0.9808 -0.2455000E-01 1.962000 
1 1 1   57    9    4 o   13.290   1.6460 -7.186000 3.292000 
1 1 1   57    9    5 o   40.550   0.6802 0.7734000 1.360000 
1 1 1   57    9    6 o   16.640   1.2770 -3.308000 2.555000 
1 1 1   57    9    7 o   75.140   0.8534 2.928000 1.707000 
1 1 1   57    9    8 o   23.470   0.9438 -0.8399000 1.888000 
1 1 1   57    9    9 o   14.900   1.4600 0.8643000 2.920000 
1 1 1   57    9   10 o   22.180   1.0220 -0.6640000 2.044000 
1 1 1   57    9   11 o   16.710   1.3780 4.118000 2.757000 
1 1 1   57    9   12 f   18.810   1.2110 2.376000 2.421000 
1 1 1   57    9   13 o   15.430   1.5690 2.842000 3.138000 
1 1 1   57    9   14 o   25.450   0.9984 -1.197000 1.997000 
1 1 1   57    9   15 o   23.230   1.1190 -3.232000 2.237000 
1 1 1   57    9   16 o   45.060   0.7589 1.709000 1.518000 
1 1 1   57    9   17 o   34.490   0.8582 1.661000 1.716000 
1 1 1   57    9   18 o   37.360   0.8093 -2.107000 1.619000 
1 1 1   57    9   19 o   14.300   1.9110 -5.132000 3.821000 
1 1 1   57    9   20 o   6.5540   2.0370 -0.4060000 4.074000 
1 1 1   57    9   21 o   20.120   1.2540 -3.632000 2.509000 
1 1 1   57    9   22 o   10.370   2.0550 -5.511000 4.110000 
1 1 1   57    9   23 o   17.550   1.4300 -0.1796000E-01 2.861000 
1 1 1   57    9   24 o   12.880   1.9780 -1.597000 3.956000 
1 1 1   57    9   25 o   10.290   2.1570 -0.4278000 4.314000 
1 1 1   57    9   26 o   12.930   1.8260 -2.983000 3.653000 
1 1 1   57    9   27 o   5.3950   1.7590 0.1900000 3.519000 
1 1 1   57   10    0 o   7.6230   2.8630 -0.000000 0.000000 
1 1 1   57   10    1 o   24.580   0.9042 -1.293000 1.808000 
1 1 1   57   10    2 o   19.690   1.0970 4.842000 2.194000 
1 1 1   57   10    3 o   34.410   0.7668 -1.731000 1.534000 
1 1 1   57   10    4 o   30.170   0.8061 1.007000 1.612000 
1 1 1   57   10    5 o   9.0320   2.0620 1.646000 4.124000 
1 1 1   57   10    6 o   40.820   0.7221 2.400000 1.444000 
1 1 1   57   10    7 o   52.080   0.7221 -1.152000 1.444000 
1 1 1   57   10    8 o   29.790   0.8329 -0.5018000 1.666000 
1 1 1   57   10    9 o   25.350   0.9556 1.215000 1.911000 
1 1 1   57   10   10 o   16.940   1.4140 0.5825000 2.829000 
1 1 1   57   10   11 o   10.710   2.1020 3.046000 4.203000 
1 1 1   57   10   12 f   34.560   0.8205 -1.114000 1.641000 
1 1 1   57   10   13 o   19.680   1.3040 0.4721000 2.608000 
1 1 1   57   10   14 o   8.3600   2.1480 3.951000 4.297000 
1 1 1   57   10   15 f   19.780   1.3820 2.100000 2.764000 
1 1 1   57   10   16 o   10.480   2.1860 3.862000 4.372000 
1 1 1   57   10   17 o   14.290   1.9530 3.386000 3.905000 
1 1 1   57   10   18 o   10.810   2.1870 -1.346000 4.374000 
1 1 1   57   10   19 o   18.190   1.4170 -1.030000 2.834000 
1 1 1   57   10   20 o   14.140   1.8820 -2.444000 3.765000 
1 1 1   57   10   21 o   7.8910   2.1470 -2.908000 4.293000 
1 1 1   57   10   22 o   17.730   1.4100 -2.640000 2.819000 
1 1 1   57   10   23 o   13.650   1.8410 -3.382000 3.681000 
1 1 1   57   10   24 o   9.4590   2.2030 1.186000 4.405000 
1 1 1   57   10   25 o   8.3650   2.1510 -2.627000 4.303000 
1 1 1   57   10   26 o   7.5500   2.0900 -3.152000 4.179000 
1 1 1   57   11    0 o   16.900   1.9910 -0.000000 0.000000 
1 1 1   57   11    1 f   11.290   1.8620 -6.817000 3.723000 
1 1 1   57   11    2 o   42.380   0.7398 -0.7923000 1.480000 
1 1 1   57   11    3 o   11.370   1.9780 4.132000 3.956000 
1 1 1   57   11    4 o   19.230   1.2150 1.729000 2.430000 
1 1 1   57   11    5 o   47.140   0.7422 0.1566000 1.484000 
1 1 1   57   11    6 o   50.980   0.7444 -0.9598000 1.489000 
1 1 1   57   11    7 o   31.250   0.8382 2.668000 1.676000 
1 1 1   57   11    8 o   35.670   0.8009 0.2901000 1.602000 
1 1 1   57   11    9 o   26.130   0.9734 -1.016000 1.947000 
1 1 1   57   11   10 o   8.9570   2.1860 -2.563000 4.372000 
1 1 1   57   11   11 f   29.680   0.9341 2.291000 1.868000 
1 1 1   57   11   12 o   8.4100   2.2370 -2.145000 4.475000 
1 1 1   57   11   13 o   28.390   0.9972 -1.267000 1.994000 
1 1 1   57   11   14 o   21.740   1.2910 -1.545000 2.583000 
1 1 1   57   11   15 o   17.420   1.4730 -1.843000 2.946000 
1 1 1   57   11   16 o   10.710   2.0640 -6.607000 4.129000 
1 1 1   57   11   17 o   8.3900   3.1160      ?      ? 
1 1 1   57   11   18 o   20.120   1.3430 2.601000 2.687000 
1 1 1   57   11   19 f   16.030   1.7080 -2.574000 3.417000 
1 1 1   57   11   20 f   12.290   2.1270 1.640000 4.254000 
1 1 1   57   11   21 o   7.6750   2.1550 1.390000 4.310000 
1 1 1   57   11   22 o   17.000   1.5120 -1.545000 3.024000 
1 1 1   57   11   23 o   6.6440   2.0220 -0.3446000 4.044000 
1 1 1   57   11   24 o   7.2340   2.0850 -1.354000 4.170000 
1 1 1   57   11   25 o   10.800   2.1040 -1.538000 4.208000 
1 1 1   57   11   26 o   7.0470   2.0510 1.337000 4.102000 
1 1 1   57   12    0 o   13.450   2.6740 -0.000000 0.000000 
1 1 1   57   12    1 o   20.750   1.2060 1.205000 2.411000 
1 1 1   57   12    2 o   11.890   1.9640 -5.752000 3.928000 
1 1 1   57   12    3 o   51.990   0.7701 0.5567000 1.540000 
1 1 1   57   12    4 o   50.270   0.7580 -1.621000 1.516000 
1 1 1   57   12    5 o   15.470   1.6980 1.495000 3.395000 
1 1 1   57   12    6 o   44.640   0.7745 1.142000 1.549000 
1 1 1   57   12    7 o   31.320   0.8929 2.128000 1.786000 
1 1 1   57   12    8 o   6.5330   1.8950 -4.566000 3.789000 
1 1 1   57   12    9 o   21.730   1.2470 -0.2775000 2.494000 
1 1 1   57   12   10 o   16.290   1.7290 0.3881000 3.457000 
1 1 1   57   12   11 o   37.110   0.8768 0.6278000 1.754000 
1 1 1   57   12   12 o   16.350   1.6580 -5.668000 3.315000 
1 1 1   57   12   13 o   21.070   1.3100 1.005000 2.620000 
1 1 1   57   12   14 o   8.5390   2.2590 0.8377000 4.518000 
1 1 1   57   12   15 o   10.310   2.2660 2.888000 4.531000 
1 1 1   57   12   16 o   11.820   2.1870 -3.407000 4.373000 
1 1 1   57   12   17 o   5.8850   1.9160 -2.671000 3.832000 
1 1 1   57   12   18 o   18.000   1.5240 -0.1041000 3.048000 
1 1 1   57   12   19 o   10.100   2.2930 -0.2087000 4.587000 
1 1 1   57   12   20 o   13.440   1.9670 -7.354000 3.934000 
1 1 1   57   12   21 o   13.270   1.9960 0.7903000 3.992000 
1 1 1   57   12   22 o   14.040   1.8960 -1.372000 3.793000 
1 1 1   57   12   23 o   18.490   1.4190 0.8013000 2.838000 
1 1 1   57   12   24 o   9.2480   2.2160 1.519000 4.432000 
1 1 1   57   12   25 o   7.0950   2.0830 -2.307000 4.165000 
1 1 1   57   13    0 o   9.4740   3.2160 -0.000000 0.000000 
1 1 1   57   13    1 o   19.910   1.3810 2.886000 2.763000 
1 1 1   57   13    2 o   28.320   0.9965 1.225000 1.993000 
1 1 1   57   13    3 o   22.940   1.2360 -4.366000 2.471000 
1 1 1   57   13    4 o   16.590   1.6800 -1.725000 3.360000 
1 1 1   57   13    5 o   33.700   0.9331 2.297000 1.866000 
1 1 1   57   13    6 o   28.590   1.0560 -2.048000 2.113000 
1 1 1   57   13    7 o   17.740   1.7340 9.380000 3.469000 
1 1 1   57   13    8 o   21.250   1.3700 -4.614000 2.740000 
1 1 1   57   13    9 o   8.4270   2.2370 -1.596000 4.474000 
1 1 1   57   13   10 o   19.820   1.3990 1.478000 2.798000 
1 1 1   57   13   11 o   10.770   2.3060 0.7790000 4.612000 
1 1 1   57   13   12 o   7.4560   2.0860 3.693000 4.172000 
1 1 1   57   13   13 o   11.800   2.2000 -4.547000 4.401000 
1 1 1   57   13   14 o   13.450   2.1400 -0.8622000 4.280000 
1 1 1   57   13   15 f   10.680   2.2630 3.816000 4.526000 
1 1 1   57   13   16 o   18.860   1.5480 -0.1935000 3.095000 
1 1 1   57   13   17 o   10.730   2.2750 1.797000 4.549000 
1 1 1   57   13   18 o   13.240   2.0860 -3.921000 4.172000 
1 1 1   57   13   19 o   12.700   2.1340 -1.667000 4.268000 
1 1 1   57   13   20 o   11.650   2.1190 4.652000 4.239000 
1 1 1   57   13   21 o   11.150   2.2560 0.7698000 4.513000 
1 1 1   57   13   22 o   6.7940   2.0770 -0.1191000 4.154000 
1 1 1   57   13   23 o   7.7300   2.1820 0.7547000 4.364000 
1 1 1   57   13   24 o   9.8830   2.3250 0.6817000 4.651000 
1 1 1   57   14    0 o   34.320   1.3290 -0.000000 0.000000 
1 1 1   57   14    1 o   18.390   1.6300 -2.670000 3.259000 
1 1 1   57   14    2 o   6.8720   2.1350 -0.8198000 4.271000 
1 1 1   57   14    3 o   16.470   1.8840 3.053000 3.768000 
1 1 1   57   14    4 o   12.720   2.2770 -2.532000 4.555000 
1 1 1   57   14    5 o   9.1840   2.3160 -0.4407000 4.632000 
1 1 1   57   14    6 o   21.350   1.2980 1.091000 2.596000 
1 1 1   57   14    7 o   22.070   1.2930 1.345000 2.585000 
1 1 1   57   14    8 o   8.6130   2.1600 -5.464000 4.320000 
1 1 1   57   14    9 o   24.530   1.1730 5.136000 2.346000 
1 1 1   57   14   10 f   5.8680   1.9270 -0.2794000 3.854000 
1 1 1   57   14   11 f   21.270   1.3430 -2.281000 2.686000 
1 1 1   57   14   12 o   6.4310   2.0480 -1.601000 4.097000 
1 1 1   57   14   13 o   18.200   1.6260 0.3211000 3.252000 
1 1 1   57   14   14 o   14.360   2.0330 -0.7208000 4.066000 
1 1 1   57   14   15 o   8.4360   2.3010 0.5896000 4.602000 
1 1 1   57   14   16 o   9.7070   2.3820 0.1633000 4.765000 
1 1 1   57   14   17 o   12.060   2.2730 1.308000 4.545000 
1 1 1   57   14   18 o   12.380   2.1970 -4.139000 4.393000 
1 1 1   57   14   19 o   6.7190   2.0650 -2.998000 4.131000 
1 1 1   57   14   20 o   6.8900   2.0920 0.7891000 4.185000 
1 1 1   57   14   21 o   8.6810   2.1540 3.569000 4.308000 
1 1 1   57   14   22 o   10.310   2.2580 -0.9355000 4.516000 
1 1 1   57   15    0 o   7.2330   3.1430 -0.000000 0.000000 
1 1 1   57   15    1 o   13.830   2.0720 -1.894000 4.143000 
1 1 1   57   15    2 o   9.8910   2.3720 -3.183000 4.743000 
1 1 1   57   15    3 o   6.4890   2.0670 0.1894000E-02 4.134000 
1 1 1   57   15    4 o   17.420   1.6850 0.9410000 3.370000 
1 1 1   57   15    5 o   19.190   1.5670 -6.273000 3.135000 
1 1 1   57   15    6 o   19.750   1.5320 -0.5069000 3.064000 
1 1 1   57   15    7 o   11.690   2.0290 8.312000 4.057000 
1 1 1   57   15    8 o   24.100   1.2250 -2.179000 2.449000 
1 1 1   57   15    9 o   21.340   1.4430 3.503000 2.886000 
1 1 1   57   15   10 o   34.790   0.9404 1.501000 1.881000 
1 1 1   57   15   11 o   16.520   1.9790 8.685000 3.959000 
1 1 1   57   15   12 o   19.360   1.5230 -2.414000 3.045000 
1 1 1   57   15   13 o   14.510   2.0360 2.439000 4.073000 
1 1 1   57   15   14 o   16.450   1.8960 2.784000 3.792000 
1 1 1   57   15   15 o   11.770   2.2420 4.742000 4.483000 
1 1 1   57   15   16 o   5.6530   1.8870 0.8489000 3.774000 
1 1 1   57   15   17 o   9.1330   2.2900 -3.519000 4.580000 
1 1 1   57   15   18 o   10.670   2.2920 1.595000 4.584000 
1 1 1   57   15   19 o   6.7360   2.0750 -1.345000 4.150000 
1 1 1   57   15   20 o   6.0490   1.9440 0.7218000 3.889000 
1 1 1   57   15   21 o   8.5870   2.2240 -2.846000 4.448000 
1 1 1   57   16    0 o   8.1820   3.2070 -0.000000 0.000000 
1 1 1   57   16    1 o   25.890   1.1040 -1.029000 2.209000 
1 1 1   57   16    2 o   6.4080   2.0320 0.4183000 4.063000 
1 1 1   57   16    3 o   18.240   1.5390 -2.946000 3.078000 
1 1 1   57   16    4 o   14.940   1.8910 1.430000 3.782000 
1 1 1   57   16    5 o   14.070   2.1210 -1.630000 4.241000 
1 1 1   57   16    6 o   9.5640   2.4210 -1.949000 4.841000 
1 1 1   57   16    7 o   20.010   1.5390 2.606000 3.077000 
1 1 1   57   16    8 o   23.660   1.2830 -1.850000 2.567000 
1 1 1   57   16    9 o   31.790   0.9876 1.795000 1.975000 
1 1 1   57   16   10 o   10.850   2.2620 -7.009000 4.524000 
1 1 1   57   16   11 o   7.2530   2.2800 -1.335000 4.560000 
1 1 1   57   16   12 o   15.400   1.9860 2.258000 3.972000 
1 1 1   57   16   13 o   15.640   1.9440 0.4004000E-01 3.888000 
1 1 1   57   16   14 o   7.9240   2.2930 -0.6451000E-01 4.585000 
1 1 1   57   16   15 o   7.4860   2.2290 -1.490000 4.457000 
1 1 1   57   16   16 o   7.4040   2.1200 3.377000 4.240000 
1 1 1   57   16   17 o   8.2480   2.2730 -1.249000 4.545000 
1 1 1   57   16   18 o   8.3920   2.2700 0.4419000E-01 4.539000 
1 1 1   57   16   19 o   6.1230   1.9420 1.423000 3.883000 
1 1 1   57   16   20 o   10.660   2.9640 0.1848000 5.927000 
1 1 1   57   17    0 o   6.5230   2.9410 -0.000000 0.000000 
1 1 1   57   17    1 o   10.050   2.2450 4.583000 4.489000 
1 1 1   57   17    2 o   18.430   1.5900 3.347000 3.181000 
1 1 1   57   17    3 o   14.130   2.0410 3.628000 4.082000 
1 1 1   57   17    4 o   5.9090   1.9320 1.088000 3.864000 
1 1 1   57   17    5 o   12.720   1.9770 9.125000 3.954000 
1 1 1   57   17    6 o   17.310   1.6900 1.087000 3.379000 
1 1 1   57   17    7 o   19.220   1.4730 -0.2517000 2.947000 
1 1 1   57   17    8 o   21.550   1.3590 -5.770000 2.718000 
1 1 1   57   17    9 o   9.2260   2.2140 4.389000 4.429000 
1 1 1   57   17   10 o   7.7200   2.0430 -5.299000 4.086000 
1 1 1   57   17   11 o   14.700   1.9620 1.112000 3.924000 
1 1 1   57   17   12 o   14.820   1.9510 -1.219000 3.901000 
1 1 1   57   17   13 o   13.140   2.1950 4.483000 4.389000 
1 1 1   57   17   14 o   8.5930   3.2260      ?      ? 
1 1 1   57   17   15 o   6.8870   2.1310 -0.7457000 4.262000 
1 1 1   57   17   16 o   6.9240   2.1180 0.1180000 4.237000 
1 1 1   57   17   17 o   8.4570   2.2370 1.449000 4.473000 
1 1 1   57   17   18 o   8.2370   2.1660 3.065000 4.331000 
1 1 1   57   18    0 o   15.550   2.6390 -0.000000 0.000000 
1 1 1   57   18    1 o   20.950   1.4120 -1.101000 2.824000 
1 1 1   57   18    2 o   7.8740   2.2550 -1.716000 4.509000 
1 1 1   57   18    3 o   10.090   2.3680 1.332000 4.735000 
1 1 1   57   18    4 o   10.140   2.3640 -1.339000 4.727000 
1 1 1   57   18    5 o   10.030   2.2660 -4.552000 4.533000 
1 1 1   57   18    6 o   8.0410   2.2590 1.619000 4.518000 
1 1 1   57   18    7 f   15.160   1.9710 -4.312000 3.942000 
1 1 1   57   18    8 o   8.0730   2.0350 6.029000 4.070000 
1 1 1   57   18    9 o   15.900   1.8410 6.517000 3.683000 
1 1 1   57   18   10 o   8.5920   2.2800 1.158000 4.561000 
1 1 1   57   18   11 o   9.8000   2.3230 -0.7956000 4.646000 
1 1 1   57   18   12 o   7.4090   2.1440 -2.300000 4.289000 
1 1 1   57   18   13 o   12.750   2.1180 1.969000 4.235000 
1 1 1   57   18   14 o   6.8510   2.0800 0.6342000 4.160000 
1 1 1   57   18   15 o   10.290   2.1230 -4.492000 4.247000 
1 1 1   57   18   16 o   9.0120   2.7090 4.615000 5.418000 
1 1 1   57   19    0 o   6.2240   2.8520 -0.000000 0.000000 
1 1 1   57   19    1 o   6.3840   2.0220 -2.025000 4.043000 
1 1 1   57   19    2 o   8.3900   2.3080 -0.2509000E-01 4.617000 
1 1 1   57   19    3 o   9.5260   2.3550 -1.257000 4.709000 
1 1 1   57   19    4 o   9.8900   2.3450 2.374000 4.691000 
1 1 1   57   19    5 o   6.3390   2.0200 1.120000 4.040000 
1 1 1   57   19    6 o   7.7930   2.2300 -0.4346000E-01 4.460000 
1 1 1   57   19    7 o   14.530   1.9680 -1.070000 3.936000 
1 1 1   57   19    8 o   12.350   2.1910 0.8564000 4.381000 
1 1 1   57   19    9 o   7.2760   2.1340 -2.076000 4.269000 
1 1 1   57   19   10 o   6.3760   2.0190 0.7271000 4.037000 
1 1 1   57   19   11 o   7.6120   2.1860 1.752000 4.371000 
1 1 1   57   19   12 f   13.970   1.9560 7.406000 3.912000 
1 1 1   57   19   13 o   6.4990   2.0130 2.403000 4.026000 
1 1 1   57   20    0 o   13.550   3.0000 -0.000000 0.000000 
1 1 1   57   20    1 o   10.510   2.2950 -3.539000 4.590000 
1 1 1   57   20    2 o   7.0970   1.9930 5.347000 3.985000 
1 1 1   57   20    3 o   8.9210   2.2810 -3.294000 4.563000 
1 1 1   57   20    4 o   7.8970   2.2420 0.9144000 4.484000 
1 1 1   57   20    5 f   7.4360   2.1570 2.097000 4.315000 
1 1 1   57   20    6 o   11.180   2.1050 -6.354000 4.210000 
1 1 1   57   20    7 o   7.2330   2.1250 -1.988000 4.249000 
1 1 1   57   20    8 o   6.4230   1.9850 1.938000 3.971000 
1 1 1   57   20    9 o   8.8400   2.2390 -1.871000 4.478000 
1 1 1   57   21    0 f   6.5950   2.9150 -0.000000 0.000000 
1 1 1   57   21    1 o   11.740   2.2410 1.608000 4.483000 
1 1 1   57   21    2 o   8.9840   2.1560 4.683000 4.313000 
1 1 1   57   21    3 o   8.2170   2.2570 1.675000 4.514000 
1 1 1   58    0    0 o   48.600   1.2670 -0.000000 0.000000 
1 1 1   58    0    1 o   52.880   0.9322 -0.000000 0.000000 
1 1 1   58    0    2 o   4.8760   2.2130 -0.000000 0.000000 
1 1 1   58    0    3 o   21.460   1.1650 -0.000000 0.000000 
1 1 1   58    0    4 o   12.350   2.0350 -0.000000 0.000000 
1 1 1   58    0    6 o   68.750   1.0980 -0.000000 0.000000 
1 1 1   58    0    7 o   35.500   0.8978 -0.000000 0.000000 
1 1 1   58    0    8 o   12.970   1.9040 -0.000000 0.000000 
1 1 1   58    0    9 o   13.650   1.8310 -0.000000 0.000000 
1 1 1   58    0   10 o   21.920   1.2330 -0.000000 0.000000 
1 1 1   58    0   11 o   55.390   0.9683 -0.000000 0.000000 
1 1 1   58    0   12 o   15.680   1.6600 -0.000000 0.000000 
1 1 1   58    0   13 o   41.910   0.9263 -0.000000 0.000000 
1 1 1   58    0   14 o   53.800   0.9795 -0.000000 0.000000 
1 1 1   58    0   15 o   44.560   0.9488 -0.000000 0.000000 
1 1 1   58    0   16 o   13.890   2.0950 -0.000000 0.000000 
1 1 1   58    0   17 o   27.850   1.1700 -0.000000 0.000000 
1 1 1   58    0   18 o   22.300   1.3530 -0.000000 0.000000 
1 1 1   58    0   19 o   30.900   1.1000 -0.000000 0.000000 
1 1 1   58    0   20 o   7.4240   2.8390 -0.000000 0.000000 
1 1 1   58    0   21 o   12.750   2.4230 -0.000000 0.000000 
1 1 1   58    0   22 o   8.5730   2.9930 -0.000000 0.000000 
1 1 1   58    0   23 o   16.670   1.9040 -0.000000 0.000000 
1 1 1   58    0   24 o   34.590   1.1040 -0.000000 0.000000 
1 1 1   58    0   25 o   15.620   2.0160 -0.000000 0.000000 
1 1 1   58    0   26 o   9.2680   2.9660 -0.000000 0.000000 
1 1 1   58    0   27 o   11.760   2.6510 -0.000000 0.000000 
1 1 1   58    0   28 o   13.780   2.1680 -0.000000 0.000000 
1 1 1   58    0   29 o   6.8550   2.6870 -0.000000 0.000000 
1 1 1   58    0   30 o   5.6230   2.4170 -0.000000 0.000000 
1 1 1   58    1    0 o   11.180   1.5990 -0.000000 0.000000 
1 1 1   58    1    1 o   78.560   0.7021 -1.305000 1.404000 
1 1 1   58    1    2 o   15.860   0.8147 -1.278000 1.629000 
1 1 1   58    1    3 f   38.500   0.4905 1.801000 0.9810000 
1 1 1   58    1    4 o   36.840   0.4932 0.7267000 0.9863000 
1 1 1   58    1    5 o   27.610   0.5354 -3.164000 1.071000 
1 1 1   58    1    6 o   26.770   0.5448 -0.9572000 1.090000 
1 1 1   58    1    7 o   34.100   0.5033 1.181000 1.007000 
1 1 1   58    1    8 o   53.300   0.5360 0.2610000 1.072000 
1 1 1   58    1    9 o   32.960   0.5124 -0.3610000 1.025000 
1 1 1   58    1   10 o   29.640   0.6105 1.287000 1.221000 
1 1 1   58    1   11 o   19.950   0.8207 0.3744000 1.641000 
1 1 1   58    1   12 o   18.690   0.8648 -1.006000 1.730000 
1 1 1   58    1   13 o   38.610   0.5708 -2.603000 1.142000 
1 1 1   58    1   14 o   20.570   0.8127 -0.3943000 1.625000 
1 1 1   58    1   15 o   51.390   0.6173 -1.862000 1.235000 
1 1 1   58    1   16 o   41.230   0.5967 -0.4053000 1.193000 
1 1 1   58    1   17 o   15.290   1.3060 -0.2155000 2.611000 
1 1 1   58    1   18 o   30.070   0.7637 0.1599000 1.527000 
1 1 1   58    1   19 o   20.450   1.0810 -2.356000 2.163000 
1 1 1   58    1   20 o   19.850   1.1120 -1.186000 2.223000 
1 1 1   58    1   21 o   22.880   1.0160 2.406000 2.031000 
1 1 1   58    1   22 o   25.180   0.9282 -2.094000 1.856000 
1 1 1   58    1   23 o   19.400   1.1740 -2.236000 2.348000 
1 1 1   58    1   24 o   20.590   1.1190 -1.477000 2.239000 
1 1 1   58    1   25 o   21.770   1.0510 0.2653000 2.102000 
1 1 1   58    1   26 o   19.100   1.1820 -1.469000 2.363000 
1 1 1   58    1   27 o   8.5750   2.0230 1.224000 4.046000 
1 1 1   58    1   28 o   7.3230   1.9110 2.850000 3.822000 
1 1 1   58    1   29 o   15.790   1.2880 -4.663000 2.577000 
1 1 1   58    1   30 f   7.8180   1.6970 5.082000 3.393000 
1 1 1   58    2    0 o   17.750   1.2600 -0.000000 0.000000 
1 1 1   58    2    1 o   33.780   0.5956 -0.7505000 1.191000 
1 1 1   58    2    2 o   15.300   0.9671 -3.206000 1.934000 
1 1 1   58    2    3 f   60.010   0.6365 -0.9417000 1.273000 
1 1 1   58    2    4 o   24.090   0.6356 -1.341000 1.271000 
1 1 1   58    2    5 o   16.590   1.1120      ?      ? 
1 1 1   58    2    6 o   4.8040   1.4700 -2.393000 2.940000 
1 1 1   58    2    7 o   23.170   0.6655 -1.465000 1.331000 
1 1 1   58    2    8 o   42.520   0.5516 0.5068000 1.103000 
1 1 1   58    2    9 o   17.020   0.8181 3.447000 1.636000 
1 1 1   58    2   10 f   30.670   0.5278 -1.908000 1.056000 
1 1 1   58    2   11 o   22.850   0.6508 -0.3453000 1.302000 
1 1 1   58    2   12 o   29.060   0.5643 -0.8659000 1.129000 
1 1 1   58    2   13 o   17.100   0.8465 -0.2756000 1.693000 
1 1 1   58    2   14 o   40.520   0.5283 -1.784000 1.057000 
1 1 1   58    2   15 o   42.360   0.5272 3.622000 1.054000 
1 1 1   58    2   16 o   10.480   1.4740 -1.988000 2.948000 
1 1 1   58    2   17 o   30.660   0.6026 -2.243000 1.205000 
1 1 1   58    2   18 o   21.820   0.7707 -3.243000 1.541000 
1 1 1   58    2   19 o   17.110   1.1360 2.769000 2.271000 
1 1 1   58    2   20 o   8.5170   1.9150 -3.240000 3.830000 
1 1 1   58    2   21 o   14.640   1.3130 -1.409000 2.626000 
1 1 1   58    2   22 o   12.030   1.6630 0.8150000 3.327000 
1 1 1   58    2   23 o   10.350   1.7830 -5.907000 3.566000 
1 1 1   58    2   24 f   11.210   1.6650 6.736000 3.331000 
1 1 1   58    2   25 o   17.010   1.1420 0.9114000 2.285000 
1 1 1   58    2   26 o   6.7620   1.9950 0.2483000 3.990000 
1 1 1   58    2   27 o   7.7890   2.0480 -0.3932000 4.096000 
1 1 1   58    2   28 o   12.720   1.7010 -5.825000 3.401000 
1 1 1   58    2   29 o   9.2370   1.9520 -0.1782000E-01 3.905000 
1 1 1   58    2   30 o   6.5710   1.8080 1.973000 3.617000 
1 1 1   58    3    0 o   25.020   0.9739 -0.000000 0.000000 
1 1 1   58    3    1 o   30.390   0.6159 5.616000 1.232000 
1 1 1   58    3    2 o   11.940   1.3970 2.979000 2.793000 
1 1 1   58    3    3 o   12.740   1.2130 -2.784000 2.426000 
1 1 1   58    3    4 o   50.880   0.6377 0.1099000 1.275000 
1 1 1   58    3    5 o   32.980   0.6035 1.050000 1.207000 
1 1 1   58    3    6 o   37.920   0.5925 -1.508000 1.185000 
1 1 1   58    3    7 o   14.410   1.1140 -3.421000 2.228000 
1 1 1   58    3    8 o   30.610   0.6278 1.709000 1.256000 
1 1 1   58    3    9 o   10.460   1.5470 2.708000 3.094000 
1 1 1   58    3   10 o   42.790   0.6200 -2.892000 1.240000 
1 1 1   58    3   11 o   59.750   0.7065 1.350000 1.413000 
1 1 1   58    3   12 o   13.900   1.3250 -6.436000 2.650000 
1 1 1   58    3   13 o   27.800   0.6898 -0.7044000E-01 1.380000 
1 1 1   58    3   14 o   54.100   0.6816 -2.277000 1.363000 
1 1 1   58    3   15 o   33.960   0.6044 -3.342000 1.209000 
1 1 1   58    3   16 o   32.230   0.6292 0.7321000E-01 1.258000 
1 1 1   58    3   17 o   12.330   1.4930 -0.2937000 2.986000 
1 1 1   58    3   18 o   33.580   0.6488 -0.5502000 1.298000 
1 1 1   58    3   19 o   21.060   0.8981 -3.854000 1.796000 
1 1 1   58    3   20 o   8.0750   1.8140 -5.107000 3.627000 
1 1 1   58    3   21 o   23.640   0.8903 1.601000 1.781000 
1 1 1   58    3   22 o   7.8900   1.8490 2.166000 3.699000 
1 1 1   58    3   23 o   13.350   1.4070 0.5210000 2.814000 
1 1 1   58    3   24 o   5.7060   1.7340 0.3873000 3.468000 
1 1 1   58    3   25 o   9.8590   1.9070 -0.6492000 3.814000 
1 1 1   58    3   26 o   12.220   1.6230 -0.5575000 3.247000 
1 1 1   58    3   27 o   10.430   1.7610 0.1340000 3.521000 
1 1 1   58    3   28 o   12.830   1.4640 0.9114000 2.929000 
1 1 1   58    3   29 o   8.0620   1.7950 -3.380000 3.590000 
1 1 1   58    3   30 o   9.6720   3.0860      ?      ? 
1 1 1   58    4    0 o   51.150   0.9055 -0.000000 0.000000 
1 1 1   58    4    1 o   28.980   0.6418 -2.432000 1.284000 
1 1 1   58    4    2 o   25.120   0.6935 0.6513000 1.387000 
1 1 1   58    4    3 o   30.830   0.6266 -0.6145000 1.253000 
1 1 1   58    4    4 o   6.3360   1.6480 3.083000 3.295000 
1 1 1   58    4    5 f   35.940   0.6058 0.6900000 1.212000 
1 1 1   58    4    6 o   25.800   0.6840 -1.462000 1.368000 
1 1 1   58    4    7 o   15.950   1.0280 -0.1607000 2.056000 
1 1 1   58    4    8 o   29.280   0.6644 3.696000 1.329000 
1 1 1   58    4    9 o   58.240   0.6943 3.964000 1.389000 
1 1 1   58    4   10 o   35.800   0.6273 -2.154000 1.255000 
1 1 1   58    4   11 o   34.100   0.6365 -0.9601000 1.273000 
1 1 1   58    4   12 o   24.670   0.7597 0.2411000E-02 1.519000 
1 1 1   58    4   13 o   60.650   0.7272 -1.940000 1.454000 
1 1 1   58    4   14 o   11.500   1.6340 -2.467000 3.268000 
1 1 1   58    4   15 o   13.620   1.4180 -1.340000 2.837000 
1 1 1   58    4   16 o   25.840   0.8105 -2.477000 1.621000 
1 1 1   58    4   17 o   21.390   0.9342 0.9182000E-01 1.868000 
1 1 1   58    4   18 o   4.4830   1.5250 -0.8808000 3.050000 
1 1 1   58    4   19 o   29.330   0.7844 -2.900000 1.569000 
1 1 1   58    4   20 o   11.040   1.9070 0.3757000 3.814000 
1 1 1   58    4   21 o   8.8360   1.9990 -4.137000 3.998000 
1 1 1   58    4   22 o   20.160   1.0500 -0.7965000 2.100000 
1 1 1   58    4   23 o   15.050   1.4070 -1.661000 2.815000 
1 1 1   58    4   24 o   12.690   1.6450 -7.816000 3.289000 
1 1 1   58    4   25 o   6.6690   1.8960 -3.169000 3.792000 
1 1 1   58    4   26 o   9.0190   1.8510 -6.164000 3.702000 
1 1 1   58    4   27 o   8.2730   1.9720 -1.216000 3.944000 
1 1 1   58    4   28 o   22.570   0.9545 4.203000 1.909000 
1 1 1   58    4   29 o   7.5460   1.6880 2.993000 3.376000 
1 1 1   58    5    0 o   38.370   0.8582 -0.000000 0.000000 
1 1 1   58    5    1 o   21.200   0.8203 -0.9833000 1.641000 
1 1 1   58    5    2 o   34.530   0.6222 -1.103000 1.244000 
1 1 1   58    5    3 o   25.620   0.7052 -1.100000 1.410000 
1 1 1   58    5    4 o   39.230   0.6128 -1.396000 1.226000 
1 1 1   58    5    5 o   79.530   0.8737 -1.269000 1.747000 
1 1 1   58    5    6 o   29.670   0.6717 1.190000 1.343000 
1 1 1   58    5    7 o   17.040   1.0660 6.071000 2.131000 
1 1 1   58    5    8 o   41.030   0.8670      ?      ? 
1 1 1   58    5    9 o   7.2400   1.7600 -3.140000 3.519000 
1 1 1   58    5   10 o   68.770   0.7831 2.094000 1.566000 
1 1 1   58    5   11 o   16.990   1.0650 -0.9612000 2.131000 
1 1 1   58    5   12 o   22.370   0.8509 -4.883000 1.702000 
1 1 1   58    5   13 o   7.0870   1.8870 -1.640000 3.774000 
1 1 1   58    5   14 o   69.050   0.7970 -3.381000 1.594000 
1 1 1   58    5   15 o   51.310   0.6873 -0.4338000 1.375000 
1 1 1   58    5   16 o   39.940   0.6902 1.120000 1.380000 
1 1 1   58    5   17 o   21.900   0.9784 4.329000 1.957000 
1 1 1   58    5   18 f   31.190   0.7774 -1.937000 1.555000 
1 1 1   58    5   19 o   14.120   1.6380 2.898000 3.275000 
1 1 1   58    5   20 o   12.690   2.6300      ?      ? 
1 1 1   58    5   21 o   14.960   1.5360 -0.1013000 3.073000 
1 1 1   58    5   22 o   24.580   0.9888 0.5544000 1.978000 
1 1 1   58    5   23 o   12.410   2.8550      ?      ? 
1 1 1   58    5   24 o   7.4400   1.9890 2.814000 3.978000 
1 1 1   58    5   25 o   7.2750   1.9180 3.552000 3.835000 
1 1 1   58    5   26 o   11.150   1.9530 0.6281000 3.905000 
1 1 1   58    5   27 o   12.000   1.8260 -1.526000 3.653000 
1 1 1   58    5   28 o   19.200   1.0290 0.5763000E-01 2.058000 
1 1 1   58    5   29 o   6.1730   1.7780 -2.633000 3.556000 
1 1 1   58    6    0 o   16.480   1.5230 -0.000000 0.000000 
1 1 1   58    6    1 o   48.880   0.6451 1.301000 1.290000 
1 1 1   58    6    2 o   75.480   0.8426 2.470000 1.685000 
1 1 1   58    6    3 o   33.010   0.6426 -1.091000 1.285000 
1 1 1   58    6    4 o   25.330   0.7361 1.796000 1.472000 
1 1 1   58    6    5 o   55.350   0.6827 -1.590000 1.365000 
1 1 1   58    6    6 o   30.400   0.6849 -1.019000 1.370000 
1 1 1   58    6    7 o   62.450   0.7345 -2.804000 1.469000 
1 1 1   58    6    8 o   63.840   0.7454 -2.823000 1.491000 
1 1 1   58    6    9 o   39.050   0.6374 3.033000 1.275000 
1 1 1   58    6   10 o   15.060   1.2940 4.958000 2.587000 
1 1 1   58    6   11 o   7.2630   1.8670 -1.488000 3.733000 
1 1 1   58    6   12 o   51.190   0.6837 -1.324000 1.367000 
1 1 1   58    6   13 o   46.260   0.6790 -1.124000 1.358000 
1 1 1   58    6   14 o   12.110   1.6780 6.951000 3.356000 
1 1 1   58    6   15 o   33.290   0.7450 -2.181000 1.490000 
1 1 1   58    6   16 o   19.140   1.1170 -2.037000 2.234000 
1 1 1   58    6   17 o   31.930   0.7731 -0.2605000 1.546000 
1 1 1   58    6   18 o   24.250   0.9536 0.8881000 1.907000 
1 1 1   58    6   19 o   6.2440   1.9030 -2.250000 3.805000 
1 1 1   58    6   20 o   8.7650   1.9540 5.019000 3.908000 
1 1 1   58    6   21 o   12.880   1.8090 -6.384000 3.617000 
1 1 1   58    6   22 o   18.200   1.3370 -0.6435000 2.674000 
1 1 1   58    6   23 o   12.740   1.9290 -1.638000 3.859000 
1 1 1   58    6   24 o   10.960   2.0250 4.289000 4.051000 
1 1 1   58    6   25 o   12.970   1.8690 4.096000 3.737000 
1 1 1   58    6   26 o   8.8970   2.0510 -3.341000 4.102000 
1 1 1   58    6   27 o   17.320   1.3240 1.632000 2.648000 
1 1 1   58    6   28 o   10.610   1.8590 -0.1146000E-01 3.718000 
1 1 1   58    6   29 o   15.420   1.5140 -2.672000 3.028000 
1 1 1   58    7    0 o   43.950   0.9061 -0.000000 0.000000 
1 1 1   58    7    1 o   87.740   0.9551 -0.9135000 1.910000 
1 1 1   58    7    2 o   34.640   0.6657 -0.2266000 1.331000 
1 1 1   58    7    3 o   10.450   1.7500 -1.684000 3.499000 
1 1 1   58    7    4 o   42.810   0.6476 1.222000 1.295000 
1 1 1   58    7    5 o   17.730   1.0450 -5.176000 2.089000 
1 1 1   58    7    6 o   6.6040   1.7570 -3.553000 3.513000 
1 1 1   58    7    7 o   42.520   0.6541 -1.353000 1.308000 
1 1 1   58    7    8 f   28.270   0.7388 -1.672000 1.478000 
1 1 1   58    7    9 o   37.220   0.6559 -3.971000 1.312000 
1 1 1   58    7   10 o   23.100   0.8768 0.1527000 1.754000 
1 1 1   58    7   11 o   38.340   0.6897 -3.722000 1.379000 
1 1 1   58    7   12 o   30.840   0.7560 1.085000 1.512000 
1 1 1   58    7   13 o   18.600   1.1220 0.3590000E-01 2.243000 
1 1 1   58    7   14 o   32.500   0.7426 -1.950000 1.485000 
1 1 1   58    7   15 o   7.6150   2.0360 -0.1128000 4.071000 
1 1 1   58    7   16 o   25.580   0.9310 -1.687000 1.862000 
1 1 1   58    7   17 o   31.650   0.8237 -3.379000 1.647000 
1 1 1   58    7   18 o   20.780   1.1230 1.076000 2.246000 
1 1 1   58    7   19 o   22.470   1.0960 0.8408000 2.193000 
1 1 1   58    7   20 o   29.580   0.9035 -1.843000 1.807000 
1 1 1   58    7   21 o   11.480   2.0530 5.047000 4.105000 
1 1 1   58    7   22 o   14.140   1.8610 -4.705000 3.723000 
1 1 1   58    7   23 o   7.6530   2.1370 -0.9635000 4.275000 
1 1 1   58    7   24 o   12.430   1.9480 6.414000 3.896000 
1 1 1   58    7   25 o   12.590   1.9070 6.832000 3.814000 
1 1 1   58    7   26 o   7.6700   2.0600 -1.802000 4.119000 
1 1 1   58    7   27 o   13.640   1.6180 -4.757000 3.237000 
1 1 1   58    7   28 o   8.1450   2.0170 -2.055000 4.034000 
1 1 1   58    8    0 o   34.420   0.9691 -0.000000 0.000000 
1 1 1   58    8    1 o   71.890   0.8214 0.2922000 1.643000 
1 1 1   58    8    2 o   37.390   0.6849 -2.651000 1.370000 
1 1 1   58    8    3 o   19.310   1.0290 0.4755000 2.057000 
1 1 1   58    8    4 o   26.280   1.1480      ?      ? 
1 1 1   58    8    5 o   7.9360   1.8510 -3.353000 3.702000 
1 1 1   58    8    6 o   43.490   0.6694 0.8148000 1.339000 
1 1 1   58    8    7 o   29.620   0.7450 1.956000 1.490000 
1 1 1   58    8    8 o   56.680   0.7172 2.398000 1.434000 
1 1 1   58    8    9 o   34.910   0.7102 1.865000 1.420000 
1 1 1   58    8   10 o   51.120   0.6939 0.8729000 1.388000 
1 1 1   58    8   11 o   28.520   0.8080 -3.195000 1.616000 
1 1 1   58    8   12 o   5.7880   1.7960 -1.307000 3.591000 
1 1 1   58    8   13 o   11.010   1.9470 0.3822000 3.894000 
1 1 1   58    8   14 o   45.560   0.7178 -0.1612000 1.436000 
1 1 1   58    8   15 o   10.760   2.0610 3.473000 4.122000 
1 1 1   58    8   16 o   22.430   1.0850 -3.277000 2.171000 
1 1 1   58    8   17 o   30.070   0.8799 1.509000 1.760000 
1 1 1   58    8   18 o   38.530   0.7772 -3.312000 1.554000 
1 1 1   58    8   19 o   24.350   1.0850 -0.9036000 2.169000 
1 1 1   58    8   20 o   7.7130   2.1720 -0.2917000E-01 4.344000 
1 1 1   58    8   21 o   13.910   1.9360 -3.260000 3.873000 
1 1 1   58    8   22 o   8.3920   2.2250 -1.187000 4.451000 
1 1 1   58    8   23 o   17.790   1.3780 -0.2230000 2.756000 
1 1 1   58    8   24 o   11.480   2.0610 0.8304000 4.123000 
1 1 1   58    8   25 o   8.8380   2.0610 2.965000 4.122000 
1 1 1   58    8   26 o   10.590   1.8280 6.167000 3.656000 
1 1 1   58    8   27 o   6.7930   1.9850 -1.899000 3.970000 
1 1 1   58    8   28 o   12.500   2.1240 -4.574000 4.248000 
1 1 1   58    9    0 o   9.2580   2.8180 -0.000000 0.000000 
1 1 1   58    9    1 o   15.880   1.3350 3.852000 2.670000 
1 1 1   58    9    2 o   6.5000   1.8290 -2.517000 3.657000 
1 1 1   58    9    3 o   45.770   0.6839 -0.5105000 1.368000 
1 1 1   58    9    4 o   35.290   0.7237 -0.6552000 1.447000 
1 1 1   58    9    5 o   30.570   0.7587 -3.553000 1.517000 
1 1 1   58    9    6 o   10.960   1.8610 -0.2656000 3.722000 
1 1 1   58    9    7 o   26.120   0.8834 -1.285000 1.767000 
1 1 1   58    9    8 o   35.370   0.7350 2.929000 1.470000 
1 1 1   58    9    9 o   22.340   0.9712 0.8856000 1.942000 
1 1 1   58    9   10 o   27.590   0.8700 3.862000 1.740000 
1 1 1   58    9   11 o   39.450   0.7356 3.189000 1.471000 
1 1 1   58    9   12 o   7.7730   2.0740 -0.1958000 4.147000 
1 1 1   58    9   13 o   40.120   0.7504 -2.433000 1.501000 
1 1 1   58    9   14 o   28.070   0.9315 0.2331000 1.863000 
1 1 1   58    9   15 f   23.530   1.6060      ?      ? 
1 1 1   58    9   16 o   14.680   1.7640 1.792000 3.527000 
1 1 1   58    9   17 o   13.740   1.9150 -0.6475000 3.830000 
1 1 1   58    9   18 f   29.410   0.9740 -3.680000 1.948000 
1 1 1   58    9   19 o   10.140   2.2730 1.824000 4.547000 
1 1 1   58    9   20 o   9.6200   3.1710      ?      ? 
1 1 1   58    9   21 o   10.180   2.1570 -2.989000 4.313000 
1 1 1   58    9   22 o   9.1460   2.1910 1.267000 4.383000 
1 1 1   58    9   23 f   12.980   1.9470 -0.8556000 3.894000 
1 1 1   58    9   24 o   9.1220   2.0930 3.857000 4.185000 
1 1 1   58    9   25 o   7.1730   2.0750 -1.493000 4.150000 
1 1 1   58    9   26 o   8.2660   2.1250 -0.1985000 4.249000 
1 1 1   58    9   27 o   9.1160   2.1050 1.841000 4.210000 
1 1 1   58   10    0 o   6.7370   2.7280 -0.000000 0.000000 
1 1 1   58   10    1 o   30.910   0.7902 -1.306000 1.580000 
1 1 1   58   10    2 o   13.560   1.6230 -0.6255000 3.247000 
1 1 1   58   10    3 o   7.5250   2.0400 1.736000 4.081000 
1 1 1   58   10    4 o   13.750   1.7040 -1.331000 3.409000 
1 1 1   58   10    5 o   29.290   0.8318 0.7197000 1.664000 
1 1 1   58   10    6 o   13.040   1.7260 -1.456000 3.452000 
1 1 1   58   10    7 o   24.160   1.0040 -0.1137000E-01 2.007000 
1 1 1   58   10    8 o   28.700   0.8994 -4.430000 1.799000 
1 1 1   58   10    9 o   13.160   1.8300 -3.896000 3.660000 
1 1 1   58   10   10 o   31.950   0.8273 -0.8389000 1.655000 
1 1 1   58   10   11 o   25.910   1.0070 -1.238000 2.013000 
1 1 1   58   10   12 o   28.230   0.9428 -0.5785000 1.886000 
1 1 1   58   10   13 o   20.060   1.2850 1.158000 2.569000 
1 1 1   58   10   14 o   33.390   0.8777 -3.107000 1.755000 
1 1 1   58   10   15 o   36.080   0.8428 -1.915000 1.686000 
1 1 1   58   10   16 f   19.840   1.3860 -2.450000 2.771000 
1 1 1   58   10   17 o   14.020   1.9530 2.151000 3.905000 
1 1 1   58   10   18 o   16.500   1.7950 6.771000 3.591000 
1 1 1   58   10   19 o   13.640   1.9180 3.180000 3.836000 
1 1 1   58   10   20 o   8.2440   2.1510 2.312000 4.302000 
1 1 1   58   10   21 o   11.070   2.1920 -2.134000 4.385000 
1 1 1   58   10   22 o   8.5880   2.1130 -4.053000 4.225000 
1 1 1   58   10   23 o   9.2230   2.2090 -1.094000 4.418000 
1 1 1   58   10   24 o   15.640   1.6690 -6.663000 3.337000 
1 1 1   58   10   25 o   7.8110   2.1460 0.1958000 4.293000 
1 1 1   58   10   26 o   6.3010   1.9580 -1.853000 3.916000 
1 1 1   58   11    0 o   20.230   1.6550 -0.000000 0.000000 
1 1 1   58   11    1 o   23.880   1.0020 1.180000 2.003000 
1 1 1   58   11    2 o   17.420   1.3820 3.060000 2.763000 
1 1 1   58   11    3 o   40.820   0.7572 0.8536000 1.514000 
1 1 1   58   11    4 o   17.290   1.4250 -1.197000 2.851000 
1 1 1   58   11    5 o   8.8780   2.0350 4.840000 4.069000 
1 1 1   58   11    6 f   27.300   0.9391 1.103000 1.878000 
1 1 1   58   11    7 o   24.820   1.0460 -3.041000 2.093000 
1 1 1   58   11    8 o   44.970   0.7674 -4.255000 1.535000 
1 1 1   58   11    9 o   25.870   1.0050 0.9182000 2.010000 
1 1 1   58   11   10 o   35.670   0.8274 2.053000 1.655000 
1 1 1   58   11   11 o   8.9590   2.0610 5.771000 4.122000 
1 1 1   58   11   12 o   15.230   1.7180 0.3303000 3.436000 
1 1 1   58   11   13 o   13.910   1.9840 3.372000 3.968000 
1 1 1   58   11   14 o   25.560   1.1290 -0.7713000 2.257000 
1 1 1   58   11   15 f   14.690   2.0000 0.4561000 4.000000 
1 1 1   58   11   16 o   7.7830   2.1710 -2.859000 4.342000 
1 1 1   58   11   17 o   6.4150   1.9900 -2.721000 3.981000 
1 1 1   58   11   18 o   12.120   2.1460 0.2229000 4.291000 
1 1 1   58   11   19 o   9.5980   2.2700 -2.688000 4.541000 
1 1 1   58   11   20 o   8.7350   2.2430 1.572000 4.486000 
1 1 1   58   11   21 o   11.850   2.1570 1.213000 4.314000 
1 1 1   58   11   22 o   8.0970   2.2060 -0.2550000 4.412000 
1 1 1   58   11   23 o   11.870   2.0680 1.936000 4.137000 
1 1 1   58   11   24 o   5.5350   1.7910 1.140000 3.583000 
1 1 1   58   11   25 o   9.8030   2.0430 4.490000 4.085000 
1 1 1   58   12    0 o   6.2390   2.7460 -0.000000 0.000000 
1 1 1   58   12    1 o   16.610   1.5380 2.128000 3.077000 
1 1 1   58   12    2 o   16.210   1.6100 0.6405000E-02 3.220000 
1 1 1   58   12    3 o   11.690   2.0970 4.100000 4.195000 
1 1 1   58   12    4 o   28.280   0.9751 -4.307000 1.950000 
1 1 1   58   12    5 o   37.400   0.8274 -1.690000 1.655000 
1 1 1   58   12    6 f   15.060   1.7550 0.6098000 3.510000 
1 1 1   58   12    7 o   25.550   1.0780 2.380000 2.156000 
1 1 1   58   12    8 f   22.950   1.1880 0.3617000 2.375000 
1 1 1   58   12    9 o   39.890   0.8114 -0.4249000 1.623000 
1 1 1   58   12   10 f   27.540   1.0400 -0.4117000 2.081000 
1 1 1   58   12   11 o   36.090   0.8786 1.092000 1.757000 
1 1 1   58   12   12 o   22.120   1.3070 -0.7036000 2.614000 
1 1 1   58   12   13 o   9.0070   2.2410 0.9348000 4.482000 
1 1 1   58   12   14 o   7.4850   2.1510 1.376000 4.302000 
1 1 1   58   12   15 o   8.1680   2.2510 -1.025000 4.501000 
1 1 1   58   12   16 o   21.060   1.3170 -0.6464000E-01 2.634000 
1 1 1   58   12   17 o   10.330   2.2420 -4.153000 4.484000 
1 1 1   58   12   18 o   17.350   1.6260 -3.722000 3.251000 
1 1 1   58   12   19 o   7.9990   2.1370 3.578000 4.273000 
1 1 1   58   12   20 o   16.040   1.8040 8.206000 3.608000 
1 1 1   58   12   21 o   12.310   2.0570 5.134000 4.113000 
1 1 1   58   12   22 o   8.7110   2.1030 4.357000 4.206000 
1 1 1   58   12   23 o   7.8570   2.1390 -3.563000 4.278000 
1 1 1   58   12   24 o   8.6310   2.2100 -1.053000 4.421000 
1 1 1   58   13    0 o   10.640   3.1570 -0.000000 0.000000 
1 1 1   58   13    1 o   11.850   2.1540 -4.505000 4.309000 
1 1 1   58   13    2 o   14.400   1.9730 -0.9636000 3.946000 
1 1 1   58   13    3 o   11.120   2.1810 4.767000 4.361000 
1 1 1   58   13    4 o   13.390   2.1210 -2.667000 4.242000 
1 1 1   58   13    5 o   15.270   1.8810 2.540000 3.762000 
1 1 1   58   13    6 o   12.160   2.2350 -0.8338000 4.470000 
1 1 1   58   13    7 o   15.180   1.9630 -4.452000 3.926000 
1 1 1   58   13    8 o   17.900   1.6330 -1.424000 3.265000 
1 1 1   58   13    9 o   10.290   2.2910 -3.404000 4.582000 
1 1 1   58   13   10 o   16.620   1.6300 0.5205000 3.259000 
1 1 1   58   13   11 o   5.9600   1.9500 -0.8679000 3.899000 
1 1 1   58   13   12 o   15.800   1.8940 -7.705000 3.789000 
1 1 1   58   13   13 o   11.110   2.2960 -3.350000 4.591000 
1 1 1   58   13   14 o   9.4680   2.2830 -3.985000 4.565000 
1 1 1   58   13   15 o   27.380   1.0830 -3.493000 2.166000 
1 1 1   58   13   16 o   17.060   1.7260 -4.398000 3.452000 
1 1 1   58   13   17 o   20.920   1.3400 -4.401000 2.680000 
1 1 1   58   13   18 o   10.060   2.1620 -5.793000 4.324000 
1 1 1   58   13   19 o   10.670   2.2470 -3.226000 4.494000 
1 1 1   58   13   20 o   7.4920   2.0710 3.639000 4.142000 
1 1 1   58   13   21 o   10.480   2.1240 5.154000 4.248000 
1 1 1   58   13   22 o   6.6300   2.0510 -0.1725000 4.102000 
1 1 1   58   13   23 o   14.110   1.9380 -2.961000 3.875000 
1 1 1   58   14    0 o   34.620   1.3450 -0.000000 0.000000 
1 1 1   58   14    1 o   23.850   1.2650 -1.927000 2.529000 
1 1 1   58   14    2 o   13.720   2.2090 1.985000 4.418000 
1 1 1   58   14    3 f   28.130   1.0970 1.153000 2.194000 
1 1 1   58   14    4 o   8.2600   2.3180 -1.898000 4.637000 
1 1 1   58   14    5 o   16.640   1.8310 0.4947000 3.662000 
1 1 1   58   14    6 o   5.8400   1.9140 -3.051000 3.829000 
1 1 1   58   14    7 o   8.1390   2.1910 -3.933000 4.383000 
1 1 1   58   14    8 o   22.270   1.2600 -1.218000 2.519000 
1 1 1   58   14    9 o   30.530   0.9937 2.183000 1.987000 
1 1 1   58   14   10 o   11.420   2.3320 -0.4099000 4.663000 
1 1 1   58   14   11 o   9.8080   2.3160 3.081000 4.633000 
1 1 1   58   14   12 o   19.300   1.5610 0.1846000 3.121000 
1 1 1   58   14   13 o   18.340   1.6400 -2.035000 3.280000 
1 1 1   58   14   14 o   19.160   1.5480 -0.4656000 3.097000 
1 1 1   58   14   15 o   16.050   1.8270 -3.085000 3.654000 
1 1 1   58   14   16 o   15.250   1.9310 -1.275000 3.863000 
1 1 1   58   14   17 f   9.5430   2.3530 -1.659000 4.705000 
1 1 1   58   14   18 o   7.9430   2.1910 2.583000 4.382000 
1 1 1   58   14   19 o   9.7540   2.1430 5.043000 4.287000 
1 1 1   58   14   20 o   6.9760   2.1120 -0.7462000 4.224000 
1 1 1   58   14   21 o   8.9630   2.1290 4.209000 4.259000 
1 1 1   58   14   22 o   9.3180   2.2610 -2.776000 4.523000 
1 1 1   58   15    0 o   16.060   2.9140 -0.000000 0.000000 
1 1 1   58   15    1 o   12.470   2.3440 -3.698000 4.688000 
1 1 1   58   15    2 o   22.340   1.3090 -1.678000 2.617000 
1 1 1   58   15    3 o   18.910   1.5580 -3.012000 3.115000 
1 1 1   58   15    4 o   9.7480   2.3830 -1.075000 4.766000 
1 1 1   58   15    5 o   21.240   1.4230 -4.323000 2.847000 
1 1 1   58   15    6 f   26.130   1.1700 4.571000 2.340000 
1 1 1   58   15    7 o   8.1860   2.3290 -0.1503000 4.659000 
1 1 1   58   15    8 o   16.460   1.8320 1.202000 3.664000 
1 1 1   58   15    9 o   8.1760   2.3000 -1.569000 4.600000 
1 1 1   58   15   10 o   10.020   2.4410 -1.207000 4.883000 
1 1 1   58   15   11 o   9.0800   2.3740 1.870000 4.748000 
1 1 1   58   15   12 o   10.010   2.3640 2.127000 4.729000 
1 1 1   58   15   13 o   8.5200   2.3320 -3.064000 4.664000 
1 1 1   58   15   14 f   9.0820   2.2840 3.735000 4.568000 
1 1 1   58   15   15 o   8.6120   2.3610 -0.1492000 4.721000 
1 1 1   58   15   16 o   15.230   1.9470 -3.470000 3.894000 
1 1 1   58   15   17 o   12.790   2.1880 -3.356000 4.376000 
1 1 1   58   15   18 o   9.0890   2.3190 -0.1138000E-01 4.639000 
1 1 1   58   15   19 o   11.720   2.1690 -1.941000 4.338000 
1 1 1   58   15   20 o   8.2810   2.2410 -0.9566000 4.483000 
1 1 1   58   15   21 o   6.1300   1.9520 1.275000 3.903000 
1 1 1   58   16    0 o   5.0140   2.4350 -0.000000 0.000000 
1 1 1   58   16    1 o   19.240   1.4620 0.1719000 2.925000 
1 1 1   58   16    2 o   23.240   1.2290 -1.161000 2.459000 
1 1 1   58   16    3 o   13.880   2.0290 2.232000 4.059000 
1 1 1   58   16    4 o   11.320   2.3880 -1.226000 4.776000 
1 1 1   58   16    5 o   13.000   2.2400 2.972000 4.481000 
1 1 1   58   16    6 o   7.3710   2.1320 -4.968000 4.265000 
1 1 1   58   16    7 o   14.040   2.1750 -3.689000 4.349000 
1 1 1   58   16    8 o   6.5210   2.0590 1.894000 4.119000 
1 1 1   58   16    9 f   16.650   1.8140 3.124000 3.629000 
1 1 1   58   16   10 o   12.060   2.3490 -3.350000 4.698000 
1 1 1   58   16   11 o   13.690   2.2570 -0.2795000 4.514000 
1 1 1   58   16   12 o   11.380   2.4230 1.502000 4.847000 
1 1 1   58   16   13 o   13.810   2.1890 -5.632000 4.379000 
1 1 1   58   16   14 o   11.300   2.3770 -3.364000 4.753000 
1 1 1   58   16   15 o   12.840   2.1560 6.067000 4.312000 
1 1 1   58   16   16 o   10.980   2.3280 0.1103000 4.656000 
1 1 1   58   16   17 o   8.3830   2.1940 3.011000 4.387000 
1 1 1   58   16   18 o   6.5930   2.0350 0.7837000 4.071000 
1 1 1   58   16   19 o   7.5550   1.9160 5.977000 3.832000 
1 1 1   58   17    0 o   27.000   1.5450 -0.000000 0.000000 
1 1 1   58   17    1 o   8.5820   2.3310 0.2537000 4.663000 
1 1 1   58   17    2 o   21.320   1.3650 -1.575000 2.731000 
1 1 1   58   17    3 o   10.090   2.3080 3.462000 4.617000 
1 1 1   58   17    4 o   6.8180   2.1070 -0.3317000 4.214000 
1 1 1   58   17    5 o   9.5060   2.3020 2.758000 4.603000 
1 1 1   58   17    6 o   9.0460   2.3920 -2.373000 4.784000 
1 1 1   58   17    7 o   8.3350   2.3010 -0.9746000 4.603000 
1 1 1   58   17    8 o   11.530   2.1880 4.521000 4.375000 
1 1 1   58   17    9 o   7.6590   2.1660 -2.474000 4.332000 
1 1 1   58   17   10 o   14.500   1.9770 -3.149000 3.954000 
1 1 1   58   17   11 o   16.520   1.8720 -2.605000 3.743000 
1 1 1   58   17   12 o   8.4050   2.3150 1.633000 4.629000 
1 1 1   58   17   13 o   8.9380   2.1480 5.800000 4.295000 
1 1 1   58   17   14 o   10.510   2.3710 -0.4045000 4.742000 
1 1 1   58   17   15 o   10.690   2.2370 -5.145000 4.475000 
1 1 1   58   17   16 o   6.1260   1.9720 -1.954000 3.944000 
1 1 1   58   17   17 o   9.0470   2.2870 -0.3489000 4.574000 
1 1 1   58   18    0 o   7.7000   3.1820 -0.000000 0.000000 
1 1 1   58   18    1 o   13.030   2.2330 0.8860000 4.465000 
1 1 1   58   18    2 o   15.030   1.9650 0.7764000 3.930000 
1 1 1   58   18    3 o   19.240   1.5340 1.952000 3.067000 
1 1 1   58   18    4 o   6.2980   2.0330 -0.7150000 4.066000 
1 1 1   58   18    5 f   5.8180   1.9180 -1.709000 3.835000 
1 1 1   58   18    6 o   9.0220   2.3100 -2.803000 4.620000 
1 1 1   58   18    7 o   11.850   2.2670 2.067000 4.533000 
1 1 1   58   18    8 o   7.1060   2.1610 0.2997000E-01 4.321000 
1 1 1   58   18    9 o   12.610   2.0120 -7.642000 4.024000 
1 1 1   58   18   10 o   9.9980   2.3240 -0.1418000 4.648000 
1 1 1   58   18   11 o   7.6640   2.1420 -3.140000 4.285000 
1 1 1   58   18   12 o   11.060   2.2850 -0.5798000 4.570000 
1 1 1   58   18   13 o   12.470   2.0880 3.996000 4.176000 
1 1 1   58   18   14 o   7.2390   2.1180 -0.6812000 4.236000 
1 1 1   58   18   15 o   6.8030   2.0570 -0.6380000 4.114000 
1 1 1   58   19    0 o   12.080   3.1990 -0.000000 0.000000 
1 1 1   58   19    1 o   7.2180   2.1590 1.396000 4.319000 
1 1 1   58   19    2 o   10.720   2.3370 2.351000 4.674000 
1 1 1   58   19    3 o   9.0320   2.3470 0.9420000 4.694000 
1 1 1   58   19    4 o   9.8820   2.3550 0.8176000 4.710000 
1 1 1   58   19    5 f   10.230   2.3330 0.8087000 4.665000 
1 1 1   58   19    6 o   9.7700   2.3400 -0.1494000 4.680000 
1 1 1   58   19    7 o   8.6950   2.2850 -0.6299000 4.570000 
1 1 1   58   19    8 o   9.7300   2.3270 0.9524000 4.653000 
1 1 1   58   19    9 f   7.7220   2.1480 -3.027000 4.295000 
1 1 1   58   19   10 o   7.6480   2.1010 4.251000 4.201000 
1 1 1   58   19   11 o   8.3000   2.0110 6.324000 4.022000 
1 1 1   58   19   12 o   7.5870   2.0970 -3.550000 4.195000 
1 1 1   58   20    0 o   6.5170   2.9230 -0.000000 0.000000 
1 1 1   58   20    1 o   8.3010   2.1630 4.619000 4.326000 
1 1 1   58   20    2 o   9.2720   2.3440 -0.2488000 4.687000 
1 1 1   58   20    3 o   11.180   2.2140 4.791000 4.428000 
1 1 1   58   20    4 o   10.190   2.3200 1.112000 4.641000 
1 1 1   58   20    5 o   7.5010   2.1840 0.9049000 4.368000 
1 1 1   58   20    6 o   6.8100   2.0680 1.641000 4.136000 
1 1 1   58   20    7 f   8.5100   2.0730 4.926000 4.146000 
1 1 1   58   20    8 o   7.6430   2.1200 -3.338000 4.240000 
1 1 1   58   20    9 o   7.8960   2.2300 -0.3040000 4.461000 
1 1 1   58   21    0 o   6.6170   3.1640 -0.000000 0.000000 
1 1 1   58   21    1 o   12.390   3.3520 0.6776000 6.703000 
1 1 1   59    0    1 o   34.790   0.9136 -0.000000 0.000000 
1 1 1   59    0    2 o   23.700   1.0830 -0.000000 0.000000 
1 1 1   59    0    3 o   13.640   1.9160 -0.000000 0.000000 
1 1 1   59    0    4 o   13.100   1.8670 -0.000000 0.000000 
1 1 1   59    0    5 o   9.3140   2.5020 -0.000000 0.000000 
1 1 1   59    0    6 o   24.690   1.0810 -0.000000 0.000000 
1 1 1   59    0    7 o   8.9650   2.5760 -0.000000 0.000000 
1 1 1   59    0    8 o   70.130   1.1220 -0.000000 0.000000 
1 1 1   59    0    9 o   7.6370   2.6660 -0.000000 0.000000 
1 1 1   59    0   10 o   30.000   1.0220 -0.000000 0.000000 
1 1 1   59    0   11 o   27.700   1.0470 -0.000000 0.000000 
1 1 1   59    0   12 o   9.9510   2.5500 -0.000000 0.000000 
1 1 1   59    0   13 o   17.410   1.5370 -0.000000 0.000000 
1 1 1   59    0   14 f   20.220   1.4710 -0.000000 0.000000 
1 1 1   59    0   15 o   29.360   1.0710 -0.000000 0.000000 
1 1 1   59    0   16 o   30.160   1.1050 -0.000000 0.000000 
1 1 1   59    0   17 o   14.550   1.9940 -0.000000 0.000000 
1 1 1   59    0   18 o   29.380   1.1140 -0.000000 0.000000 
1 1 1   59    0   19 o   7.4220   2.8420 -0.000000 0.000000 
1 1 1   59    0   20 o   8.7690   2.9190 -0.000000 0.000000 
1 1 1   59    0   21 o   21.740   1.5160 -0.000000 0.000000 
1 1 1   59    0   22 o   37.500   1.0650 -0.000000 0.000000 
1 1 1   59    0   23 o   4.3560   2.1300 -0.000000 0.000000 
1 1 1   59    0   24 o   24.480   1.3940 -0.000000 0.000000 
1 1 1   59    0   25 o   7.6860   2.9360 -0.000000 0.000000 
1 1 1   59    0   26 o   5.3310   2.4650 -0.000000 0.000000 
1 1 1   59    0   27 o   5.9740   2.6290 -0.000000 0.000000 
1 1 1   59    0   28 o   15.930   1.8510 -0.000000 0.000000 
1 1 1   59    0   29 o   8.2040   2.7480 -0.000000 0.000000 
1 1 1   59    0   30 o   6.1960   2.5470 -0.000000 0.000000 
1 1 1   59    1    0 o   10.370   1.7930 -0.000000 0.000000 
1 1 1   59    1    1 o   35.440   0.5072 2.263000 1.014000 
1 1 1   59    1    2 o   24.210   0.5831 -0.9908000 1.166000 
1 1 1   59    1    3 o   13.730   1.0130 4.343000 2.026000 
1 1 1   59    1    4 o   24.720   0.5850 0.6290000 1.170000 
1 1 1   59    1    5 o   39.580   0.4994 3.621000 0.9988000 
1 1 1   59    1    6 o   23.770   0.6105 3.091000 1.221000 
1 1 1   59    1    7 o   59.690   0.5760 0.8783000 1.152000 
1 1 1   59    1    8 f   31.710   0.5220 1.128000 1.044000 
1 1 1   59    1    9 o   35.340   0.5138 -2.585000 1.028000 
1 1 1   59    1   10 o   9.8860   1.5670 -3.593000 3.135000 
1 1 1   59    1   11 o   35.490   0.5963 2.584000 1.193000 
1 1 1   59    1   12 o   15.870   1.0640 3.199000 2.128000 
1 1 1   59    1   13 o   42.500   0.5854 -0.2371000 1.171000 
1 1 1   59    1   14 o   27.680   0.6819 -0.5141000 1.364000 
1 1 1   59    1   15 o   13.350   1.3490 -1.082000 2.698000 
1 1 1   59    1   16 o   37.880   0.6134 -1.804000 1.227000 
1 1 1   59    1   17 o   42.440   0.6835 -0.2775000 1.367000 
1 1 1   59    1   18 o   16.730   1.2800 1.565000 2.559000 
1 1 1   59    1   19 o   14.980   1.4630 1.801000 2.927000 
1 1 1   59    1   20 o   10.770   1.9210 -5.059000 3.841000 
1 1 1   59    1   21 o   23.420   0.9992 0.2660000 1.998000 
1 1 1   59    1   22 o   19.790   1.2170 2.902000 2.434000 
1 1 1   59    1   23 o   7.0480   2.0070 -1.634000 4.013000 
1 1 1   59    1   24 o   7.2380   1.9310 -3.972000 3.862000 
1 1 1   59    1   25 o   11.660   1.8760 -4.554000 3.753000 
1 1 1   59    1   26 o   20.200   1.1300 -2.848000 2.261000 
1 1 1   59    1   27 o   18.830   1.1870 -2.742000 2.375000 
1 1 1   59    1   28 o   16.100   1.3180 -3.676000 2.636000 
1 1 1   59    1   29 o   9.9630   1.8920 1.642000 3.784000 
1 1 1   59    1   30 o   8.0900   2.0070 1.641000 4.014000 
1 1 1   59    2    0 o   30.750   0.7308 -0.000000 0.000000 
1 1 1   59    2    1 o   39.130   0.5468 1.702000 1.094000 
1 1 1   59    2    2 o   9.5000   1.9940      ?      ? 
1 1 1   59    2    3 o   49.640   0.5801 -0.7259000 1.160000 
1 1 1   59    2    4 o   22.790   0.6866 -1.093000 1.373000 
1 1 1   59    2    5 o   48.310   0.5728 0.6151000E-01 1.146000 
1 1 1   59    2    6 o   33.730   0.5525 3.587000 1.105000 
1 1 1   59    2    7 o   16.380   0.8259 0.3127000 1.652000 
1 1 1   59    2    8 o   17.640   0.7926 -4.338000 1.585000 
1 1 1   59    2    9 o   20.000   0.7144 2.406000 1.429000 
1 1 1   59    2   10 o   36.770   0.5197 3.495000 1.039000 
1 1 1   59    2   11 o   19.580   0.7507 1.374000 1.501000 
1 1 1   59    2   12 o   32.380   0.5456 5.522000 1.091000 
1 1 1   59    2   13 o   50.700   0.5426 0.8668000 1.085000 
1 1 1   59    2   14 o   23.080   0.6883 1.272000 1.377000 
1 1 1   59    2   15 o   18.030   0.8694 -0.5098000 1.739000 
1 1 1   59    2   16 o   24.250   0.7014 -2.864000 1.403000 
1 1 1   59    2   17 f   29.500   0.6197 -0.3888000 1.239000 
1 1 1   59    2   18 o   21.790   0.7837 -2.208000 1.567000 
1 1 1   59    2   19 o   18.580   1.0550 -0.6625000 2.109000 
1 1 1   59    2   20 f   29.010   0.7423 2.743000 1.485000 
1 1 1   59    2   21 o   22.130   0.9425 0.9981000 1.885000 
1 1 1   59    2   22 o   9.3090   1.8050 -6.719000 3.610000 
1 1 1   59    2   23 o   19.250   1.0530 -1.411000 2.106000 
1 1 1   59    2   24 o   10.120   1.8280 -4.533000 3.657000 
1 1 1   59    2   25 o   8.0360   1.9080 -0.7718000 3.815000 
1 1 1   59    2   26 o   5.0590   1.6860 1.538000 3.371000 
1 1 1   59    2   27 o   10.960   1.9310 0.6924000 3.861000 
1 1 1   59    2   28 o   5.9330   1.7850 2.281000 3.570000 
1 1 1   59    2   29 o   12.000   1.6670 2.465000 3.334000 
1 1 1   59    3    0 o   67.390   1.0790 -0.000000 0.000000 
1 1 1   59    3    1 o   13.600   1.1870 -0.8051000E-01 2.374000 
1 1 1   59    3    2 f   32.950   0.6094 -3.305000 1.219000 
1 1 1   59    3    3 o   45.170   0.6148 -2.266000 1.230000 
1 1 1   59    3    4 o   30.550   0.6366 4.463000 1.273000 
1 1 1   59    3    5 o   24.180   0.7063 -0.7760000 1.413000 
1 1 1   59    3    6 o   77.640   0.8533 -0.3705000 1.707000 
1 1 1   59    3    7 o   48.970   0.6335 -3.007000 1.267000 
1 1 1   59    3    8 o   30.000   0.6480 1.456000 1.296000 
1 1 1   59    3    9 o   45.190   0.6229 -0.8804000 1.246000 
1 1 1   59    3   10 o   21.960   0.8044 1.245000 1.609000 
1 1 1   59    3   11 o   34.720   0.6338 0.7965000 1.268000 
1 1 1   59    3   12 o   37.830   0.6341 -1.103000 1.268000 
1 1 1   59    3   13 o   10.290   1.5270 8.110000 3.053000 
1 1 1   59    3   14 f   26.340   0.7658 -2.722000 1.532000 
1 1 1   59    3   15 o   5.0970   1.6140 -0.6299000 3.227000 
1 1 1   59    3   16 o   44.690   0.6058 3.351000 1.212000 
1 1 1   59    3   17 o   25.330   0.7456 -0.7512000 1.491000 
1 1 1   59    3   18 o   26.430   0.7565 1.204000 1.513000 
1 1 1   59    3   19 o   11.400   1.6920 -1.181000 3.385000 
1 1 1   59    3   20 o   10.210   1.7970 -4.966000 3.594000 
1 1 1   59    3   21 o   12.900   1.6250 2.295000 3.251000 
1 1 1   59    3   22 o   25.120   0.7820 1.245000 1.564000 
1 1 1   59    3   23 o   10.470   1.7650 -3.178000 3.531000 
1 1 1   59    3   24 o   14.140   1.3600 -1.351000 2.720000 
1 1 1   59    3   25 o   14.210   1.4260 -1.454000 2.851000 
1 1 1   59    3   26 o   8.5410   1.7710 4.088000 3.542000 
1 1 1   59    3   27 o   7.3680   1.8320 1.563000 3.663000 
1 1 1   59    3   28 o   11.890   1.5530 3.244000 3.106000 
1 1 1   59    3   29 o   4.6050   1.5200 -1.552000 3.039000 
1 1 1   59    4    0 o   44.720   0.8724 -0.000000 0.000000 
1 1 1   59    4    1 o   62.480   0.7240 6.678000 1.448000 
1 1 1   59    4    2 o   60.030   0.7065 -2.898000 1.413000 
1 1 1   59    4    3 o   22.020   0.7865 0.8615000 1.573000 
1 1 1   59    4    4 o   42.930   0.6114 4.374000 1.223000 
1 1 1   59    4    5 o   22.440   0.7644 -0.9607000 1.529000 
1 1 1   59    4    6 o   40.370   0.6179 1.585000 1.236000 
1 1 1   59    4    7 o   35.130   0.6207 -3.370000 1.241000 
1 1 1   59    4    8 o   37.680   0.6134 -3.880000 1.227000 
1 1 1   59    4    9 o   7.7780   1.7120 -3.398000 3.424000 
1 1 1   59    4   10 f   20.950   0.8864 -6.608000 1.773000 
1 1 1   59    4   11 o   37.820   0.6358 -5.853000 1.272000 
1 1 1   59    4   12 o   14.650   1.2600 3.469000 2.520000 
1 1 1   59    4   13 o   17.500   1.1010 4.712000 2.201000 
1 1 1   59    4   14 o   32.970   0.6810 -1.869000 1.362000 
1 1 1   59    4   15 o   66.410   0.7755 0.5781000 1.551000 
1 1 1   59    4   16 o   43.620   0.6658 0.2253000 1.332000 
1 1 1   59    4   17 o   26.580   0.8142 2.796000 1.628000 
1 1 1   59    4   18 o   32.410   0.7426 -2.578000 1.485000 
1 1 1   59    4   19 o   20.060   1.0810 -0.5620000 2.162000 
1 1 1   59    4   20 o   6.3300   2.6580      ?      ? 
1 1 1   59    4   21 o   10.280   1.9840 -2.842000 3.968000 
1 1 1   59    4   22 o   25.530   0.8735 1.655000 1.747000 
1 1 1   59    4   23 o   7.4690   1.9920 -2.277000 3.984000 
1 1 1   59    4   24 o   9.6490   1.9100 2.258000 3.819000 
1 1 1   59    4   25 o   16.250   1.2860 -4.028000 2.572000 
1 1 1   59    4   26 o   7.2100   1.8390 -5.890000 3.679000 
1 1 1   59    4   27 o   9.6890   1.8790 -3.601000 3.758000 
1 1 1   59    4   28 o   11.310   1.6710 3.045000 3.342000 
1 1 1   59    4   29 o   7.1840   1.7110 2.629000 3.422000 
1 1 1   59    5    0 o   25.860   1.0070 -0.000000 0.000000 
1 1 1   59    5    1 o   55.150   0.6788 -1.572000 1.358000 
1 1 1   59    5    2 o   19.660   0.9164 -5.384000 1.833000 
1 1 1   59    5    3 o   40.600   0.6206 -1.730000 1.241000 
1 1 1   59    5    4 o   29.850   0.6624 0.4664000 1.325000 
1 1 1   59    5    5 o   6.3500   1.7460 1.020000 3.493000 
1 1 1   59    5    6 o   22.770   0.7932 -0.1431000 1.586000 
1 1 1   59    5    7 o   51.540   0.6568 -0.2996000 1.314000 
1 1 1   59    5    8 o   29.680   0.6730 -4.721000 1.346000 
1 1 1   59    5    9 o   25.550   0.7327 -1.128000 1.465000 
1 1 1   59    5   10 o   27.980   0.7234 2.124000 1.447000 
1 1 1   59    5   11 o   13.460   1.3800 1.180000 2.760000 
1 1 1   59    5   12 o   15.210   1.2140 0.2118000E-01 2.428000 
1 1 1   59    5   13 o   21.830   0.9256 -0.3342000 1.851000 
1 1 1   59    5   14 o   53.440   0.7014 0.3106000E-01 1.403000 
1 1 1   59    5   15 f   45.690   0.6839 0.6565000 1.368000 
1 1 1   59    5   16 o   39.710   0.7010 4.400000 1.402000 
1 1 1   59    5   17 o   20.400   1.0360 -0.7461000 2.072000 
1 1 1   59    5   18 o   18.120   1.2030 -0.5185000E-01 2.406000 
1 1 1   59    5   19 o   12.070   1.8790 1.797000 3.758000 
1 1 1   59    5   20 o   23.860   0.9854 -1.339000 1.971000 
1 1 1   59    5   21 o   20.270   1.1860 3.453000 2.371000 
1 1 1   59    5   22 o   14.080   1.7270 -3.357000 3.455000 
1 1 1   59    5   23 o   11.680   1.9440 4.399000 3.887000 
1 1 1   59    5   24 o   28.560   0.8805 0.6352000 1.761000 
1 1 1   59    5   25 o   6.8260   1.8790 3.569000 3.757000 
1 1 1   59    5   26 o   7.2360   2.0270 -1.178000 4.053000 
1 1 1   59    5   27 o   17.150   1.3220 4.082000 2.644000 
1 1 1   59    5   28 o   11.060   2.1740      ?      ? 
1 1 1   59    5   29 o   9.0540   1.7680 3.635000 3.536000 
1 1 1   59    6    0 o   53.010   0.9438 -0.000000 0.000000 
1 1 1   59    6    1 o   41.220   0.6278 -2.667000 1.256000 
1 1 1   59    6    2 o   39.220   0.6293 -0.4450000 1.259000 
1 1 1   59    6    3 o   39.450   0.6294 -0.3212000 1.259000 
1 1 1   59    6    4 o   21.450   0.8552 -3.901000 1.710000 
1 1 1   59    6    5 o   36.320   0.6430 2.484000 1.286000 
1 1 1   59    6    6 o   33.580   0.6584 2.503000 1.317000 
1 1 1   59    6    7 o   33.160   0.6615 -3.301000 1.323000 
1 1 1   59    6    8 o   46.860   0.6505 1.817000 1.301000 
1 1 1   59    6    9 o   19.910   0.9440 0.7040000 1.888000 
1 1 1   59    6   10 o   30.760   0.7038 -0.4361000 1.408000 
1 1 1   59    6   11 o   19.960   0.9708 0.3809000E-01 1.942000 
1 1 1   59    6   12 o   44.530   0.6689 -1.307000 1.338000 
1 1 1   59    6   13 o   16.240   1.2930 4.301000 2.585000 
1 1 1   59    6   14 o   15.350   1.3330 -2.372000 2.666000 
1 1 1   59    6   15 o   20.480   1.0730 0.7179000 2.146000 
1 1 1   59    6   16 o   32.610   0.7647 -3.290000 1.529000 
1 1 1   59    6   17 o   33.400   0.7594 -2.399000 1.519000 
1 1 1   59    6   18 o   29.600   0.8275 -2.100000 1.655000 
1 1 1   59    6   19 o   12.860   1.8180 -0.4254000 3.636000 
1 1 1   59    6   20 o   40.000   0.7436 -1.049000 1.487000 
1 1 1   59    6   21 o   18.740   1.3130 -2.613000 2.626000 
1 1 1   59    6   22 o   14.900   1.6620 -0.5879000 3.325000 
1 1 1   59    6   23 o   8.6760   2.0910 -4.255000 4.182000 
1 1 1   59    6   24 o   10.230   1.9330 -7.516000 3.866000 
1 1 1   59    6   25 o   12.900   1.8610 -0.2134000 3.723000 
1 1 1   59    6   26 o   14.570   1.6150 2.650000 3.230000 
1 1 1   59    6   27 o   9.4050   1.8910 -6.256000 3.782000 
1 1 1   59    6   28 o   12.270   1.7170 5.053000 3.434000 
1 1 1   59    7    0 o   8.8350   2.6620 -0.000000 0.000000 
1 1 1   59    7    1 o   35.130   0.6739 -3.787000 1.348000 
1 1 1   59    7    2 f   45.900   0.6541 0.9874000E-01 1.308000 
1 1 1   59    7    3 o   40.080   0.6535 -1.099000 1.307000 
1 1 1   59    7    4 o   41.460   0.6462 -3.221000 1.292000 
1 1 1   59    7    5 o   26.190   0.7676 -0.6781000 1.535000 
1 1 1   59    7    6 o   8.6480   1.8800 1.516000 3.761000 
1 1 1   59    7    7 o   12.170   1.5810 0.8115000 3.161000 
1 1 1   59    7    8 o   58.640   0.7213 1.151000 1.443000 
1 1 1   59    7    9 o   35.400   0.6678 1.480000 1.336000 
1 1 1   59    7   10 o   37.050   0.6898 -0.1525000 1.380000 
1 1 1   59    7   11 o   9.7670   1.9240 3.929000 3.848000 
1 1 1   59    7   12 o   6.0860   1.8090 2.348000 3.618000 
1 1 1   59    7   13 o   15.590   1.3710 -1.269000 2.741000 
1 1 1   59    7   14 o   13.290   1.7000 -6.065000 3.400000 
1 1 1   59    7   15 o   12.660   1.7690 -7.838000 3.538000 
1 1 1   59    7   16 o   7.1130   2.0200 -0.2169000 4.039000 
1 1 1   59    7   17 o   7.8980   2.9830      ?      ? 
1 1 1   59    7   18 o   16.160   1.4900 1.830000 2.980000 
1 1 1   59    7   19 o   9.6790   2.1770 -1.344000 4.353000 
1 1 1   59    7   20 o   15.300   1.6570 -0.2578000 3.315000 
1 1 1   59    7   21 o   28.920   0.9571 -3.022000 1.914000 
1 1 1   59    7   22 o   19.850   1.3110 1.263000 2.623000 
1 1 1   59    7   23 o   17.750   1.9440      ?      ? 
1 1 1   59    7   24 o   19.890   1.2980 1.906000 2.596000 
1 1 1   59    7   25 o   14.220   1.7850 -0.3237000 3.571000 
1 1 1   59    7   26 o   16.470   1.4140 1.354000 2.827000 
1 1 1   59    7   27 o   6.8580   1.9500 -3.237000 3.899000 
1 1 1   59    7   28 o   8.4250   2.0210 -0.4299000 4.042000 
1 1 1   59    8    0 o   21.360   1.3260 -0.000000 0.000000 
1 1 1   59    8    1 o   22.100   0.9229 0.1800000 1.846000 
1 1 1   59    8    2 o   31.110   0.7363 -1.982000 1.473000 
1 1 1   59    8    3 o   28.510   0.7693 1.603000 1.539000 
1 1 1   59    8    4 o   55.470   0.7084 1.033000 1.417000 
1 1 1   59    8    5 o   19.320   1.0760 -5.216000 2.151000 
1 1 1   59    8    6 o   36.710   0.6820 -3.648000 1.364000 
1 1 1   59    8    7 o   17.740   1.1440 2.290000 2.288000 
1 1 1   59    8    8 f   41.080   0.6768 2.781000 1.354000 
1 1 1   59    8    9 o   20.720   1.0120 -0.5069000 2.024000 
1 1 1   59    8   10 o   21.630   0.9921 1.303000 1.984000 
1 1 1   59    8   11 o   10.390   1.8850 4.133000 3.770000 
1 1 1   59    8   12 o   39.160   0.7241 -1.671000 1.448000 
1 1 1   59    8   13 o   35.260   0.7633 1.119000 1.527000 
1 1 1   59    8   14 f   25.320   0.9522 -1.991000 1.904000 
1 1 1   59    8   15 o   21.180   1.1540 2.481000 2.309000 
1 1 1   59    8   16 o   36.100   0.7983 -1.728000 1.597000 
1 1 1   59    8   17 o   16.930   1.5270 -4.115000 3.053000 
1 1 1   59    8   18 o   17.950   1.4520 1.513000 2.903000 
1 1 1   59    8   19 o   27.930   0.9812 0.6729000 1.962000 
1 1 1   59    8   20 o   19.850   1.3280 -2.698000 2.655000 
1 1 1   59    8   21 o   10.800   2.2650 0.3079000 4.529000 
1 1 1   59    8   22 o   23.660   1.1260 0.8200000 2.251000 
1 1 1   59    8   23 f   19.860   1.3280 -0.6060000 2.656000 
1 1 1   59    8   24 o   27.930   0.9268 -0.8230000 1.854000 
1 1 1   59    8   25 o   6.5660   1.9850 -0.3413000 3.969000 
1 1 1   59    8   26 o   12.540   1.8120 -3.450000 3.623000 
1 1 1   59    8   27 o   9.1980   2.1060 -2.984000 4.211000 
1 1 1   59    9    1 o   56.260   0.7167 3.307000 1.433000 
1 1 1   59    9    2 o   50.560   0.6992 1.922000 1.398000 
1 1 1   59    9    3 o   36.190   0.7252 2.820000 1.450000 
1 1 1   59    9    4 o   17.590   1.2130 4.785000 2.425000 
1 1 1   59    9    5 o   8.8440   2.0250 0.6927000E-01 4.049000 
1 1 1   59    9    6 o   28.500   0.8102 1.900000 1.620000 
1 1 1   59    9    7 o   52.910   0.7169 0.7462000 1.434000 
1 1 1   59    9    8 o   21.380   1.0630 -5.627000 2.126000 
1 1 1   59    9    9 o   31.960   0.7832 2.051000 1.566000 
1 1 1   59    9   10 o   7.1970   1.9500 -2.936000 3.900000 
1 1 1   59    9   11 o   26.980   0.9224 -2.719000 1.845000 
1 1 1   59    9   12 o   18.170   1.3200 3.908000 2.640000 
1 1 1   59    9   13 o   26.160   0.9853 -0.6491000 1.971000 
1 1 1   59    9   14 o   32.030   0.8691 -1.188000 1.738000 
1 1 1   59    9   15 o   22.130   1.1960 -2.529000 2.393000 
1 1 1   59    9   16 o   6.6490   1.9960 2.901000 3.991000 
1 1 1   59    9   17 o   25.790   1.0530 -2.045000 2.106000 
1 1 1   59    9   18 o   37.510   0.8206 0.4882000 1.641000 
1 1 1   59    9   19 o   11.290   2.2480 -1.155000 4.495000 
1 1 1   59    9   20 o   10.300   2.2630 3.416000 4.525000 
1 1 1   59    9   21 o   21.060   1.3230 2.295000 2.645000 
1 1 1   59    9   22 o   21.580   1.1880 0.6217000 2.376000 
1 1 1   59    9   23 o   19.610   1.2680 -1.827000 2.535000 
1 1 1   59    9   24 o   7.7620   2.1760 -0.4972000 4.352000 
1 1 1   59    9   25 o   5.4790   1.7600 2.168000 3.520000 
1 1 1   59    9   26 o   13.520   1.8050 0.6555000 3.610000 
1 1 1   59    9   27 o   7.5640   2.1100 -0.5938000 4.219000 
1 1 1   59   10    0 o   29.520   1.1250 -0.000000 0.000000 
1 1 1   59   10    1 o   21.580   1.0350 -0.2536000 2.070000 
1 1 1   59   10    2 o   10.690   1.9580 3.328000 3.917000 
1 1 1   59   10    3 o   12.940   1.7410 -1.547000 3.483000 
1 1 1   59   10    4 o   32.680   0.8047 3.402000 1.609000 
1 1 1   59   10    5 o   22.690   1.0250 -0.8364000 2.050000 
1 1 1   59   10    6 o   34.380   0.7795 0.9488000E-01 1.559000 
1 1 1   59   10    7 o   5.2890   1.7320 -1.020000 3.464000 
1 1 1   59   10    8 o   15.450   1.6110 -4.426000 3.221000 
1 1 1   59   10    9 o   20.100   1.2250 -2.411000 2.450000 
1 1 1   59   10   10 o   17.040   1.4240 -0.3589000 2.849000 
1 1 1   59   10   11 o   28.210   0.9390 2.929000 1.878000 
1 1 1   59   10   12 o   15.870   1.6510 0.3733000 3.302000 
1 1 1   59   10   13 o   24.090   1.1370 -4.302000 2.274000 
1 1 1   59   10   14 o   29.490   0.9785 0.9507000 1.957000 
1 1 1   59   10   15 o   12.050   2.0440 -6.886000 4.087000 
1 1 1   59   10   16 o   33.680   0.9066 2.397000 1.813000 
1 1 1   59   10   17 o   10.860   2.2700 2.796000 4.540000 
1 1 1   59   10   18 o   12.160   2.2390 0.5199000 4.478000 
1 1 1   59   10   19 o   18.520   1.3800 -2.230000 2.760000 
1 1 1   59   10   20 o   19.250   1.3690 -1.383000 2.739000 
1 1 1   59   10   21 o   11.010   2.1180 3.913000 4.236000 
1 1 1   59   10   22 o   5.9370   1.9050 -0.5013000 3.810000 
1 1 1   59   10   23 o   7.7300   2.1320 0.7982000 4.265000 
1 1 1   59   10   24 o   6.5330   1.9450 -4.112000 3.889000 
1 1 1   59   10   25 o   6.8490   2.0360 -1.139000 4.072000 
1 1 1   59   10   26 o   8.3370   2.1230 1.926000 4.247000 
1 1 1   59   11    0 o   19.030   1.7920 -0.000000 0.000000 
1 1 1   59   11    1 o   28.140   0.8992 -2.885000 1.798000 
1 1 1   59   11    2 o   49.780   0.7488 1.130000 1.498000 
1 1 1   59   11    3 o   23.610   1.0430 -0.4450000 2.085000 
1 1 1   59   11    4 o   40.750   0.7657 2.559000 1.531000 
1 1 1   59   11    5 o   22.150   1.1360 -1.413000 2.272000 
1 1 1   59   11    6 o   8.3520   2.1510 3.117000 4.301000 
1 1 1   59   11    7 o   50.260   0.7570 -2.884000 1.514000 
1 1 1   59   11    8 o   28.400   0.9551 4.646000 1.910000 
1 1 1   59   11    9 o   10.800   1.9730 7.117000 3.946000 
1 1 1   59   11   10 o   18.150   1.5660 -6.625000 3.131000 
1 1 1   59   11   11 o   20.100   2.0330      ?      ? 
1 1 1   59   11   12 o   7.3430   2.1480 0.3587000 4.296000 
1 1 1   59   11   13 o   10.440   2.1940 -3.407000 4.388000 
1 1 1   59   11   14 f   6.8470   2.0970 -0.8952000E-01 4.194000 
1 1 1   59   11   15 o   11.180   2.3120 1.314000 4.624000 
1 1 1   59   11   16 o   8.1870   2.2900 2.615000 4.581000 
1 1 1   59   11   17 o   10.350   2.2700 0.8590000 4.539000 
1 1 1   59   11   18 o   27.940   1.5270      ?      ? 
1 1 1   59   11   19 o   6.4970   2.0230 0.5377000 4.046000 
1 1 1   59   11   20 o   12.450   2.1210 1.092000 4.241000 
1 1 1   59   11   21 o   27.380   1.0180 1.076000 2.035000 
1 1 1   59   11   22 o   12.580   2.0450 -0.4153000E-01 4.090000 
1 1 1   59   11   23 o   13.200   1.9020 -2.433000 3.805000 
1 1 1   59   11   24 o   7.0790   2.0570 -1.788000 4.114000 
1 1 1   59   11   25 o   11.790   2.0190 -2.613000 4.039000 
1 1 1   59   12    0 o   24.140   1.5020 -0.000000 0.000000 
1 1 1   59   12    1 o   20.900   1.2630 -2.845000 2.526000 
1 1 1   59   12    2 o   23.560   1.1560 0.1751000 2.313000 
1 1 1   59   12    3 o   33.290   0.8663 -1.136000 1.733000 
1 1 1   59   12    4 o   6.7500   2.0650 -0.2332000 4.131000 
1 1 1   59   12    5 o   28.440   0.9682 -1.931000 1.936000 
1 1 1   59   12    6 o   42.800   0.8015 2.736000 1.603000 
1 1 1   59   12    7 o   23.760   1.1310 -0.3827000 2.262000 
1 1 1   59   12    8 o   10.580   2.2720 -2.012000 4.544000 
1 1 1   59   12    9 o   11.310   2.2120 -3.610000 4.423000 
1 1 1   59   12   10 o   13.610   2.0670 -3.460000 4.134000 
1 1 1   59   12   11 o   10.150   2.3800 0.8777000 4.759000 
1 1 1   59   12   12 o   16.120   1.8190 -1.651000 3.639000 
1 1 1   59   12   13 o   18.390   1.6190 -0.3964000 3.239000 
1 1 1   59   12   14 o   11.260   2.1550 -5.284000 4.310000 
1 1 1   59   12   15 o   14.020   1.9780 5.475000 3.957000 
1 1 1   59   12   16 o   15.440   1.8620 1.878000 3.725000 
1 1 1   59   12   17 o   7.7130   2.2250 -0.7837000 4.450000 
1 1 1   59   12   18 o   10.080   2.2580 -4.395000 4.515000 
1 1 1   59   12   19 o   10.020   2.2900 0.7635000 4.580000 
1 1 1   59   12   20 o   7.5190   2.0990 -3.482000 4.198000 
1 1 1   59   12   21 o   9.0820   2.2760 0.4142000 4.552000 
1 1 1   59   12   22 o   10.200   2.1000 4.729000 4.200000 
1 1 1   59   12   23 f   9.5120   2.1230 4.097000 4.246000 
1 1 1   59   12   24 o   13.260   1.9330 1.263000 3.867000 
1 1 1   59   13    0 o   17.840   2.2550 -0.000000 0.000000 
1 1 1   59   13    1 o   15.020   1.8580 -0.4308000 3.717000 
1 1 1   59   13    2 o   8.2000   2.2580 2.241000 4.516000 
1 1 1   59   13    3 o   12.610   2.2070 -2.586000 4.415000 
1 1 1   59   13    4 o   10.820   2.2180 5.260000 4.436000 
1 1 1   59   13    5 o   30.040   1.0420 4.046000 2.084000 
1 1 1   59   13    6 o   15.170   1.9830 -3.375000 3.965000 
1 1 1   59   13    7 o   11.610   2.2830 0.6370000 4.567000 
1 1 1   59   13    8 o   13.340   2.2320 0.2801000 4.464000 
1 1 1   59   13    9 o   12.150   2.2350 5.260000 4.470000 
1 1 1   59   13   10 o   10.290   2.3880 0.6148000 4.777000 
1 1 1   59   13   11 o   10.990   2.2930 0.5153000 4.585000 
1 1 1   59   13   12 o   8.6020   2.2940 0.7863000 4.587000 
1 1 1   59   13   13 o   22.890   1.3030 1.004000 2.605000 
1 1 1   59   13   14 o   15.120   1.9100 -4.641000 3.820000 
1 1 1   59   13   15 o   12.530   2.1750 3.652000 4.351000 
1 1 1   59   13   16 o   8.7350   2.2640 2.405000 4.529000 
1 1 1   59   13   17 o   8.2880   2.1450 4.449000 4.291000 
1 1 1   59   13   18 o   6.6170   2.0640 0.8036000 4.129000 
1 1 1   59   13   19 o   11.510   2.2160 -3.305000 4.431000 
1 1 1   59   13   20 o   16.860   1.7400 5.240000 3.480000 
1 1 1   59   13   21 f   10.420   2.2200 2.568000 4.440000 
1 1 1   59   13   22 o   9.7520   2.1190 -5.853000 4.237000 
1 1 1   59   13   23 o   11.580   2.1980 -1.574000 4.396000 
1 1 1   59   14    0 o   12.660   3.2920 -0.000000 0.000000 
1 1 1   59   14    1 o   22.620   1.3660 6.249000 2.732000 
1 1 1   59   14    2 o   13.460   2.1820 -4.510000 4.364000 
1 1 1   59   14    3 o   28.140   1.1150 -0.2395000 2.229000 
1 1 1   59   14    4 o   27.400   1.1420 1.739000 2.283000 
1 1 1   59   14    5 o   17.450   1.8060 0.1323000 3.611000 
1 1 1   59   14    6 o   13.070   2.2830 3.149000 4.567000 
1 1 1   59   14    7 o   15.440   1.8790 -0.5673000 3.757000 
1 1 1   59   14    8 o   19.550   1.4710 -2.298000 2.942000 
1 1 1   59   14    9 o   29.580   1.0090 1.048000 2.017000 
1 1 1   59   14   10 o   14.280   1.9910 -9.912000 3.982000 
1 1 1   59   14   11 o   14.030   2.0430 -8.510000 4.085000 
1 1 1   59   14   12 o   9.7050   2.3350 -4.331000 4.669000 
1 1 1   59   14   13 o   9.3840   2.3620 -3.430000 4.725000 
1 1 1   59   14   14 o   11.760   2.0290 -9.955000 4.058000 
1 1 1   59   14   15 o   6.0210   1.9710 0.2046000 3.943000 
1 1 1   59   14   16 o   7.5200   2.0700 4.576000 4.140000 
1 1 1   59   14   17 o   12.010   2.1910 4.637000 4.382000 
1 1 1   59   14   18 o   10.760   2.3000 -3.643000 4.600000 
1 1 1   59   14   19 o  10.0000   2.2980 0.1604000E-01 4.596000 
1 1 1   59   14   20 o   12.790   2.0380 4.527000 4.076000 
1 1 1   59   14   21 o   11.570   2.1310 -5.540000 4.262000 
1 1 1   59   14   22 o   6.6980   2.0400 0.8461000 4.079000 
1 1 1   59   15    0 o   8.4080   3.3730 -0.000000 0.000000 
1 1 1   59   15    1 o   15.450   2.1080 -7.659000 4.216000 
1 1 1   59   15    2 o   10.010   2.5030 -0.1225000 5.005000 
1 1 1   59   15    3 o   16.090   1.8520 -0.3420000 3.705000 
1 1 1   59   15    4 o   10.250   2.4020 1.234000 4.804000 
1 1 1   59   15    5 f   8.7920   2.3010 1.848000 4.602000 
1 1 1   59   15    6 o   7.5470   2.2210 -3.174000 4.441000 
1 1 1   59   15    7 o   11.710   2.2860 -4.359000 4.572000 
1 1 1   59   15    8 o   12.570   2.1930 -5.909000 4.387000 
1 1 1   59   15    9 o   15.930   1.9290 -0.5645000 3.858000 
1 1 1   59   15   10 o   22.350   1.3420 -0.3551000E-01 2.684000 
1 1 1   59   15   11 o   14.050   2.1520 1.689000 4.304000 
1 1 1   59   15   12 o   6.5320   2.0850 -1.603000 4.170000 
1 1 1   59   15   13 o   18.620   1.6220 -0.4366000 3.245000 
1 1 1   59   15   14 o   8.3470   2.3440 -2.179000 4.689000 
1 1 1   59   15   15 o   8.3930   2.3440 -2.246000 4.688000 
1 1 1   59   15   16 o   7.4930   2.2240 -0.7441000 4.448000 
1 1 1   59   15   17 o   11.150   2.2380 3.406000 4.477000 
1 1 1   59   15   18 f   8.4190   2.2180 2.293000 4.436000 
1 1 1   59   15   19 o   8.0250   2.1120 3.705000 4.223000 
1 1 1   59   15   20 o   7.2190   1.9460 5.044000 3.892000 
1 1 1   59   16    0 o   39.030   1.1710 -0.000000 0.000000 
1 1 1   59   16    1 o   20.490   1.4060 -1.934000 2.813000 
1 1 1   59   16    2 o   6.8010   2.0450 3.382000 4.089000 
1 1 1   59   16    3 o   7.7030   2.1360 4.578000 4.273000 
1 1 1   59   16    4 o   15.100   2.0320 -3.000000 4.064000 
1 1 1   59   16    5 o   6.6660   2.1160 -0.1592000 4.231000 
1 1 1   59   16    6 o   13.630   2.1790 5.405000 4.359000 
1 1 1   59   16    7 o   10.880   2.3510 -4.333000 4.703000 
1 1 1   59   16    8 o   7.4940   2.2370 -0.4754000 4.474000 
1 1 1   59   16    9 o   8.4430   2.3380 -0.8298000 4.676000 
1 1 1   59   16   10 o   7.9270   2.1950 -4.764000 4.390000 
1 1 1   59   16   11 o   11.870   2.2940 -5.276000 4.589000 
1 1 1   59   16   12 o   23.710   1.3220 -2.089000 2.643000 
1 1 1   59   16   13 o   7.3310   2.2310 -0.4447000 4.462000 
1 1 1   59   16   14 o   11.110   2.2830 4.694000 4.566000 
1 1 1   59   16   15 o   6.1150   2.0030 -1.555000 4.006000 
1 1 1   59   16   16 o   8.7180   2.2810 -2.837000 4.561000 
1 1 1   59   16   17 o   8.6770   2.1540 -5.055000 4.309000 
1 1 1   59   16   18 o   7.5350   2.1670 -2.001000 4.335000 
1 1 1   59   16   19 o   5.8790   1.9070 1.223000 3.815000 
1 1 1   59   17    0 f   6.7470   2.9950 -0.000000 0.000000 
1 1 1   59   17    1 f   15.620   1.9090 0.6903000 3.818000 
1 1 1   59   17    2 f   7.9220   2.2630 -2.046000 4.525000 
1 1 1   59   17    3 o   6.9390   2.1350 1.333000 4.269000 
1 1 1   59   17    4 o   21.020   1.3650 -2.055000 2.730000 
1 1 1   59   17    5 o   9.2410   2.3070 -2.238000 4.614000 
1 1 1   59   17    6 o   9.6540   2.3490 -1.244000 4.698000 
1 1 1   59   17    7 o   8.5020   2.2000 -4.047000 4.400000 
1 1 1   59   17    8 o   6.5710   2.0650 -0.9129000 4.131000 
1 1 1   59   17    9 o   8.6790   2.3050 -0.1927000E-01 4.610000 
1 1 1   59   17   10 o   10.450   2.3630 -3.640000 4.726000 
1 1 1   59   17   11 o   16.280   1.9000 -1.741000 3.800000 
1 1 1   59   17   12 o   15.620   1.9830 1.732000 3.966000 
1 1 1   59   17   13 o   9.8400   2.2990 3.637000 4.599000 
1 1 1   59   17   14 o   10.650   2.2540 3.658000 4.508000 
1 1 1   59   17   15 f   7.0590   2.1440 -1.326000 4.287000 
1 1 1   59   17   16 o   8.8580   2.2760 1.540000 4.552000 
1 1 1   59   17   17 o   10.460   2.1150 5.148000 4.230000 
1 1 1   59   18    0 o   13.060   3.1240 -0.000000 0.000000 
1 1 1   59   18    1 o   8.5170   2.3370 1.166000 4.675000 
1 1 1   59   18    2 o   12.700   2.0890 -8.096000 4.178000 
1 1 1   59   18    3 o   22.830   1.3030 -0.9008000 2.607000 
1 1 1   59   18    4 o   16.290   1.8280 -0.4533000 3.655000 
1 1 1   59   18    5 o   11.520   2.3140 0.2278000 4.628000 
1 1 1   59   18    6 o   9.6310   2.3410 1.333000 4.682000 
1 1 1   59   18    7 o   13.600   2.0940 -2.269000 4.188000 
1 1 1   59   18    8 o   12.850   2.1620 2.132000 4.323000 
1 1 1   59   18    9 o   9.9670   2.2170 -4.450000 4.433000 
1 1 1   59   18   10 o   8.1200   2.2450 1.798000 4.489000 
1 1 1   59   18   11 o   9.3580   2.0750 6.583000 4.149000 
1 1 1   59   18   12 o   8.6610   2.2460 2.856000 4.492000 
1 1 1   59   18   13 o   7.8960   2.2050 -1.425000 4.410000 
1 1 1   59   18   14 o   8.2000   2.1390 -3.173000 4.279000 
1 1 1   59   18   15 o   7.6050   2.1500 -1.596000 4.299000 
1 1 1   59   19    0 f   8.4020   3.2680 -0.000000 0.000000 
1 1 1   59   19    1 o   9.2830   2.1490 5.837000 4.299000 
1 1 1   59   19    2 o   9.7840   2.3560 -1.081000 4.712000 
1 1 1   59   19    3 o   8.7860   2.2340 4.132000 4.468000 
1 1 1   59   19    4 o   7.7330   2.1900 -2.599000 4.380000 
1 1 1   59   19    5 o   7.3030   2.1750 0.8658000 4.350000 
1 1 1   59   19    6 o   10.730   2.3070 -0.7844000 4.614000 
1 1 1   59   19    7 o   6.7100   2.0680 -1.225000 4.137000 
1 1 1   59   19    8 o   9.4320   2.2860 1.984000 4.573000 
1 1 1   59   19    9 o   8.1770   2.1940 3.122000 4.388000 
1 1 1   59   19   10 o   9.8940   2.2750 -2.022000 4.551000 
1 1 1   59   19   11 o   6.0810   1.9600 0.1218000 3.921000 
1 1 1   59   19   12 o   7.4330   2.1720 1.017000 4.345000 
1 1 1   59   20    0 o   11.180   3.3040 -0.000000 0.000000 
1 1 1   59   20    1 o   10.710   2.2830 -3.833000 4.567000 
1 1 1   59   20    2 o   8.7650   2.3200 1.091000 4.640000 
1 1 1   59   20    3 o   8.3490   2.2960 -0.5565000E-01 4.592000 
1 1 1   59   20    4 f   8.4420   2.2890 0.1301000 4.579000 
1 1 1   59   20    5 o   6.7010   2.0500 -2.448000 4.100000 
1 1 1   59   20    6 o   8.6600   2.2730 -1.299000 4.547000 
1 1 1   59   20    7 o   7.9110   2.1920 0.9850000 4.384000 
1 1 1   59   20    8 o   9.9200   2.2780 0.9077000 4.556000 
1 1 1   60    0    0 o   7.8740   3.0330 -0.000000 0.000000 
1 1 1   60    0    1 o   13.900   1.7870 -0.000000 0.000000 
1 1 1   60    0    2 o   42.550   0.8898 -0.000000 0.000000 
1 1 1   60    0    3 o   35.630   0.9083 -0.000000 0.000000 
1 1 1   60    0    4 o   34.980   0.9408 -0.000000 0.000000 
1 1 1   60    0    5 o   41.250   0.8966 -0.000000 0.000000 
1 1 1   60    0    6 o   14.820   1.7620 -0.000000 0.000000 
1 1 1   60    0    7 o   47.170   0.9291 -0.000000 0.000000 
1 1 1   60    0    8 o   7.8930   2.6790 -0.000000 0.000000 
1 1 1   60    0    9 o   14.060   1.9150 -0.000000 0.000000 
1 1 1   60    0   10 o   79.040   1.2420 -0.000000 0.000000 
1 1 1   60    0   11 o   13.110   2.0430 -0.000000 0.000000 
1 1 1   60    0   12 o   30.460   1.0160 -0.000000 0.000000 
1 1 1   60    0   13 o   8.5030   2.7650 -0.000000 0.000000 
1 1 1   60    0   14 o   10.560   2.6090 -0.000000 0.000000 
1 1 1   60    0   15 o   13.750   2.1820 -0.000000 0.000000 
1 1 1   60    0   16 o   11.900   2.5310 -0.000000 0.000000 
1 1 1   60    0   17 o   54.200   1.0170 -0.000000 0.000000 
1 1 1   60    0   18 o   18.430   1.6760 -0.000000 0.000000 
1 1 1   60    0   19 o   5.5970   2.5430 -0.000000 0.000000 
1 1 1   60    0   20 f   18.200   1.7940 -0.000000 0.000000 
1 1 1   60    0   21 o   24.500   1.3950 -0.000000 0.000000 
1 1 1   60    0   22 o   24.350   1.4310 -0.000000 0.000000 
1 1 1   60    0   23 o   15.780   2.1200 -0.000000 0.000000 
1 1 1   60    0   24 o   23.940   1.4030 -0.000000 0.000000 
1 1 1   60    0   25 o   5.7220   2.5850 -0.000000 0.000000 
1 1 1   60    0   26 o   21.480   1.5270 -0.000000 0.000000 
1 1 1   60    0   27 o   10.750   2.8040 -0.000000 0.000000 
1 1 1   60    0   28 o   8.6280   2.8530 -0.000000 0.000000 
1 1 1   60    0   29 o   7.8080   2.7690 -0.000000 0.000000 
1 1 1   60    1    0 o   5.3470   2.1910 -0.000000 0.000000 
1 1 1   60    1    1 o   32.050   0.5191 -1.934000 1.038000 
1 1 1   60    1    2 o   33.710   0.5044 3.530000 1.009000 
1 1 1   60    1    3 o   6.7720   1.6230 0.4372000 3.246000 
1 1 1   60    1    4 o   25.550   0.5831 0.5279000 1.166000 
1 1 1   60    1    5 o   18.840   0.7354 0.3719000E-01 1.471000 
1 1 1   60    1    6 o   24.980   0.5974 -1.854000 1.195000 
1 1 1   60    1    7 o   34.350   0.5717 -2.326000 1.143000 
1 1 1   60    1    8 o   25.660   0.5902 -0.9104000 1.180000 
1 1 1   60    1    9 o   19.720   0.7236 0.8961000E-01 1.447000 
1 1 1   60    1   10 o   40.120   0.5834 1.097000 1.167000 
1 1 1   60    1   11 o   53.320   0.6146 2.404000 1.229000 
1 1 1   60    1   12 o   11.230   1.4860 0.8731000E-01 2.972000 
1 1 1   60    1   13 o   40.000   0.5900 -1.838000 1.180000 
1 1 1   60    1   14 o   13.150   1.3930 2.676000 2.786000 
1 1 1   60    1   15 o   19.220   0.9484 1.078000 1.897000 
1 1 1   60    1   16 o   21.220   1.0140 -0.6129000 2.028000 
1 1 1   60    1   17 o   29.340   0.8156 -2.266000 1.631000 
1 1 1   60    1   18 o   36.200   0.7361 2.333000 1.472000 
1 1 1   60    1   19 o   7.7970   2.9570      ?      ? 
1 1 1   60    1   20 o   27.850   0.8753 -1.156000 1.751000 
1 1 1   60    1   21 o   26.220   0.9454 -0.7824000E-01 1.891000 
1 1 1   60    1   22 o   9.6770   2.1530 2.183000 4.307000 
1 1 1   60    1   23 o   17.760   1.3590 -1.569000 2.718000 
1 1 1   60    1   24 o   12.010   1.8850 -0.8349000 3.769000 
1 1 1   60    1   25 o   23.220   1.0030 -0.9712000 2.005000 
1 1 1   60    1   26 o   19.030   1.2100 2.368000 2.420000 
1 1 1   60    1   27 o   6.2330   1.8870 -0.9974000 3.774000 
1 1 1   60    1   28 o   7.6170   1.8290 -4.558000 3.658000 
1 1 1   60    1   29 o   7.3710   1.9440 -1.856000 3.889000 
1 1 1   60    2    0 o   20.140   0.9646 -0.000000 0.000000 
1 1 1   60    2    1 o   6.0280   1.5720 1.246000 3.144000 
1 1 1   60    2    2 o   45.100   0.5055 1.491000 1.011000 
1 1 1   60    2    3 o   21.310   0.6768 5.232000 1.354000 
1 1 1   60    2    4 o   21.930   0.6596 0.8539000 1.319000 
1 1 1   60    2    5 o   8.3970   1.5120 2.728000 3.024000 
1 1 1   60    2    6 o   19.860   0.7030 -0.8659000E-01 1.406000 
1 1 1   60    2    7 o   62.040   0.5945 2.313000 1.189000 
1 1 1   60    2    8 o   29.030   0.5453 -0.9297000 1.091000 
1 1 1   60    2    9 o   12.940   1.2180 5.669000 2.435000 
1 1 1   60    2   10 o   44.290   0.5177 -0.6523000E-03 1.035000 
1 1 1   60    2   11 o   42.160   0.5155 -0.6094000 1.031000 
1 1 1   60    2   12 o   25.540   0.6257 0.1700000 1.251000 
1 1 1   60    2   13 f   31.690   0.5700 0.8823000 1.140000 
1 1 1   60    2   14 o   31.910   0.5768 1.937000 1.154000 
1 1 1   60    2   15 o   8.3930   1.3630 -8.400000 2.725000 
1 1 1   60    2   16 o   16.630   0.9800 -0.8192000 1.960000 
1 1 1   60    2   17 o   29.190   0.6381 -3.493000 1.276000 
1 1 1   60    2   18 o   9.6200   1.6460 -5.184000 3.292000 
1 1 1   60    2   19 o   6.5760   1.7690 2.317000 3.538000 
1 1 1   60    2   20 o   13.750   1.4610 -0.1841000 2.922000 
1 1 1   60    2   21 f   8.0290   1.9880 -0.6554000 3.977000 
1 1 1   60    2   22 o   6.9050   1.9250 0.3831000 3.849000 
1 1 1   60    2   23 o   18.220   1.1460 -0.1025000E-01 2.292000 
1 1 1   60    2   24 o   19.380   1.0670 -1.008000 2.135000 
1 1 1   60    2   25 o   5.4350   1.6830 1.093000 3.366000 
1 1 1   60    2   26 o   6.7860   1.9900 1.438000 3.979000 
1 1 1   60    2   27 o   8.1720   1.8340 -5.590000 3.668000 
1 1 1   60    2   28 o   10.750   1.8560 -3.361000 3.713000 
1 1 1   60    2   29 o   5.8790   1.7810 0.8388000 3.561000 
1 1 1   60    3    0 o   57.530   0.9680 -0.000000 0.000000 
1 1 1   60    3    1 o   50.140   0.6394 1.957000 1.279000 
1 1 1   60    3    2 o   17.490   0.9621 1.378000 1.924000 
1 1 1   60    3    3 o   21.490   0.8015 0.8293000 1.603000 
1 1 1   60    3    4 o   48.570   0.6316 -3.872000 1.263000 
1 1 1   60    3    5 f   30.700   0.6428 -0.2664000E-01 1.286000 
1 1 1   60    3    6 o   32.650   0.6256 -1.238000 1.251000 
1 1 1   60    3    7 o   29.650   0.6673 -1.387000 1.335000 
1 1 1   60    3    8 o   57.740   0.6904 0.5082000 1.381000 
1 1 1   60    3    9 o   19.120   0.8964 -0.8870000 1.793000 
1 1 1   60    3   10 o   42.760   0.6267 -2.739000 1.253000 
1 1 1   60    3   11 o   28.760   0.6875 -2.109000 1.375000 
1 1 1   60    3   12 o   11.180   1.5930 -0.9298000 3.186000 
1 1 1   60    3   13 o   37.450   0.6517 0.9599000 1.303000 
1 1 1   60    3   14 o   33.450   0.6118 -4.697000 1.224000 
1 1 1   60    3   15 o   16.740   1.0740 1.234000 2.148000 
1 1 1   60    3   16 o   29.890   0.6991 3.721000 1.398000 
1 1 1   60    3   17 o   18.780   1.0360 3.261000 2.073000 
1 1 1   60    3   18 o   12.670   1.5840 1.420000 3.168000 
1 1 1   60    3   19 o   30.100   0.7292 -0.7015000 1.458000 
1 1 1   60    3   20 o   25.010   0.8403 1.588000 1.681000 
1 1 1   60    3   21 o   11.340   1.6480 0.7934000 3.296000 
1 1 1   60    3   22 o   25.730   0.7862 0.7628000 1.572000 
1 1 1   60    3   23 f   13.050   1.4890 -1.149000 2.978000 
1 1 1   60    3   24 o   6.1500   1.7840 -2.803000 3.568000 
1 1 1   60    3   25 o   9.6210   1.8620 2.860000 3.723000 
1 1 1   60    3   26 o   9.4730   1.9280 -0.1990000 3.855000 
1 1 1   60    3   27 o   14.250   1.4160 2.420000 2.831000 
1 1 1   60    3   28 o   27.180   0.7090 -2.213000 1.418000 
1 1 1   60    3   29 o   11.560   1.5440 2.154000 3.089000 
1 1 1   60    4    0 o   22.430   1.1150 -0.000000 0.000000 
1 1 1   60    4    1 o   23.470   0.7629 1.681000 1.526000 
1 1 1   60    4    2 o   51.970   0.6567 1.393000 1.313000 
1 1 1   60    4    3 o   61.370   0.7198 -2.424000 1.440000 
1 1 1   60    4    4 o   44.110   0.6221 1.501000 1.244000 
1 1 1   60    4    5 o   34.900   0.6241 2.364000 1.248000 
1 1 1   60    4    6 o   33.270   0.6395 0.2506000 1.279000 
1 1 1   60    4    7 o   44.630   0.6220 0.5478000E-01 1.244000 
1 1 1   60    4    8 f   26.030   0.7059 0.7407000 1.412000 
1 1 1   60    4    9 o   26.460   0.7272 -3.976000 1.454000 
1 1 1   60    4   10 o   9.1550   1.7970 0.4749000 3.594000 
1 1 1   60    4   11 o   19.190   0.9660 -3.059000 1.932000 
1 1 1   60    4   12 o   9.1340   1.7730 3.609000 3.546000 
1 1 1   60    4   13 o   33.740   0.6875 -1.996000 1.375000 
1 1 1   60    4   14 o   15.540   1.2930 -2.264000 2.587000 
1 1 1   60    4   15 o   22.660   0.8932 -0.7053000 1.786000 
1 1 1   60    4   16 o   29.300   0.7762 -2.214000 1.552000 
1 1 1   60    4   17 o   28.850   0.8000 0.7196000 1.600000 
1 1 1   60    4   18 o   33.400   0.7470 1.055000 1.494000 
1 1 1   60    4   19 o   16.860   1.2970 -1.928000 2.593000 
1 1 1   60    4   20 o   11.690   1.8790 3.673000 3.757000 
1 1 1   60    4   21 o   13.860   1.6250 0.9855000 3.250000 
1 1 1   60    4   22 o   8.7410   2.0440 -1.080000 4.089000 
1 1 1   60    4   23 o   19.750   1.1160 0.2208000 2.233000 
1 1 1   60    4   24 o   15.980   1.3350 -4.036000 2.670000 
1 1 1   60    4   25 f   6.4650   1.9150 -1.305000 3.830000 
1 1 1   60    4   26 o   6.3610   1.8340 0.8580000 3.668000 
1 1 1   60    4   27 o   21.540   0.9446 -1.160000 1.889000 
1 1 1   60    4   28 o   14.810   1.1790 -0.8860000 2.357000 
1 1 1   60    4   29 o   5.7020   1.6590 -2.803000 3.319000 
1 1 1   60    5    0 o   36.950   0.8875 -0.000000 0.000000 
1 1 1   60    5    1 o   19.630   0.9048 2.729000 1.810000 
1 1 1   60    5    2 o   8.6430   1.7630 -2.094000 3.527000 
1 1 1   60    5    3 o   36.080   0.6435 -4.166000 1.287000 
1 1 1   60    5    4 o   67.910   0.7756 -1.542000 1.551000 
1 1 1   60    5    5 o   30.930   0.6617 -1.084000 1.323000 
1 1 1   60    5    6 o   25.360   0.7491 2.809000 1.498000 
1 1 1   60    5    7 o   26.040   0.7370 1.234000 1.474000 
1 1 1   60    5    8 o   22.100   0.8262 -0.9926000 1.652000 
1 1 1   60    5    9 o   64.040   0.7487 -0.1407000 1.497000 
1 1 1   60    5   10 o   21.080   0.9139 3.353000 1.828000 
1 1 1   60    5   11 o   47.270   0.6577 -1.778000 1.315000 
1 1 1   60    5   12 o   41.180   0.6607 0.7431000 1.321000 
1 1 1   60    5   13 o   14.140   1.4500 4.852000 2.899000 
1 1 1   60    5   14 o   6.3030   1.8380 1.374000 3.676000 
1 1 1   60    5   15 o   21.440   0.9668 -3.295000 1.934000 
1 1 1   60    5   16 o   42.050   0.6984 0.7463000 1.397000 
1 1 1   60    5   17 o   13.760   1.6700 8.003000 3.341000 
1 1 1   60    5   18 f   8.5830   2.0550 -2.229000 4.109000 
1 1 1   60    5   19 o   18.990   1.2130 -3.197000 2.425000 
1 1 1   60    5   20 o   17.140   1.3880 -2.246000 2.776000 
1 1 1   60    5   21 o   21.300   1.1210 -4.079000 2.242000 
1 1 1   60    5   22 o   21.830   1.1460 -3.701000 2.292000 
1 1 1   60    5   23 o   11.800   1.9540 -3.203000 3.909000 
1 1 1   60    5   24 o   13.300   1.8430 6.317000 3.686000 
1 1 1   60    5   25 o   9.8070   2.1040 1.179000 4.208000 
1 1 1   60    5   26 f   16.340   1.4740 3.995000 2.948000 
1 1 1   60    5   27 o   12.380   1.6030 -4.190000 3.206000 
1 1 1   60    5   28 o   12.250   1.6520 0.5900000 3.304000 
1 1 1   60    6    0 o   25.080   1.1180 -0.000000 0.000000 
1 1 1   60    6    1 o   38.030   0.6361 -1.056000 1.272000 
1 1 1   60    6    2 o   39.990   0.6356 -2.948000 1.271000 
1 1 1   60    6    3 o   27.670   0.7222 0.6825000 1.444000 
1 1 1   60    6    4 f   45.830   0.6422 -2.781000 1.284000 
1 1 1   60    6    5 o   45.400   0.6444 1.508000 1.289000 
1 1 1   60    6    6 o   17.420   1.0810 -4.524000 2.163000 
1 1 1   60    6    7 o   38.290   0.6508 -1.715000 1.302000 
1 1 1   60    6    8 o   30.570   0.6867 1.481000 1.373000 
1 1 1   60    6    9 o   31.480   0.6983 2.186000 1.397000 
1 1 1   60    6   10 o   39.060   0.6716 -3.294000 1.343000 
1 1 1   60    6   11 o   25.030   0.8333 -0.3419000 1.667000 
1 1 1   60    6   12 o   24.450   0.8811 5.132000 1.762000 
1 1 1   60    6   13 o   34.810   0.7131 1.581000 1.426000 
1 1 1   60    6   14 o   35.710   0.7090 -1.371000 1.418000 
1 1 1   60    6   15 o   34.740   0.7411 -1.859000 1.482000 
1 1 1   60    6   16 f   35.490   0.7416 3.289000 1.483000 
1 1 1   60    6   17 o   17.570   1.2930 1.685000 2.586000 
1 1 1   60    6   18 o   7.6620   2.0100 -3.564000 4.021000 
1 1 1   60    6   19 o   11.290   1.9680 3.612000 3.937000 
1 1 1   60    6   20 o   12.980   1.8770 -1.717000 3.754000 
1 1 1   60    6   21 o   20.360   1.2330 -0.2768000 2.465000 
1 1 1   60    6   22 o   7.8700   2.1450 -1.647000 4.290000 
1 1 1   60    6   23 o   16.560   1.4970 0.8617000 2.993000 
1 1 1   60    6   24 o   9.9690   2.1870 -1.542000 4.374000 
1 1 1   60    6   25 o   11.660   1.9730 3.227000 3.946000 
1 1 1   60    6   26 o   13.530   1.7170 1.920000 3.434000 
1 1 1   60    6   27 o   6.8250   1.9660 -0.8494000 3.932000 
1 1 1   60    6   28 o   9.0150   2.0170 2.877000 4.035000 
1 1 1   60    7    0 o   15.250   1.6890 -0.000000 0.000000 
1 1 1   60    7    1 o   20.060   0.9406 -3.476000 1.881000 
1 1 1   60    7    2 o   9.6200   1.8380 -1.467000 3.676000 
1 1 1   60    7    3 o   6.5850   1.8430 -0.3086000 3.686000 
1 1 1   60    7    4 o   41.320   0.6539 2.761000 1.308000 
1 1 1   60    7    5 o   67.390   0.7838 2.648000 1.568000 
1 1 1   60    7    6 o   61.800   0.7409 0.2370000 1.482000 
1 1 1   60    7    7 o   44.470   0.6622 -1.750000 1.324000 
1 1 1   60    7    8 o   27.740   0.7731 -0.4656000 1.546000 
1 1 1   60    7    9 o   16.750   1.1690 2.010000 2.338000 
1 1 1   60    7   10 o   15.860   1.3040 -0.7007000 2.608000 
1 1 1   60    7   11 o   68.430   0.8019 2.285000 1.604000 
1 1 1   60    7   12 o   36.450   0.7283 1.746000 1.457000 
1 1 1   60    7   13 o   17.450   1.2750 -1.170000 2.549000 
1 1 1   60    7   14 o   23.910   0.9618 -3.569000 1.924000 
1 1 1   60    7   15 o   18.430   1.3040 -3.631000 2.608000 
1 1 1   60    7   16 f   5.1380   1.7040 -0.3246000 3.408000 
1 1 1   60    7   17 o   6.4570   1.9640 -1.180000 3.928000 
1 1 1   60    7   18 o   7.0230   2.0600 -0.3352000 4.121000 
1 1 1   60    7   19 o   15.810   1.6150 0.7376000 3.230000 
1 1 1   60    7   20 o   11.220   2.1240 -4.061000 4.248000 
1 1 1   60    7   21 o   23.970   1.1170 -3.083000 2.234000 
1 1 1   60    7   22 o   8.5790   2.1860 -2.935000 4.372000 
1 1 1   60    7   23 o   11.670   1.9150 7.224000 3.829000 
1 1 1   60    7   24 o   16.110   1.6110 -1.060000 3.223000 
1 1 1   60    7   25 o   9.1020   2.1490 -3.575000 4.298000 
1 1 1   60    7   26 o   13.100   1.8980 1.297000 3.795000 
1 1 1   60    7   27 o   7.0990   1.9290 1.867000 3.857000 
1 1 1   60    7   28 o   14.690   1.5360 0.3970000 3.073000 
1 1 1   60    8    0 o   27.000   1.1410 -0.000000 0.000000 
1 1 1   60    8    1 o   17.970   1.1230 0.1787000 2.246000 
1 1 1   60    8    2 o   60.900   0.7403 2.150000 1.481000 
1 1 1   60    8    3 o   38.090   0.6702 0.6518000 1.340000 
1 1 1   60    8    4 o   12.040   1.7030 -1.532000 3.407000 
1 1 1   60    8    5 o   58.360   0.7288 0.7311000 1.458000 
1 1 1   60    8    6 o   27.720   0.7854 -1.936000 1.571000 
1 1 1   60    8    7 o   21.330   1.3810      ?      ? 
1 1 1   60    8    8 o   28.080   0.8011 1.605000 1.602000 
1 1 1   60    8    9 o   11.370   1.8220 1.161000 3.645000 
1 1 1   60    8   10 o   42.460   0.6917 -3.547000 1.383000 
1 1 1   60    8   11 o   31.250   0.7689 -2.481000 1.538000 
1 1 1   60    8   12 o   45.320   0.7073 1.091000 1.415000 
1 1 1   60    8   13 o   15.610   1.4770 1.578000 2.955000 
1 1 1   60    8   14 o   12.090   1.9630 0.9694000E-01 3.926000 
1 1 1   60    8   15 o   27.110   0.9490 -1.372000 1.898000 
1 1 1   60    8   16 o   9.4530   2.2140 -0.2240000 4.429000 
1 1 1   60    8   17 o   17.720   1.4150 2.560000 2.831000 
1 1 1   60    8   18 o   8.0600   2.2040 -0.2581000 4.408000 
1 1 1   60    8   19 o   17.840   1.4730 1.520000 2.946000 
1 1 1   60    8   20 o   21.600   1.2350 -0.9619000 2.469000 
1 1 1   60    8   21 o   18.760   1.4390 3.745000 2.879000 
1 1 1   60    8   22 o   8.4270   2.2370 0.1487000 4.475000 
1 1 1   60    8   23 o   8.9940   2.2370 -0.5485000 4.475000 
1 1 1   60    8   24 o   6.1550   1.9320 -0.7900000 3.865000 
1 1 1   60    8   25 f   5.8220   1.8490 0.5355000 3.697000 
1 1 1   60    8   26 o   7.3890   1.8940 3.800000 3.788000 
1 1 1   60    8   27 o   10.250   2.6230      ?      ? 
1 1 1   60    9    0 o   26.220   1.2260 -0.000000 0.000000 
1 1 1   60    9    1 o   6.9910   1.9630 1.085000 3.926000 
1 1 1   60    9    2 f   9.1330   1.9810 -1.943000 3.961000 
1 1 1   60    9    3 o   5.5960   1.7640 1.185000 3.527000 
1 1 1   60    9    4 o   24.270   0.9407 2.928000 1.881000 
1 1 1   60    9    5 o   16.670   1.2430 -0.9816000 2.486000 
1 1 1   60    9    6 o   33.160   0.7561 -1.026000 1.512000 
1 1 1   60    9    7 o   12.300   1.7810 -0.3391000 3.561000 
1 1 1   60    9    8 o   9.3330   2.0450 -1.198000 4.090000 
1 1 1   60    9    9 o   25.550   0.8996 -2.276000 1.799000 
1 1 1   60    9   10 o   27.010   0.8776 2.354000 1.755000 
1 1 1   60    9   11 f   43.890   0.7295 2.042000 1.459000 
1 1 1   60    9   12 o   15.190   1.6130 1.576000 3.226000 
1 1 1   60    9   13 o   20.240   1.7270      ?      ? 
1 1 1   60    9   14 o   16.510   1.5840 4.873000 3.167000 
1 1 1   60    9   15 o   24.660   1.0730 0.4285000 2.146000 
1 1 1   60    9   16 o   15.370   1.7010 1.216000 3.401000 
1 1 1   60    9   17 o   6.8420   1.9510 -4.150000 3.902000 
1 1 1   60    9   18 o   15.640   1.7730 1.550000 3.545000 
1 1 1   60    9   19 o   13.170   2.0920 5.033000 4.184000 
1 1 1   60    9   20 o   8.9030   2.2800 -0.2241000 4.560000 
1 1 1   60    9   21 o   11.610   2.1960 1.565000 4.392000 
1 1 1   60    9   22 o   8.4720   2.2090 -0.8573000 4.418000 
1 1 1   60    9   23 o   11.790   1.9760 5.463000 3.951000 
1 1 1   60    9   24 o   7.9660   2.1660 -1.024000 4.331000 
1 1 1   60    9   25 o   14.280   1.7590 -6.448000 3.517000 
1 1 1   60    9   26 o   8.6190   1.8710 5.855000 3.743000 
1 1 1   60   10    0 o   13.960   2.3100 -0.000000 0.000000 
1 1 1   60   10    1 o   42.030   0.7200 -1.052000 1.440000 
1 1 1   60   10    2 o   16.180   1.4090 -2.916000 2.818000 
1 1 1   60   10    3 o   6.7480   1.9520 1.805000 3.903000 
1 1 1   60   10    4 o   12.750   1.8270 -3.260000 3.654000 
1 1 1   60   10    5 o   26.540   0.8988 0.1032000 1.798000 
1 1 1   60   10    6 o   45.160   0.7360 -0.1340000 1.472000 
1 1 1   60   10    7 o   9.6970   2.0820 3.634000 4.163000 
1 1 1   60   10    8 o   45.000   0.7361 -0.1888000 1.472000 
1 1 1   60   10    9 o   21.760   1.1570 -5.049000 2.314000 
1 1 1   60   10   10 o   29.890   0.8982 -1.020000 1.796000 
1 1 1   60   10   11 o   16.280   1.6160 -4.731000 3.233000 
1 1 1   60   10   12 o   10.540   2.2070 -0.3118000 4.413000 
1 1 1   60   10   13 o   9.4250   2.2340 2.823000 4.468000 
1 1 1   60   10   14 o   26.330   1.0800 -3.991000 2.160000 
1 1 1   60   10   15 o   22.980   1.2280 2.132000 2.456000 
1 1 1   60   10   16 o   15.510   1.8080 1.647000 3.616000 
1 1 1   60   10   17 o   22.020   1.2950 -0.6621000E-01 2.591000 
1 1 1   60   10   18 o   7.4910   2.1900 -1.886000 4.380000 
1 1 1   60   10   19 o   12.610   2.1560 5.305000 4.312000 
1 1 1   60   10   20 o   7.0550   2.0950 1.251000 4.191000 
1 1 1   60   10   21 o   13.840   1.9030 0.6833000 3.806000 
1 1 1   60   10   22 o   21.530   1.2430 4.275000 2.486000 
1 1 1   60   10   23 o   10.670   2.1300 -4.909000 4.260000 
1 1 1   60   10   24 o   6.7200   2.0070 -2.399000 4.015000 
1 1 1   60   10   25 o   8.3660   2.0710 -4.837000 4.143000 
1 1 1   60   10   26 o   7.1380   2.0880 -0.9229000 4.175000 
1 1 1   60   11    0 o   62.720   1.1350 -0.000000 0.000000 
1 1 1   60   11    1 o   35.620   0.7964 -1.528000 1.593000 
1 1 1   60   11    2 o   6.8040   2.0250 0.5481000 4.050000 
1 1 1   60   11    3 o   21.440   1.1740 2.304000 2.349000 
1 1 1   60   11    4 o   37.800   0.7799 -2.908000 1.560000 
1 1 1   60   11    5 f   32.450   0.8649 -0.7009000 1.730000 
1 1 1   60   11    6 o   17.200   1.4860 4.954000 2.971000 
1 1 1   60   11    7 o   14.410   1.7950 -0.8507000 3.590000 
1 1 1   60   11    8 o   21.850   1.1840 -1.926000 2.369000 
1 1 1   60   11    9 o   14.870   1.7910 -2.795000 3.582000 
1 1 1   60   11   10 o   16.300   1.7890 -7.824000 3.579000 
1 1 1   60   11   11 o   34.490   0.8972 -1.938000 1.794000 
1 1 1   60   11   12 o   34.360   0.9130 3.889000 1.826000 
1 1 1   60   11   13 o   37.290   0.8481 -1.214000 1.696000 
1 1 1   60   11   14 o   8.9120   2.2930 -1.531000 4.586000 
1 1 1   60   11   15 o   8.3350   2.3110 0.3549000 4.621000 
1 1 1   60   11   16 o   20.900   1.4440 0.1009000 2.888000 
1 1 1   60   11   17 o   19.110   1.4250 2.346000 2.850000 
1 1 1   60   11   18 o   10.130   2.0000 -8.009000 4.000000 
1 1 1   60   11   19 o   7.6030   2.1710 1.134000 4.343000 
1 1 1   60   11   20 o   27.100   1.0230 1.662000 2.045000 
1 1 1   60   11   21 o   20.460   1.2920 -0.2818000 2.584000 
1 1 1   60   11   22 o   10.190   2.2420 -1.592000 4.483000 
1 1 1   60   11   23 o   8.6720   2.0870 3.633000 4.175000 
1 1 1   60   11   24 o   10.970   2.0660 -4.783000 4.133000 
1 1 1   60   11   25 o   5.9710   1.8950 0.5917000 3.790000 
1 1 1   60   12    0 o   26.230   1.4810 -0.000000 0.000000 
1 1 1   60   12    1 o   22.670   1.2070 -1.446000 2.414000 
1 1 1   60   12    2 o   11.760   2.1560 -1.584000 4.312000 
1 1 1   60   12    3 o   8.0040   2.2050 -2.218000 4.410000 
1 1 1   60   12    4 o   40.670   0.8028 -1.489000 1.606000 
1 1 1   60   12    5 o   29.730   0.9767 2.454000 1.953000 
1 1 1   60   12    6 o   8.5600   2.2000 3.321000 4.400000 
1 1 1   60   12    7 o   27.380   1.0450 3.675000 2.090000 
1 1 1   60   12    8 o   32.970   0.9114 -4.259000 1.823000 
1 1 1   60   12    9 f   38.590   0.8453 -0.2986000 1.691000 
1 1 1   60   12   10 o   21.090   1.3910 -2.247000 2.782000 
1 1 1   60   12   11 o   11.550   2.2470 -3.980000 4.494000 
1 1 1   60   12   12 f   16.350   1.8590 2.424000 3.718000 
1 1 1   60   12   13 o   11.080   2.3820 1.752000 4.765000 
1 1 1   60   12   14 o   13.920   1.9570 -9.287000 3.914000 
1 1 1   60   12   15 o   8.6470   2.2550 -3.555000 4.511000 
1 1 1   60   12   16 o   22.680   1.2680 1.043000 2.537000 
1 1 1   60   12   17 o   10.170   2.3050 1.020000 4.610000 
1 1 1   60   12   18 o   11.990   2.1350 -5.675000 4.271000 
1 1 1   60   12   19 o   13.160   2.0760 -0.9854000 4.151000 
1 1 1   60   12   20 o   12.060   2.1420 -2.489000 4.283000 
1 1 1   60   12   21 o   11.200   2.2150 -2.752000 4.430000 
1 1 1   60   12   22 f   9.8350   2.0270 5.483000 4.055000 
1 1 1   60   12   23 o   7.6880   2.1290 -3.130000 4.258000 
1 1 1   60   12   24 o   7.6320   2.1340 -2.767000 4.267000 
1 1 1   60   13    0 o   16.480   2.4880 -0.000000 0.000000 
1 1 1   60   13    1 o   10.060   2.3400 -1.859000 4.680000 
1 1 1   60   13    2 o   21.960   1.3250 5.225000 2.649000 
1 1 1   60   13    3 o   7.7340   2.1120 -4.684000 4.224000 
1 1 1   60   13    4 o   11.990   2.2330 2.494000 4.466000 
1 1 1   60   13    5 o   15.480   1.9560 4.970000 3.912000 
1 1 1   60   13    6 o   8.7230   2.2290 4.668000 4.459000 
1 1 1   60   13    7 o   23.300   1.2740 1.030000 2.548000 
1 1 1   60   13    8 o   20.380   1.4680 0.5540000 2.937000 
1 1 1   60   13    9 o   15.430   1.9910 1.975000 3.981000 
1 1 1   60   13   10 o   7.2100   3.1480      ?      ? 
1 1 1   60   13   11 o   10.150   2.2360 -5.586000 4.472000 
1 1 1   60   13   12 o   35.440   0.8813 -1.318000 1.763000 
1 1 1   60   13   13 o   7.5940   2.2090 -2.322000 4.418000 
1 1 1   60   13   14 o   15.850   1.8290 -1.731000 3.658000 
1 1 1   60   13   15 o   21.770   1.3460 -1.577000 2.692000 
1 1 1   60   13   16 o   14.520   2.0080 -3.470000 4.017000 
1 1 1   60   13   17 o   14.730   1.9650 -1.076000 3.929000 
1 1 1   60   13   18 o   13.940   2.0030 2.291000 4.006000 
1 1 1   60   13   19 o   14.660   1.9100 1.617000 3.820000 
1 1 1   60   13   20 o   7.5230   2.1860 -0.9176000 4.372000 
1 1 1   60   13   21 o   8.1980   2.2450 0.2403000 4.491000 
1 1 1   60   13   22 o   9.2210   2.2490 -2.310000 4.498000 
1 1 1   60   13   23 o   8.6520   2.2300 -2.630000 4.459000 
1 1 1   60   14    0 f   9.0090   3.4080 -0.000000 0.000000 
1 1 1   60   14    1 o   10.450   1.9960 -9.089000 3.991000 
1 1 1   60   14    2 o   19.960   1.5150 -1.631000 3.030000 
1 1 1   60   14    3 o   24.690   1.2280 3.233000 2.457000 
1 1 1   60   14    4 o   19.370   1.6270 -4.180000 3.254000 
1 1 1   60   14    5 o   9.1000   2.2720 5.417000 4.545000 
1 1 1   60   14    6 o   18.120   1.8000 4.691000 3.599000 
1 1 1   60   14    7 o   21.000   1.4910 2.147000 2.981000 
1 1 1   60   14    8 o   6.1710   1.9760 1.717000 3.951000 
1 1 1   60   14    9 o   26.370   1.1480 0.7217000 2.297000 
1 1 1   60   14   10 o   9.2750   2.3170 -2.965000 4.635000 
1 1 1   60   14   11 o   15.160   1.9740 0.4981000 3.947000 
1 1 1   60   14   12 o   6.8580   2.1230 1.811000 4.247000 
1 1 1   60   14   13 o   8.0240   2.2070 -4.718000 4.414000 
1 1 1   60   14   14 o   10.170   2.4160 0.4058000 4.832000 
1 1 1   60   14   15 f   9.5930   2.3810 -2.954000 4.762000 
1 1 1   60   14   16 o   12.990   2.2250 -0.8729000 4.450000 
1 1 1   60   14   17 o   11.970   2.2610 2.477000 4.522000 
1 1 1   60   14   18 o   6.5620   2.0610 -1.309000 4.122000 
1 1 1   60   14   19 o   6.5240   2.0300 -2.454000 4.059000 
1 1 1   60   14   20 o   7.2060   2.1240 -1.896000 4.249000 
1 1 1   60   14   21 o   15.530   1.7740 -5.763000 3.548000 
1 1 1   60   14   22 o   10.480   2.8910 2.382000 5.782000 
1 1 1   60   15    0 o   8.6160   3.4230 -0.000000 0.000000 
1 1 1   60   15    1 o   33.640   1.0280 0.5989000 2.056000 
1 1 1   60   15    2 o   12.490   2.4580 2.541000 4.917000 
1 1 1   60   15    3 o   29.440   1.1550 -1.329000 2.310000 
1 1 1   60   15    4 o   23.480   1.2660 -0.9419000 2.532000 
1 1 1   60   15    5 o   9.8140   2.3850 -3.125000 4.769000 
1 1 1   60   15    6 o   21.430   1.3750 -5.133000 2.751000 
1 1 1   60   15    7 o   9.0040   2.2450 4.303000 4.489000 
1 1 1   60   15    8 o   18.590   1.6080 1.988000 3.216000 
1 1 1   60   15    9 o   13.920   2.1820 -3.728000 4.364000 
1 1 1   60   15   10 o   17.660   1.7560 1.479000 3.512000 
1 1 1   60   15   11 o   8.8170   2.2530 4.354000 4.506000 
1 1 1   60   15   12 f   6.3980   2.0450 -2.056000 4.090000 
1 1 1   60   15   13 o   7.8850   2.2320 -3.514000 4.463000 
1 1 1   60   15   14 o   14.640   2.0830 -1.688000 4.166000 
1 1 1   60   15   15 f   14.540   2.0850 -3.791000 4.169000 
1 1 1   60   15   16 o   8.8770   2.3180 -3.002000 4.636000 
1 1 1   60   15   17 o   12.070   2.2220 1.079000 4.444000 
1 1 1   60   15   18 o   9.0460   2.1980 -4.352000 4.396000 
1 1 1   60   15   19 o   10.740   2.1810 3.053000 4.362000 
1 1 1   60   15   20 o   7.0840   2.0710 2.526000 4.142000 
1 1 1   60   16    0 o   45.170   1.0650 -0.000000 0.000000 
1 1 1   60   16    1 o   9.1280   2.3250 1.819000 4.650000 
1 1 1   60   16    2 o   22.660   1.3470 -1.945000 2.693000 
1 1 1   60   16    3 o   6.6450   2.0960 1.054000 4.193000 
1 1 1   60   16    4 o   11.290   2.3410 3.644000 4.682000 
1 1 1   60   16    5 o   11.550   2.4210 0.3269000 4.841000 
1 1 1   60   16    6 o   8.5900   2.3650 1.086000 4.730000 
1 1 1   60   16    7 o   11.900   2.3700 0.8212000 4.740000 
1 1 1   60   16    8 o   6.6310   2.0950 0.7904000 4.189000 
1 1 1   60   16    9 o   20.640   1.4250 -3.889000 2.850000 
1 1 1   60   16   10 o   16.110   1.9420 -1.733000 3.883000 
1 1 1   60   16   11 o   11.520   2.4230 -3.032000 4.845000 
1 1 1   60   16   12 o   11.270   2.4130 -0.3554000 4.827000 
1 1 1   60   16   13 o   8.3480   2.3450 0.5938000 4.690000 
1 1 1   60   16   14 o   9.8280   2.4140 -0.3151000 4.827000 
1 1 1   60   16   15 o   10.630   2.2900 3.794000 4.581000 
1 1 1   60   16   16 o   10.220   2.2540 3.386000 4.507000 
1 1 1   60   16   17 o   9.5660   2.0840 -6.583000 4.169000 
1 1 1   60   16   18 o   11.540   2.2110 0.2630000E-01 4.422000 
1 1 1   60   17    0 o   6.5890   2.9430 -0.000000 0.000000 
1 1 1   60   17    1 o   11.870   2.3270 -0.7247000 4.654000 
1 1 1   60   17    2 o   8.8320   2.2100 4.700000 4.420000 
1 1 1   60   17    3 o   8.8480   2.2210 -4.436000 4.441000 
1 1 1   60   17    4 o   6.4490   2.0510 1.035000 4.103000 
1 1 1   60   17    5 o   8.4900   2.2510 -3.376000 4.503000 
1 1 1   60   17    6 o   9.2520   2.2790 3.460000 4.558000 
1 1 1   60   17    7 o   7.0000   2.1330 -1.609000 4.266000 
1 1 1   60   17    8 o   8.2800   2.2890 2.548000 4.579000 
1 1 1   60   17    9 o   10.750   2.3660 2.392000 4.733000 
1 1 1   60   17   10 o   10.210   2.1150 7.030000 4.229000 
1 1 1   60   17   11 o   14.080   2.1460 -3.146000 4.291000 
1 1 1   60   17   12 o   9.6650   2.4230 -0.9077000 4.846000 
1 1 1   60   17   13 o   15.090   2.0210 -7.694000 4.042000 
1 1 1   60   17   14 o   12.650   2.1990 0.1233000 4.398000 
1 1 1   60   17   15 o   9.8050   2.2270 -4.827000 4.455000 
1 1 1   60   17   16 o   11.090   2.2090 3.398000 4.418000 
1 1 1   60   17   17 o   9.4970   2.8530 -2.313000 5.706000 
1 1 1   60   18    0 o   12.120   3.2130 -0.000000 0.000000 
1 1 1   60   18    1 o   13.860   2.1190 -2.064000 4.238000 
1 1 1   60   18    2 o   11.840   2.3200 -1.586000 4.640000 
1 1 1   60   18    3 o   7.5640   2.1860 3.100000 4.373000 
1 1 1   60   18    4 o   7.1430   2.1760 -0.6723000 4.353000 
1 1 1   60   18    5 o   6.4380   2.0480 -0.7017000E-01 4.096000 
1 1 1   60   18    6 o   6.5120   2.0460 1.296000 4.091000 
1 1 1   60   18    7 o   6.4680   2.0360 -1.574000 4.072000 
1 1 1   60   18    8 o   10.670   2.3130 1.293000 4.626000 
1 1 1   60   18    9 o   7.1600   2.1340 1.903000 4.267000 
1 1 1   60   18   10 o   6.8000   2.0840 2.097000 4.167000 
1 1 1   60   18   11 o   8.3130   2.1350 -4.187000 4.270000 
1 1 1   60   18   12 o   6.7260   2.0640 -1.478000 4.127000 
1 1 1   60   18   13 o   10.940   2.2100 -3.217000 4.420000 
1 1 1   60   18   14 o   8.5640   2.2420 0.2960000 4.483000 
1 1 1   60   19    0 o   5.8850   2.7350 -0.000000 0.000000 
1 1 1   60   19    1 o   7.8310   2.2340 -0.1261000 4.469000 
1 1 1   60   19    2 o   9.8060   2.3500 -0.6939000 4.699000 
1 1 1   60   19    3 o   6.0780   1.9670 1.693000 3.933000 
1 1 1   60   19    4 o   6.4520   2.0470 -0.9457000 4.094000 
1 1 1   60   19    5 o   6.6880   2.0820 -0.1476000 4.164000 
1 1 1   60   19    6 o   8.2620   2.2450 -1.839000 4.489000 
1 1 1   60   19    7 o   8.0670   2.2490 0.1755000 4.498000 
1 1 1   60   19    8 o   6.9790   2.0890 -3.325000 4.178000 
1 1 1   60   19    9 o   8.2030   2.2330 -1.698000 4.466000 
1 1 1   60   19   10 o   8.2670   2.1860 -2.592000 4.372000 
1 1 1   60   19   11 o   10.330   2.2630 2.345000 4.526000 
1 1 1   60   20    0 o   9.2860   3.3260 -0.000000 0.000000 
1 1 1   60   20    1 o   6.9010   2.0910 2.463000 4.181000 
1 1 1   60   20    2 o   10.670   2.2270 -4.739000 4.453000 
1 1 1   60   20    3 o   7.1840   2.0990 -3.610000 4.198000 
1 1 1   60   20    4 o   7.2220   2.1580 0.8305000 4.315000 
1 1 1   60   20    5 o   11.910   2.2020 1.628000 4.404000 
1 1 1   60   20    6 o   8.4370   2.2480 -1.316000 4.496000 
1 1 1   60   20    7 o   9.3670   1.9210 -8.163000 3.843000 
1 1 1   61    0    1 o   58.640   0.9966 -0.000000 0.000000 
1 1 1   61    0    2 o   15.910   1.6600 -0.000000 0.000000 
1 1 1   61    0    3 o   8.0380   2.6900 -0.000000 0.000000 
1 1 1   61    0    4 f   19.380   1.3360 -0.000000 0.000000 
1 1 1   61    0    5 o   74.730   1.1850 -0.000000 0.000000 
1 1 1   61    0    6 o   82.540   1.2820 -0.000000 0.000000 
1 1 1   61    0    7 o   26.990   1.0810 -0.000000 0.000000 
1 1 1   61    0    8 o   26.090   1.0900 -0.000000 0.000000 
1 1 1   61    0    9 o   47.290   0.9337 -0.000000 0.000000 
1 1 1   61    0   10 o   4.5700   2.1580 -0.000000 0.000000 
1 1 1   61    0   11 o   15.090   1.8080 -0.000000 0.000000 
1 1 1   61    0   12 f   16.850   1.6390 -0.000000 0.000000 
1 1 1   61    0   13 o   37.230   0.9860 -0.000000 0.000000 
1 1 1   61    0   14 f   37.530   0.9900 -0.000000 0.000000 
1 1 1   61    0   15 o   24.490   1.2830 -0.000000 0.000000 
1 1 1   61    0   16 f   25.340   1.2760 -0.000000 0.000000 
1 1 1   61    0   17 f   18.860   1.6680 -0.000000 0.000000 
1 1 1   61    0   18 o   29.410   1.2000 -0.000000 0.000000 
1 1 1   61    0   19 o   35.910   1.0760 -0.000000 0.000000 
1 1 1   61    0   20 o   8.9130   3.0060 -0.000000 0.000000 
1 1 1   61    0   21 o   28.640   1.2250 -0.000000 0.000000 
1 1 1   61    0   22 o   7.3690   3.0000 -0.000000 0.000000 
1 1 1   61    0   23 o   14.210   2.4250 -0.000000 0.000000 
1 1 1   61    0   24 o   17.530   1.8900 -0.000000 0.000000 
1 1 1   61    0   25 o   25.810   1.3250 -0.000000 0.000000 
1 1 1   61    0   26 o   25.170   1.3530 -0.000000 0.000000 
1 1 1   61    0   27 o   7.1100   2.8280 -0.000000 0.000000 
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1 1 1   61    0   29 o   5.7120   2.4970 -0.000000 0.000000 
1 1 1   61    1    0 o   38.680   0.7050 -0.000000 0.000000 
1 1 1   61    1    1 o   29.550   0.5463 -3.524000 1.093000 
1 1 1   61    1    2 o   66.770   0.6200 3.201000 1.240000 
1 1 1   61    1    3 o   12.940   1.0820 0.8872000 2.165000 
1 1 1   61    1    4 o   36.950   0.5096 0.5320000 1.019000 
1 1 1   61    1    5 o   22.460   0.6407 -1.962000 1.281000 
1 1 1   61    1    6 o   24.780   0.6018 -0.5731000 1.204000 
1 1 1   61    1    7 f  103.300   0.9017 -0.9599000 1.803000 
1 1 1   61    1    8 o   53.010   0.5460 5.404000 1.092000 
1 1 1   61    1    9 f   30.310   0.6379 1.648000 1.276000 
1 1 1   61    1   10 o   20.360   0.8450 2.015000 1.690000 
1 1 1   61    1   11 o   42.800   0.5893 -0.3853000 1.179000 
1 1 1   61    1   12 o   24.660   0.7197 -2.762000 1.439000 
1 1 1   61    1   13 o   14.980   1.1690 2.438000 2.338000 
1 1 1   61    1   14 o   22.230   0.8293 -1.521000 1.659000 
1 1 1   61    1   15 f   15.600   1.1650 -0.6614000 2.330000 
1 1 1   61    1   16 o   17.460   1.2320 1.077000 2.464000 
1 1 1   61    1   17 o   43.340   0.7086 0.7369000 1.417000 
1 1 1   61    1   18 o   6.9810   1.9960 -1.656000 3.992000 
1 1 1   61    1   19 f   19.540   1.1890 1.704000 2.377000 
1 1 1   61    1   20 o   15.640   1.5310 -0.4113000 3.063000 
1 1 1   61    1   21 o   8.1680   2.1110 -2.062000 4.222000 
1 1 1   61    1   22 o   9.0860   2.2190 -0.9863000E-01 4.437000 
1 1 1   61    1   23 o   6.5460   1.9900 -0.5009000 3.981000 
1 1 1   61    1   24 o   17.050   1.3680 -1.794000 2.735000 
1 1 1   61    1   25 o   19.600   1.1870 1.328000 2.374000 
1 1 1   61    1   26 o   17.040   1.3570 0.7352000 2.714000 
1 1 1   61    1   27 o   7.2570   1.8680 4.537000 3.736000 
1 1 1   61    1   28 o   7.1110   1.8470 -3.727000 3.694000 
1 1 1   61    1   29 f   6.1990   1.8220 1.765000 3.644000 
1 1 1   61    2    0 o   17.810   1.0870 -0.000000 0.000000 
1 1 1   61    2    1 f   44.850   0.5094 0.7409000 1.019000 
1 1 1   61    2    2 o   10.700   1.3120 2.067000 2.624000 
1 1 1   61    2    3 o   24.260   0.6238 -3.431000 1.248000 
1 1 1   61    2    4 o   20.340   0.7047 -1.228000 1.409000 
1 1 1   61    2    5 o   24.870   0.6020 -0.3463000 1.204000 
1 1 1   61    2    6 o   63.300   0.6002 2.068000 1.200000 
1 1 1   61    2    7 o   48.510   0.5313 3.806000 1.063000 
1 1 1   61    2    8 o   42.700   0.5125 1.859000 1.025000 
1 1 1   61    2    9 o   6.3430   1.6290 1.821000 3.259000 
1 1 1   61    2   10 o   13.050   1.1070 1.106000 2.215000 
1 1 1   61    2   11 o   35.100   0.5292 -0.2479000 1.058000 
1 1 1   61    2   12 o   44.480   0.5281 3.677000 1.056000 
1 1 1   61    2   13 o   11.560   1.3630 0.5689000E-01 2.726000 
1 1 1   61    2   14 o   25.090   0.6689 -0.6924000 1.338000 
1 1 1   61    2   15 o   43.370   0.5505 0.1561000 1.101000 
1 1 1   61    2   16 o   24.590   0.7117 -1.622000 1.423000 
1 1 1   61    2   17 o   25.830   0.7151 -1.683000 1.430000 
1 1 1   61    2   18 o   36.160   0.5927 1.251000 1.185000 
1 1 1   61    2   19 o   17.720   1.1670 1.269000 2.333000 
1 1 1   61    2   20 o   28.460   0.7801 -1.659000 1.560000 
1 1 1   61    2   21 o   16.750   1.2510 1.226000 2.502000 
1 1 1   61    2   22 o   6.3540   1.8930 -2.656000 3.786000 
1 1 1   61    2   23 o   17.800   1.2360 1.544000 2.471000 
1 1 1   61    2   24 o   7.4530   1.9540 -1.010000 3.908000 
1 1 1   61    2   25 o   8.8730   2.1180 2.212000 4.237000 
1 1 1   61    2   26 o   6.4670   1.9560 0.1376000 3.912000 
1 1 1   61    2   27 o   8.0480   1.9820 3.405000 3.965000 
1 1 1   61    2   28 o   5.9920   1.8230 1.223000 3.646000 
1 1 1   61    2   29 o   9.2420   1.6500 -6.990000 3.300000 
1 1 1   61    3    0 o   6.0540   2.4500 -0.000000 0.000000 
1 1 1   61    3    1 o   66.060   0.7543 3.118000 1.509000 
1 1 1   61    3    2 o   15.920   1.1250 5.636000 2.251000 
1 1 1   61    3    3 o   47.160   0.6282 -2.014000 1.256000 
1 1 1   61    3    4 o   53.030   0.6630 2.858000 1.326000 
1 1 1   61    3    5 o   37.430   0.6124 -5.244000 1.225000 
1 1 1   61    3    6 o   20.000   0.8623 0.5266000E-02 1.725000 
1 1 1   61    3    7 o   11.800   1.4960 -6.640000 2.993000 
1 1 1   61    3    8 o   42.400   0.6240 5.812000 1.248000 
1 1 1   61    3    9 o   7.4040   1.7710 1.990000 3.542000 
1 1 1   61    3   10 o   38.360   0.6275 -1.348000 1.255000 
1 1 1   61    3   11 o   32.040   0.6707 -4.073000 1.341000 
1 1 1   61    3   12 o   10.940   1.6850 -0.8336000 3.369000 
1 1 1   61    3   13 o   35.620   0.6715 -3.769000 1.343000 
1 1 1   61    3   14 o   18.580   0.9460 -1.268000 1.892000 
1 1 1   61    3   15 o   16.210   1.1100 -0.7328000 2.221000 
1 1 1   61    3   16 o   18.460   1.0020 -1.153000 2.004000 
1 1 1   61    3   17 o   32.820   0.6793 1.903000 1.359000 
1 1 1   61    3   18 o   23.050   0.8910 -4.045000 1.782000 
1 1 1   61    3   19 o   20.880   0.9921 1.705000 1.984000 
1 1 1   61    3   20 o   14.810   1.4770 4.347000 2.954000 
1 1 1   61    3   21 o   18.290   1.0390 -0.1454000 2.078000 
1 1 1   61    3   22 o   23.160   0.8693 -2.968000 1.739000 
1 1 1   61    3   23 o   7.6480   1.6520 5.628000 3.303000 
1 1 1   61    3   24 o   10.950   1.6880 -4.897000 3.376000 
1 1 1   61    3   25 o   9.2150   1.9690 -0.3557000 3.938000 
1 1 1   61    3   26 o   17.660   1.1750 2.529000 2.350000 
1 1 1   61    3   27 o   10.570   1.7440 1.575000 3.488000 
1 1 1   61    3   28 o   8.6830   1.5120 6.666000 3.024000 
1 1 1   61    3   29 o   6.1140   1.7410 -0.3320000 3.482000 
1 1 1   61    4    0 o   18.050   1.3540 -0.000000 0.000000 
1 1 1   61    4    1 o   45.240   0.6377 2.128000 1.275000 
1 1 1   61    4    2 o   65.990   0.7581 1.335000 1.516000 
1 1 1   61    4    3 o   40.050   0.6231 2.490000 1.246000 
1 1 1   61    4    4 o   27.920   0.6838 -2.262000 1.368000 
1 1 1   61    4    5 o   59.350   0.7024 0.1096000E-01 1.405000 
1 1 1   61    4    6 o   85.210   0.9295 4.987000 1.859000 
1 1 1   61    4    7 o   21.200   0.8559 2.194000 1.712000 
1 1 1   61    4    8 o   61.180   0.7220 0.9571000 1.444000 
1 1 1   61    4    9 o   20.820   0.8853 -0.7820000E-01 1.771000 
1 1 1   61    4   10 o   35.140   0.6519 -5.791000 1.304000 
1 1 1   61    4   11 o   26.050   0.7691 -0.8792000E-01 1.538000 
1 1 1   61    4   12 o   25.710   0.7811 -1.761000 1.562000 
1 1 1   61    4   13 o   47.680   0.6723 0.3932000E-01 1.345000 
1 1 1   61    4   14 o   45.160   0.6635 1.483000 1.327000 
1 1 1   61    4   15 o   32.230   0.7196 1.125000 1.439000 
1 1 1   61    4   16 o   18.010   1.1520 -0.9274000 2.305000 
1 1 1   61    4   17 o   26.810   0.8470 -4.234000 1.694000 
1 1 1   61    4   18 o   9.7600   1.9090 -5.439000 3.818000 
1 1 1   61    4   19 o   8.2120   2.0710 1.346000 4.141000 
1 1 1   61    4   20 o   6.3320   1.9120 0.5188000 3.824000 
1 1 1   61    4   21 o   28.640   0.7860 1.127000 1.572000 
1 1 1   61    4   22 o   13.680   1.6940 6.769000 3.388000 
1 1 1   61    4   23 o   22.670   1.0230 4.019000 2.046000 
1 1 1   61    4   24 o   10.060   1.9920 -2.729000 3.984000 
1 1 1   61    4   25 o   6.4970   1.9120 0.9826000E-01 3.823000 
1 1 1   61    4   26 o   6.2550   1.8110 1.167000 3.622000 
1 1 1   61    4   27 o   20.420   0.9796 -0.7606000 1.959000 
1 1 1   61    4   28 o   9.3640   1.7500 -0.3563000 3.499000 
1 1 1   61    4   29 o   8.9460   1.9490 -6.007000 3.897000 
1 1 1   61    5    0 o   22.250   1.1710 -0.000000 0.000000 
1 1 1   61    5    1 o   43.410   0.6338 4.096000 1.268000 
1 1 1   61    5    2 o   41.400   0.6372 2.370000 1.274000 
1 1 1   61    5    3 o   52.020   0.6690 -4.394000 1.338000 
1 1 1   61    5    4 o   21.270   0.8904 4.507000 1.781000 
1 1 1   61    5    5 o   7.6180   1.8390 1.972000 3.678000 
1 1 1   61    5    6 o   14.790   1.2450 0.4592000 2.489000 
1 1 1   61    5    7 o   18.750   1.0010 2.874000 2.003000 
1 1 1   61    5    8 f   18.330   1.0520 -5.723000 2.103000 
1 1 1   61    5    9 o   7.8480   1.8830 0.4087000 3.765000 
1 1 1   61    5   10 o   78.700   0.8771 4.139000 1.754000 
1 1 1   61    5   11 o   7.6840   1.8420 3.317000 3.684000 
1 1 1   61    5   12 o   31.090   0.7270 -3.020000 1.454000 
1 1 1   61    5   13 o   45.720   0.6766 -0.5805000 1.353000 
1 1 1   61    5   14 o   6.9280   1.9270 -0.1733000E-01 3.855000 
1 1 1   61    5   15 o   18.410   1.1770 2.244000 2.355000 
1 1 1   61    5   16 o   19.080   1.1350 0.8546000 2.271000 
1 1 1   61    5   17 o   24.690   0.9370 -2.436000 1.874000 
1 1 1   61    5   18 o   9.6710   1.9630 4.450000 3.926000 
1 1 1   61    5   19 o   9.0170   2.1200 -0.2901000 4.239000 
1 1 1   61    5   20 o   12.590   1.8760 2.819000 3.751000 
1 1 1   61    5   21 o   8.2320   2.1370 -0.2420000 4.274000 
1 1 1   61    5   22 o   8.1920   2.1490 -0.9746000 4.297000 
1 1 1   61    5   23 o   16.510   1.4590 0.4871000 2.917000 
1 1 1   61    5   24 o   16.350   1.4880 -0.3080000 2.976000 
1 1 1   61    5   25 o   11.780   1.9890 -3.170000 3.977000 
1 1 1   61    5   26 o   8.6790   1.9830 -5.473000 3.965000 
1 1 1   61    5   27 o   12.260   1.6700 0.7479000 3.340000 
1 1 1   61    5   28 o   9.0200   1.9540 -2.110000 3.908000 
1 1 1   61    6    0 o   12.110   2.1660 -0.000000 0.000000 
1 1 1   61    6    1 o   23.890   0.8255 3.749000 1.651000 
1 1 1   61    6    2 o   41.160   0.6360 -3.174000 1.272000 
1 1 1   61    6    3 o   18.950   0.9971 4.873000 1.994000 
1 1 1   61    6    4 o   65.530   0.7601 0.8829000 1.520000 
1 1 1   61    6    5 o   24.490   0.8005 1.756000 1.601000 
1 1 1   61    6    6 f   27.700   0.7215 -2.883000 1.443000 
1 1 1   61    6    7 o   23.980   0.8309 -3.360000 1.662000 
1 1 1   61    6    8 o   35.160   0.6717 0.4876000E-01 1.343000 
1 1 1   61    6    9 o   68.310   0.7892 -1.751000 1.578000 
1 1 1   61    6   10 o   27.420   0.7800 -2.245000 1.560000 
1 1 1   61    6   11 o   38.070   0.6826 -1.686000 1.365000 
1 1 1   61    6   12 o   48.410   0.6922 2.896000 1.384000 
1 1 1   61    6   13 o   18.790   1.1040 -0.8320000 2.209000 
1 1 1   61    6   14 o   7.0210   1.9540 0.1930000 3.908000 
1 1 1   61    6   15 o   8.9710   2.0680 1.100000 4.135000 
1 1 1   61    6   16 o   17.150   1.3320 0.3467000 2.664000 
1 1 1   61    6   17 o   16.810   1.3900 3.782000 2.780000 
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1 1 1   61    6   19 o   5.2250   1.7340 0.3390000E-01 3.468000 
1 1 1   61    6   20 o   12.290   1.9560 -3.328000 3.913000 
1 1 1   61    6   21 o   19.390   1.3030 1.838000 2.605000 
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1 1 1   61    6   23 o   9.1850   2.1560 -2.665000 4.311000 
1 1 1   61    6   24 o   14.310   1.7340 -3.131000 3.467000 
1 1 1   61    6   25 o   6.2160   1.9310 0.6155000E-01 3.862000 
1 1 1   61    6   26 o   10.750   2.0180 0.7971000 4.037000 
1 1 1   61    6   27 o   7.1150   1.9780 -3.160000 3.955000 
1 1 1   61    6   28 f   6.0740   1.8820 -0.6320000 3.764000 
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1 1 1   61    7    1 f   23.000   0.8614 -0.2940000 1.723000 
1 1 1   61    7    2 o   58.650   0.7196 0.5393000 1.439000 
1 1 1   61    7    3 o   49.640   0.6715 0.8582000 1.343000 
1 1 1   61    7    4 o   48.750   0.6694 -0.5363000E-02 1.339000 
1 1 1   61    7    5 o   8.4380   1.9410 -1.467000 3.883000 
1 1 1   61    7    6 o   16.330   1.2030 2.271000 2.407000 
1 1 1   61    7    7 o   51.090   0.6853 3.687000 1.371000 
1 1 1   61    7    8 f   21.760   0.9646 -1.599000 1.929000 
1 1 1   61    7    9 o   28.820   0.7683 -1.096000 1.537000 
1 1 1   61    7   10 o   24.160   0.9047 2.338000 1.809000 
1 1 1   61    7   11 o   14.330   1.4980 -0.7072000 2.996000 
1 1 1   61    7   12 o   23.860   0.9448 1.834000 1.890000 
1 1 1   61    7   13 o   39.370   0.7161 0.5234000 1.432000 
1 1 1   61    7   14 o   37.010   0.7370 -1.767000 1.474000 
1 1 1   61    7   15 o   22.980   1.0590 0.3392000 2.119000 
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1 1 1   61    8    2 o   11.580   1.7350 5.316000 3.471000 
1 1 1   61    8    3 f   37.850   0.7013 0.2587000 1.403000 
1 1 1   61    8    4 o   9.7760   1.9180 3.290000 3.836000 
1 1 1   61    8    5 o   6.4530   1.8820 -0.6791000 3.763000 
1 1 1   61    8    6 f   26.480   0.8256 -0.6713000 1.651000 
1 1 1   61    8    7 o   6.8070   1.9340 0.5433000 3.867000 
1 1 1   61    8    8 o   10.910   1.8510 -1.720000 3.702000 
1 1 1   61    8    9 f   6.6900   1.8950 2.493000 3.789000 
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1 1 1   61    8   11 o   14.130   1.6190 7.177000 3.237000 
1 1 1   61    8   12 o   9.7340   2.0310 -1.665000 4.061000 
1 1 1   61    8   13 f   11.260   1.8690 -6.286000 3.738000 
1 1 1   61    8   14 o   29.020   0.8825 -0.9284000 1.765000 
1 1 1   61    8   15 o   14.440   1.7330 0.3133000 3.467000 
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1 1 1   61    8   18 o   12.880   1.9180 8.764000 3.835000 
1 1 1   61    8   19 o   16.090   1.6760 -3.143000 3.351000 
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1 1 1   61    8   24 o   11.130   2.1190 4.608000 4.238000 
1 1 1   61    8   25 o   15.500   1.5440 -1.598000 3.088000 
1 1 1   61    8   26 o   6.8470   2.0110 -1.475000 4.022000 
1 1 1   61    8   27 o   15.220   1.6110 1.810000 3.222000 
1 1 1   61    9    0 o   8.2100   2.8930 -0.000000 0.000000 
1 1 1   61    9    1 o   54.900   0.7243 0.5313000 1.449000 
1 1 1   61    9    2 o   10.610   1.9740 1.853000 3.948000 
1 1 1   61    9    3 o   66.710   0.7998 -3.147000 1.600000 
1 1 1   61    9    4 o   7.8660   1.9610 -3.087000 3.923000 
1 1 1   61    9    5 o   23.720   0.9536 0.5638000 1.907000 
1 1 1   61    9    6 o   6.6600   1.9270 -1.868000 3.853000 
1 1 1   61    9    7 o   60.950   0.7609 -3.505000 1.522000 
1 1 1   61    9    8 o   29.780   0.8182 -1.582000 1.636000 
1 1 1   61    9    9 o   42.610   0.7182 -1.253000 1.436000 
1 1 1   61    9   10 o   21.340   1.0990 3.130000 2.198000 
1 1 1   61    9   11 o   50.830   0.7365 -1.379000 1.473000 
1 1 1   61    9   12 f   28.420   0.9177 -4.109000 1.835000 
1 1 1   61    9   13 o   9.8460   2.1650 1.060000 4.329000 
1 1 1   61    9   14 o   10.290   2.1970 2.322000 4.393000 
1 1 1   61    9   15 o   16.430   1.7240 7.012000 3.449000 
1 1 1   61    9   16 o   9.1210   2.1650 -4.205000 4.329000 
1 1 1   61    9   17 o   8.8930   2.2660 -1.497000 4.533000 
1 1 1   61    9   18 o   31.680   0.9461 -2.643000 1.892000 
1 1 1   61    9   19 o   15.560   1.8890 -4.365000 3.777000 
1 1 1   61    9   20 o   13.890   2.0170 -4.614000 4.035000 
1 1 1   61    9   21 o   14.770   1.8820 0.2723000 3.764000 
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1 1 1   61    9   23 o   7.7970   2.0900 1.959000 4.180000 
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1 1 1   61    9   25 o   9.4320   2.1130 2.684000 4.225000 
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1 1 1   61   10    0 o   24.350   1.3500 -0.000000 0.000000 
1 1 1   61   10    1 o   13.570   1.6710 -0.7694000 3.341000 
1 1 1   61   10    2 o   36.600   0.7486 -1.166000 1.497000 
1 1 1   61   10    3 o   24.950   0.9495 -2.804000 1.899000 
1 1 1   61   10    4 o   27.820   0.8712 -0.3858000 1.742000 
1 1 1   61   10    5 o   18.230   1.2890 1.021000 2.577000 
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1 1 1   61   10    7 o   29.670   0.8803 2.209000 1.761000 
1 1 1   61   10    8 o   14.980   1.6370 -1.002000 3.273000 
1 1 1   61   10    9 o   34.640   0.8208 2.115000 1.642000 
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1 1 1   62    2    1 o   39.680   0.5090 0.3048000 1.018000 
1 1 1   62    2    2 o   40.290   0.5067 -1.358000 1.013000 
1 1 1   62    2    3 o   48.380   0.5306 0.4140000 1.061000 
1 1 1   62    2    4 o   8.2840   1.6270 -0.5358000 3.253000 
1 1 1   62    2    5 o   23.480   0.6377 -1.144000 1.275000 
1 1 1   62    2    6 o   20.410   0.7167 0.4620000 1.433000 
1 1 1   62    2    7 o   16.950   0.8818 -3.339000 1.764000 
1 1 1   62    2    8 o   9.4440   1.4900 2.543000 2.979000 
1 1 1   62    2    9 o   37.830   0.5282 -0.3608000 1.056000 
1 1 1   62    2   10 o   8.4650   1.5990 -3.142000 3.199000 
1 1 1   62    2   11 o   41.030   0.5253 -3.236000 1.051000 
1 1 1   62    2   12 o   30.200   0.5827 -2.418000 1.165000 
1 1 1   62    2   13 f   42.900   0.5445 -0.8156000 1.089000 
1 1 1   62    2   14 o   52.770   0.5704 1.091000 1.141000 
1 1 1   62    2   15 o   34.760   0.5936 1.807000 1.187000 
1 1 1   62    2   16 o   23.560   0.7553 -4.484000 1.511000 
1 1 1   62    2   17 o   43.950   0.5735 0.9331000 1.147000 
1 1 1   62    2   18 o   28.060   0.7941 -4.150000 1.588000 
1 1 1   62    2   19 f   10.100   1.6790 -8.855000 3.358000 
1 1 1   62    2   20 o   40.230   0.6614 -1.809000 1.323000 
1 1 1   62    2   21 o   11.280   1.7970 4.542000 3.594000 
1 1 1   62    2   22 o   26.430   0.8838 1.827000 1.768000 
1 1 1   62    2   23 o   6.4950   1.8590 1.521000 3.717000 
1 1 1   62    2   24 o   8.4810   1.9420 1.711000 3.885000 
1 1 1   62    2   25 o   6.4430   1.9690 -0.5402000 3.938000 
1 1 1   62    2   26 o   16.580   1.4660 -1.259000 2.932000 
1 1 1   62    2   27 o   13.150   1.7080 4.031000 3.417000 
1 1 1   62    2   28 o   9.4540   1.9850 0.9642000E-01 3.970000 
1 1 1   62    2   29 f   10.070   1.8550 3.236000 3.710000 
1 1 1   62    3    0 o   44.510   0.8816 -0.000000 0.000000 
1 1 1   62    3    1 o   23.330   0.7770 -0.3900000 1.554000 
1 1 1   62    3    2 o   58.680   0.7001 0.2743000 1.400000 
1 1 1   62    3    3 o   33.740   0.6356 -0.7711000E-01 1.271000 
1 1 1   62    3    4 o   10.440   1.6210 -3.407000 3.242000 
1 1 1   62    3    5 o   60.310   0.7139 -3.663000 1.428000 
1 1 1   62    3    6 o   39.090   0.6272 -3.869000 1.254000 
1 1 1   62    3    7 o   26.660   0.7158 -0.4826000 1.432000 
1 1 1   62    3    8 o   16.290   1.0760 3.997000 2.152000 
1 1 1   62    3    9 o   18.640   0.9688 -3.035000 1.938000 
1 1 1   62    3   10 o   40.020   0.6405 2.959000 1.281000 
1 1 1   62    3   11 o   36.210   0.6548 -3.386000 1.310000 
1 1 1   62    3   12 o   32.870   0.6892 2.111000 1.378000 
1 1 1   62    3   13 o   18.670   0.9531 0.3190000E-01 1.906000 
1 1 1   62    3   14 o   14.210   1.2620 0.3665000 2.524000 
1 1 1   62    3   15 f   30.470   0.6869 -3.091000 1.374000 
1 1 1   62    3   16 o   35.560   0.6490 0.5028000 1.298000 
1 1 1   62    3   17 o   6.2230   1.8220 -1.240000 3.643000 
1 1 1   62    3   18 o   13.060   1.5680 -1.278000 3.136000 
1 1 1   62    3   19 o   16.250   1.3080 1.983000 2.615000 
1 1 1   62    3   20 o   22.540   0.8548 1.312000 1.710000 
1 1 1   62    3   21 o   4.8320   1.5860 -1.590000 3.173000 
1 1 1   62    3   22 o   16.670   1.1810 -0.7678000 2.361000 
1 1 1   62    3   23 o   20.520   0.9686 3.063000 1.937000 
1 1 1   62    3   24 o   6.2690   1.7790 1.812000 3.559000 
1 1 1   62    3   25 o   4.8380   1.6170 -1.325000 3.234000 
1 1 1   62    3   26 o   6.1440   1.8220 -0.4889000 3.644000 
1 1 1   62    3   27 o   8.8220   1.9000 -2.462000 3.800000 
1 1 1   62    3   28 o   14.100   1.3530 3.708000 2.707000 
1 1 1   62    3   29 o   11.070   1.6080 3.640000 3.217000 
1 1 1   62    4    0 o   9.7280   2.5920 -0.000000 0.000000 
1 1 1   62    4    1 o   19.000   0.9627 -5.243000 1.925000 
1 1 1   62    4    2 o   36.730   0.6342 6.691000 1.268000 
1 1 1   62    4    3 f   24.060   0.7681 0.4015000E-01 1.536000 
1 1 1   62    4    4 o   32.780   0.6551 -4.193000 1.310000 
1 1 1   62    4    5 o   21.360   0.8455 -0.6498000 1.691000 
1 1 1   62    4    6 o   47.060   0.6412 4.125000 1.282000 
1 1 1   62    4    7 o   20.200   0.9228 5.476000 1.846000 
1 1 1   62    4    8 o   9.0610   1.7960 -0.1757000E-01 3.592000 
1 1 1   62    4    9 o   32.060   0.6755 0.5939000 1.351000 
1 1 1   62    4   10 o   8.7370   1.8420 -1.871000 3.683000 
1 1 1   62    4   11 o   37.830   0.6528 -0.6296000 1.306000 
1 1 1   62    4   12 o   7.8880   1.8950 2.177000 3.790000 
1 1 1   62    4   13 o   9.1200   2.7710      ?      ? 
1 1 1   62    4   14 o   23.520   0.8968 -5.600000 1.794000 
1 1 1   62    4   15 o   40.410   0.6854 -1.053000 1.371000 
1 1 1   62    4   16 o   28.940   0.8024 -1.710000 1.605000 
1 1 1   62    4   17 o   47.410   0.7080 1.321000 1.416000 
1 1 1   62    4   18 o   15.480   1.4620 2.447000 2.925000 
1 1 1   62    4   19 o   9.2150   1.9250 5.141000 3.850000 
1 1 1   62    4   20 o   8.4880   1.9970 3.699000 3.995000 
1 1 1   62    4   21 o   10.780   1.8950 1.268000 3.790000 
1 1 1   62    4   22 o   17.300   1.2720 -0.1864000E-01 2.544000 
1 1 1   62    4   23 o   10.490   1.8970 3.386000 3.795000 
1 1 1   62    4   24 o   15.340   1.4690 1.627000 2.939000 
1 1 1   62    4   25 o   9.1830   1.9150 2.841000 3.830000 
1 1 1   62    4   26 f   8.5590   1.8760 2.888000 3.752000 
1 1 1   62    4   27 o   20.260   0.9841 -0.6646000 1.968000 
1 1 1   62    4   28 o   9.7080   1.7340 0.2931000 3.469000 
1 1 1   62    5    0 o   18.190   1.4670 -0.000000 0.000000 
1 1 1   62    5    1 o   38.240   0.6360 -3.847000 1.272000 
1 1 1   62    5    2 f   63.930   0.7480 -1.449000 1.496000 
1 1 1   62    5    3 f   34.640   0.6607 -1.260000 1.321000 
1 1 1   62    5    4 o  103.900   1.1110 -4.938000 2.222000 
1 1 1   62    5    5 o   35.650   0.6562 1.901000 1.312000 
1 1 1   62    5    6 o   63.830   0.7465 -2.173000 1.493000 
1 1 1   62    5    7 o   57.760   0.7071 -4.093000 1.414000 
1 1 1   62    5    8 o   43.840   0.6509 -1.595000 1.302000 
1 1 1   62    5    9 f   51.530   0.6789 -1.906000 1.358000 
1 1 1   62    5   10 o   42.450   0.6656 1.663000 1.331000 
1 1 1   62    5   11 o   18.640   1.0730 2.746000 2.147000 
1 1 1   62    5   12 o   19.430   1.0570 2.048000 2.113000 
1 1 1   62    5   13 o   28.830   0.7801 -0.9434000 1.560000 
1 1 1   62    5   14 o   10.700   1.8080 4.104000 3.615000 
1 1 1   62    5   15 o   52.470   0.7190 0.2661000 1.438000 
1 1 1   62    5   16 o   47.790   0.7096 0.3149000 1.419000 
1 1 1   62    5   17 o   23.040   1.0230 6.835000 2.047000 
1 1 1   62    5   18 o   14.250   1.6640 2.347000 3.328000 
1 1 1   62    5   19 o   7.3080   2.0430 0.6576000 4.087000 
1 1 1   62    5   20 o   11.820   2.0080 1.693000 4.016000 
1 1 1   62    5   21 o   6.7530   2.0350 -0.5298000 4.069000 
1 1 1   62    5   22 o   14.810   1.6900 -3.119000 3.379000 
1 1 1   62    5   23 o   10.870   2.1050 -0.3468000 4.210000 
1 1 1   62    5   24 o   10.490   2.0660 3.090000 4.132000 
1 1 1   62    5   25 o   10.480   1.9340 5.569000 3.868000 
1 1 1   62    5   26 o   11.630   1.8780 -7.050000 3.756000 
1 1 1   62    5   27 o   7.2570   1.9450 -2.900000 3.890000 
1 1 1   62    5   28 o   5.8390   1.7960 -0.9480000 3.592000 
1 1 1   62    6    0 o   45.530   0.9189 -0.000000 0.000000 
1 1 1   62    6    1 o   60.590   0.7301 0.2802000 1.460000 
1 1 1   62    6    2 o   10.750   1.7060 -3.342000 3.413000 
1 1 1   62    6    3 o   51.030   0.6769 -0.1047000 1.354000 
1 1 1   62    6    4 o   36.720   0.6556 -0.8049000 1.311000 
1 1 1   62    6    5 o   28.550   0.7222 -1.321000 1.444000 
1 1 1   62    6    6 o   33.980   0.6709 -3.222000 1.342000 
1 1 1   62    6    7 o   11.550   1.5290 -9.875000 3.058000 
1 1 1   62    6    8 f   18.560   1.0520 2.158000 2.104000 
1 1 1   62    6    9 o   40.520   0.6721 1.107000 1.344000 
1 1 1   62    6   10 o   7.3760   1.9380 1.355000 3.876000 
1 1 1   62    6   11 o   47.140   0.6854 1.326000 1.371000 
1 1 1   62    6   12 o   29.500   0.7916 3.059000 1.583000 
1 1 1   62    6   13 o   9.3590   1.9640 2.412000 3.927000 
1 1 1   62    6   14 o   25.380   0.8790 -1.636000 1.758000 
1 1 1   62    6   15 o   17.390   1.3200 -1.324000 2.641000 
1 1 1   62    6   16 o   10.170   2.0520 1.604000 4.105000 
1 1 1   62    6   17 o   38.370   0.7405 -1.212000 1.481000 
1 1 1   62    6   18 o   13.180   1.8190 0.1289000 3.638000 
1 1 1   62    6   19 o   15.500   2.1660      ?      ? 
1 1 1   62    6   20 o   8.4710   2.1930 -0.4741000 4.385000 
1 1 1   62    6   21 o   9.3850   2.2430 -0.1718000 4.486000 
1 1 1   62    6   22 o   8.8180   2.0730 -4.996000 4.146000 
1 1 1   62    6   23 o   7.6470   2.0090 -4.751000 4.019000 
1 1 1   62    6   24 o   19.080   1.3060 0.4527000 2.611000 
1 1 1   62    6   25 o   10.530   2.0520 3.752000 4.104000 
1 1 1   62    6   26 o   9.6630   1.6890 7.967000 3.378000 
1 1 1   62    6   27 o   9.7810   2.0570 1.669000 4.113000 
1 1 1   62    6   28 o   9.2750   2.1180 -2.930000 4.237000 
1 1 1   62    7    0 o   5.2140   2.3640 -0.000000 0.000000 
1 1 1   62    7    1 o   43.570   0.6665 0.9797000 1.333000 
1 1 1   62    7    2 o   41.370   0.6653 -3.612000 1.331000 
1 1 1   62    7    3 o   26.620   0.8079 1.563000 1.616000 
1 1 1   62    7    4 f   33.960   0.7032 -2.966000 1.406000 
1 1 1   62    7    5 o   13.670   1.4840 -3.072000 2.968000 
1 1 1   62    7    6 o   25.680   0.8229 2.111000 1.646000 
1 1 1   62    7    7 o   46.590   0.6747 -0.1478000 1.349000 
1 1 1   62    7    8 o   25.840   0.8405 -1.014000 1.681000 
1 1 1   62    7    9 o   31.330   0.7519 1.477000 1.504000 
1 1 1   62    7   10 o   43.720   0.6847 0.9612000 1.369000 
1 1 1   62    7   11 o   18.710   1.1390 -0.4129000E-01 2.279000 
1 1 1   62    7   12 o   27.450   0.8519 0.8174000 1.704000 
1 1 1   62    7   13 o   31.100   0.8189 -1.228000 1.638000 
1 1 1   62    7   14 o   21.020   1.1250 0.8234000E-01 2.250000 
1 1 1   62    7   15 o   32.510   0.8492 1.598000 1.698000 
1 1 1   62    7   16 o   30.610   0.8464 1.134000 1.693000 
1 1 1   62    7   17 o   22.360   1.1020 -1.141000 2.203000 
1 1 1   62    7   18 o   26.550   0.9995 -2.920000 1.999000 
1 1 1   62    7   19 o   14.750   1.7980 2.823000 3.595000 
1 1 1   62    7   20 o   7.5230   2.1420 1.353000 4.284000 
1 1 1   62    7   21 o   9.2650   2.2260 2.929000 4.452000 
1 1 1   62    7   22 o   16.390   1.6100 1.431000 3.219000 
1 1 1   62    7   23 o   24.330   1.0650 1.954000 2.129000 
1 1 1   62    7   24 o   11.680   2.1020 -2.751000 4.203000 
1 1 1   62    7   25 o   8.5690   2.0710 -4.879000 4.141000 
1 1 1   62    7   26 o   7.4190   1.9540 4.470000 3.908000 
1 1 1   62    7   27 o   6.9940   2.0020 -0.4644000 4.004000 
1 1 1   62    8    0 o   5.5460   2.4820 -0.000000 0.000000 
1 1 1   62    8    1 o   12.930   1.6850 -2.952000 3.371000 
1 1 1   62    8    2 o   54.140   0.7142 1.003000 1.428000 
1 1 1   62    8    3 o   47.530   0.6956 0.7628000 1.391000 
1 1 1   62    8    4 o   26.200   0.8448 -1.975000 1.690000 
1 1 1   62    8    5 o   40.130   0.6954 1.215000 1.391000 
1 1 1   62    8    6 o   11.990   1.7690 -4.596000 3.539000 
1 1 1   62    8    7 o   63.920   0.7754 0.9301000 1.551000 
1 1 1   62    8    8 o   44.540   0.6920 -2.213000 1.384000 
1 1 1   62    8    9 o   16.940   1.2790 2.287000 2.558000 
1 1 1   62    8   10 o   19.540   1.1040 -1.710000 2.207000 
1 1 1   62    8   11 o   64.800   0.7890 0.3263000 1.578000 
1 1 1   62    8   12 o   25.770   0.9163 0.1881000 1.833000 
1 1 1   62    8   13 o   35.230   0.7697 0.9647000 1.539000 
1 1 1   62    8   14 o   36.220   0.7999 -1.464000 1.600000 
1 1 1   62    8   15 o   10.190   2.1740 -2.644000 4.348000 
1 1 1   62    8   16 o   19.320   1.3350 -2.412000 2.670000 
1 1 1   62    8   17 o   17.000   1.5710 0.4051000 3.142000 
1 1 1   62    8   18 o   6.1570   1.9520 1.808000 3.904000 
1 1 1   62    8   19 o   6.0780   1.9470 1.431000 3.895000 
1 1 1   62    8   20 o   16.840   1.6490 -2.836000 3.297000 
1 1 1   62    8   21 o   13.660   1.9630 -1.874000 3.925000 
1 1 1   62    8   22 o   22.120   1.1910 -0.2594000 2.382000 
1 1 1   62    8   23 o   12.080   2.0550 2.466000 4.109000 
1 1 1   62    8   24 o   9.9060   2.0220 6.821000 4.043000 
1 1 1   62    8   25 o   8.8760   2.1420 -1.977000 4.285000 
1 1 1   62    8   26 o   6.4610   1.9660 -0.6330000 3.931000 
1 1 1   62    8   27 o   10.670   2.3020 2.318000 4.604000 
1 1 1   62    9    0 o   23.020   1.4010 -0.000000 0.000000 
1 1 1   62    9    1 o   75.410   0.8676 -1.262000 1.735000 
1 1 1   62    9    2 o   43.880   0.7146 -0.7245000 1.429000 
1 1 1   62    9    3 o   34.520   0.7470 0.9692000 1.494000 
1 1 1   62    9    4 o   31.730   0.8067 1.690000 1.613000 
1 1 1   62    9    5 o   12.850   1.7620 5.880000 3.523000 
1 1 1   62    9    6 o   19.010   1.1770 -2.569000 2.353000 
1 1 1   62    9    7 o   20.660   1.1160 2.625000 2.232000 
1 1 1   62    9    8 o   37.510   0.7534 2.725000 1.507000 
1 1 1   62    9    9 o   20.230   1.1690 0.4662000E-01 2.339000 
1 1 1   62    9   10 o   11.870   1.8250 6.840000 3.651000 
1 1 1   62    9   11 o   23.290   1.0760 1.144000 2.153000 
1 1 1   62    9   12 o   30.400   0.8951 0.3368000 1.790000 
1 1 1   62    9   13 o   36.990   1.1090      ?      ? 
1 1 1   62    9   14 o   8.2270   2.0910 -4.188000 4.182000 
1 1 1   62    9   15 o   32.500   0.8922 -0.2541000E-01 1.784000 
1 1 1   62    9   16 o   25.070   1.0960 1.031000 2.191000 
1 1 1   62    9   17 o   19.040   1.4680 3.509000 2.935000 
1 1 1   62    9   18 o   11.420   2.3150 -0.5391000 4.630000 
1 1 1   62    9   19 o   25.910   1.1050 -1.097000 2.210000 
1 1 1   62    9   20 o   11.560   2.2160 2.325000 4.432000 
1 1 1   62    9   21 o   15.440   1.8350 -3.449000 3.671000 
1 1 1   62    9   22 o   6.9210   2.1090 1.329000 4.218000 
1 1 1   62    9   23 o   9.2070   1.9520 -7.742000 3.905000 
1 1 1   62    9   24 o   5.5710   1.8190 -0.4423000 3.637000 
1 1 1   62    9   25 o   7.6300   2.0190 2.916000 4.038000 
1 1 1   62    9   26 o   12.070   2.0190 -0.7141000 4.038000 
1 1 1   62   10    0 o   18.590   1.7940 -0.000000 0.000000 
1 1 1   62   10    1 o   20.940   1.1180 2.911000 2.236000 
1 1 1   62   10    2 o   27.740   0.8948 4.330000 1.790000 
1 1 1   62   10    3 o   39.480   0.7566 -0.9985000 1.513000 
1 1 1   62   10    4 o   15.440   1.5200 -2.375000 3.041000 
1 1 1   62   10    5 o   7.7620   2.0880 0.8092000 4.175000 
1 1 1   62   10    6 o   20.880   1.1570 -0.8135000 2.313000 
1 1 1   62   10    7 o   20.880   1.2290 -5.252000 2.459000 
1 1 1   62   10    8 o   14.850   1.6910 -2.209000 3.382000 
1 1 1   62   10    9 o   21.590   1.2010 -3.050000 2.402000 
1 1 1   62   10   10 o   17.490   1.5130 3.104000 3.027000 
1 1 1   62   10   11 o   33.300   0.8709 -1.457000 1.742000 
1 1 1   62   10   12 o   21.570   1.2200 1.227000 2.440000 
1 1 1   62   10   13 o   16.190   1.7480 -6.368000 3.496000 
1 1 1   62   10   14 o   13.600   2.0010 -2.604000 4.001000 
1 1 1   62   10   15 o   18.870   1.5190 -1.942000 3.038000 
1 1 1   62   10   16 o   20.330   1.4730 -4.976000 2.946000 
1 1 1   62   10   17 o   11.410   2.3010 -1.667000 4.602000 
1 1 1   62   10   18 o   12.390   2.2320 1.316000 4.465000 
1 1 1   62   10   19 o   17.530   1.6680 3.446000 3.336000 
1 1 1   62   10   20 o   17.510   1.7580 7.872000 3.517000 
1 1 1   62   10   21 o   6.8060   2.0600 -2.739000 4.120000 
1 1 1   62   10   22 o   8.2490   2.1460 2.437000 4.292000 
1 1 1   62   10   23 o   6.8640   2.0560 0.3426000E-01 4.113000 
1 1 1   62   10   24 o   5.6290   1.8260 -1.909000 3.652000 
1 1 1   62   10   25 o   14.130   1.7900 -4.201000 3.581000 
1 1 1   62   11    0 o   23.450   1.4640 -0.000000 0.000000 
1 1 1   62   11    1 o   23.220   1.0870 3.896000 2.174000 
1 1 1   62   11    2 o   33.390   0.8333 -0.4295000 1.667000 
1 1 1   62   11    3 o   11.250   2.1060 3.428000 4.211000 
1 1 1   62   11    4 f   8.1200   2.1030 2.741000 4.206000 
1 1 1   62   11    5 o   21.460   1.2270 3.051000 2.454000 
1 1 1   62   11    6 o   7.0280   2.0950 0.4054000 4.190000 
1 1 1   62   11    7 o   18.770   1.3980 0.3926000 2.796000 
1 1 1   62   11    8 o   13.730   1.9350 8.045000 3.869000 
1 1 1   62   11    9 o   37.750   0.8310 -0.9285000 1.662000 
1 1 1   62   11   10 o   20.530   1.3140 0.5207000 2.627000 
1 1 1   62   11   11 o   19.040   1.4950 1.341000 2.990000 
1 1 1   62   11   12 o   15.320   1.8930 2.826000 3.787000 
1 1 1   62   11   13 o   10.840   2.2280 5.716000 4.456000 
1 1 1   62   11   14 o   18.840   1.5390 1.929000 3.078000 
1 1 1   62   11   15 o   10.970   2.2710 -4.149000 4.543000 
1 1 1   62   11   16 o   6.8920   2.1410 0.9184000 4.282000 
1 1 1   62   11   17 o   17.140   1.6700 -2.009000 3.341000 
1 1 1   62   11   18 o   8.0420   2.2150 -0.7399000 4.430000 
1 1 1   62   11   19 o   6.6560   2.0330 -2.176000 4.067000 
1 1 1   62   11   20 o   11.140   2.2300 -0.9173000 4.460000 
1 1 1   62   11   21 o   15.720   1.7860 5.056000 3.572000 
1 1 1   62   11   22 o   8.8660   2.2350 0.1314000 4.471000 
1 1 1   62   11   23 f   12.940   1.9340 -1.838000 3.867000 
1 1 1   62   11   24 o   12.140   1.9640 -7.218000 3.928000 
1 1 1   62   12    0 o   15.320   2.4280 -0.000000 0.000000 
1 1 1   62   12    1 o   19.360   1.4100 -2.033000 2.820000 
1 1 1   62   12    2 o   24.190   1.6620      ?      ? 
1 1 1   62   12    3 o   29.170   1.0150 -3.409000 2.030000 
1 1 1   62   12    4 o   8.8090   2.2310 2.975000 4.462000 
1 1 1   62   12    5 o   13.430   2.0730 0.7201000 4.145000 
1 1 1   62   12    6 o   7.7910   2.1640 4.075000 4.328000 
1 1 1   62   12    7 o   28.140   1.0500 0.2790000 2.101000 
1 1 1   62   12    8 o   10.820   2.3100 1.358000 4.620000 
1 1 1   62   12    9 o   9.5350   2.3330 2.103000 4.667000 
1 1 1   62   12   10 o   6.0710   1.9720 -0.5587000 3.944000 
1 1 1   62   12   11 o   16.740   1.8570 0.8078000E-01 3.713000 
1 1 1   62   12   12 o   9.0780   2.3910 0.2853000 4.782000 
1 1 1   62   12   13 o   8.7420   2.3850 0.6334000 4.771000 
1 1 1   62   12   14 o   13.610   2.1980 0.6227000 4.397000 
1 1 1   62   12   15 o   19.370   1.6290 -4.750000 3.258000 
1 1 1   62   12   16 o   24.260   1.2100 1.627000 2.421000 
1 1 1   62   12   17 o   6.1870   1.9940 0.7236000E-01 3.987000 
1 1 1   62   12   18 o   14.140   1.9520 -6.629000 3.904000 
1 1 1   62   12   19 o   8.0940   2.2260 1.561000 4.452000 
1 1 1   62   12   20 o   10.740   2.2000 2.985000 4.401000 
1 1 1   62   12   21 o   8.5310   2.0820 4.333000 4.164000 
1 1 1   62   12   22 o   7.5130   2.1430 0.4127000E-01 4.287000 
1 1 1   62   12   23 o   6.1780   1.9490 -0.8071000 3.898000 
1 1 1   62   13    0 o   8.1030   3.2000 -0.000000 0.000000 
1 1 1   62   13    1 o   10.960   2.3550 -0.2329000E-01 4.711000 
1 1 1   62   13    2 o   9.0210   2.3670 0.6261000 4.734000 
1 1 1   62   13    3 f   14.780   2.0520 5.206000 4.104000 
1 1 1   62   13    4 o   12.080   2.2390 -1.954000 4.478000 
1 1 1   62   13    5 o   31.460   0.9877 -5.391000 1.975000 
1 1 1   62   13    6 o   12.920   2.2940 1.370000 4.589000 
1 1 1   62   13    7 o   13.500   2.1930 -1.907000 4.386000 
1 1 1   62   13    8 o   10.050   2.3550 -4.162000 4.711000 
1 1 1   62   13    9 o   10.780   2.4080 -1.926000 4.816000 
1 1 1   62   13   10 o   21.950   1.4190 5.730000 2.838000 
1 1 1   62   13   11 o   11.110   2.3800 -4.097000 4.759000 
1 1 1   62   13   12 o   20.010   1.6010 2.787000 3.202000 
1 1 1   62   13   13 o   9.9640   2.3960 -1.679000 4.793000 
1 1 1   62   13   14 o   8.5420   2.3110 2.083000 4.622000 
1 1 1   62   13   15 o   9.4280   2.3740 -0.9674000 4.747000 
1 1 1   62   13   16 o   7.0760   2.1440 1.216000 4.287000 
1 1 1   62   13   17 o   7.5500   2.1870 0.5105000 4.375000 
1 1 1   62   13   18 o   9.8540   1.9410 -8.840000 3.882000 
1 1 1   62   13   19 o   12.150   1.9350 -10.04000 3.871000 
1 1 1   62   13   20 o   9.7730   2.2390 -3.869000 4.478000 
1 1 1   62   13   21 o   7.2660   2.1290 -2.545000 4.258000 
1 1 1   62   13   22 o   8.6030   2.2480 -0.8611000 4.496000 
1 1 1   62   14    0 o   18.330   2.4420 -0.000000 0.000000 
1 1 1   62   14    1 o   24.500   1.2960 1.496000 2.593000 
1 1 1   62   14    2 o   8.1440   2.2440 4.618000 4.488000 
1 1 1   62   14    3 o   28.080   1.1510 -1.873000 2.301000 
1 1 1   62   14    4 o   8.3690   2.3880 0.7635000 4.777000 
1 1 1   62   14    5 o   12.720   2.3170 -2.033000 4.634000 
1 1 1   62   14    6 o   10.750   2.4580 -0.6753000 4.916000 
1 1 1   62   14    7 o   15.870   2.0280 1.022000 4.056000 
1 1 1   62   14    8 o   16.850   2.0140 6.399000 4.028000 
1 1 1   62   14    9 f   11.850   2.2830 1.899000 4.565000 
1 1 1   62   14   10 o   12.490   2.2590 0.8272000 4.518000 
1 1 1   62   14   11 o   11.650   2.2330 5.181000 4.466000 
1 1 1   62   14   12 o   9.6230   2.3540 2.592000 4.708000 
1 1 1   62   14   13 o   18.290   1.6260 0.8910000 3.252000 
1 1 1   62   14   14 o   20.890   1.4500 -3.743000 2.900000 
1 1 1   62   14   15 o   9.5170   2.2040 5.475000 4.409000 
1 1 1   62   14   16 o   9.9080   2.3020 3.641000 4.605000 
1 1 1   62   14   17 o   6.8080   2.0900 1.268000 4.180000 
1 1 1   62   14   18 o   8.1040   2.2310 -2.592000 4.462000 
1 1 1   62   14   19 f   6.9140   2.0950 -0.9145000 4.190000 
1 1 1   62   14   20 o   10.660   2.1060 -6.161000 4.212000 
1 1 1   62   14   21 o   8.0400   2.0630 4.541000 4.127000 
1 1 1   62   15    0 o   11.350   3.5370 -0.000000 0.000000 
1 1 1   62   15    1 o   11.890   2.4900 -1.561000 4.981000 
1 1 1   62   15    2 o   14.500   2.2710 -0.7456000 4.543000 
1 1 1   62   15    3 o   7.9260   2.3490 1.129000 4.698000 
1 1 1   62   15    4 o   20.330   1.6170 0.3768000 3.234000 
1 1 1   62   15    5 o   13.160   2.4040 -1.250000 4.807000 
1 1 1   62   15    6 o   12.570   2.1940 5.148000 4.389000 
1 1 1   62   15    7 o   23.350   1.3350 -1.235000 2.670000 
1 1 1   62   15    8 o   31.610   0.9950 -0.2463000 1.990000 
1 1 1   62   15    9 o   11.700   2.3690 0.8193000 4.739000 
1 1 1   62   15   10 o   8.6870   2.3590 -1.419000 4.719000 
1 1 1   62   15   11 o   9.5510   2.4400 1.100000 4.880000 
1 1 1   62   15   12 o   7.5620   2.2380 1.086000 4.477000 
1 1 1   62   15   13 o   9.9570   2.3460 3.392000 4.691000 
1 1 1   62   15   14 o   12.080   2.2120 4.895000 4.425000 
1 1 1   62   15   15 o   11.320   2.2970 2.182000 4.593000 
1 1 1   62   15   16 o   6.9260   2.1360 -0.2821000 4.272000 
1 1 1   62   15   17 o   8.1780   2.2430 0.7184000 4.486000 
1 1 1   62   15   18 o   8.0570   2.1720 2.316000 4.345000 
1 1 1   62   15   19 o   7.0510   2.0680 -2.643000 4.136000 
1 1 1   62   16    0 o   9.4430   3.5350 -0.000000 0.000000 
1 1 1   62   16    1 o   9.6080   2.4020 -4.142000 4.804000 
1 1 1   62   16    2 o   17.000   1.8810 -2.053000 3.761000 
1 1 1   62   16    3 o   11.900   2.3730 -2.883000 4.746000 
1 1 1   62   16    4 o   13.940   2.1830 -1.782000 4.366000 
1 1 1   62   16    5 o   16.300   2.4340      ?      ? 
1 1 1   62   16    6 o   12.140   2.1150 7.514000 4.230000 
1 1 1   62   16    7 o   16.360   1.9430 2.057000 3.887000 
1 1 1   62   16    8 o   8.0030   2.2530 -2.975000 4.507000 
1 1 1   62   16    9 o   8.2280   2.3110 1.512000 4.621000 
1 1 1   62   16   10 o   9.8040   2.2770 4.589000 4.554000 
1 1 1   62   16   11 o   15.120   2.1090 1.718000 4.217000 
1 1 1   62   16   12 o   9.6120   2.3060 4.359000 4.612000 
1 1 1   62   16   13 o   9.4540   2.3920 -1.382000 4.784000 
1 1 1   62   16   14 o   7.3700   2.1940 0.6678000 4.388000 
1 1 1   62   16   15 o   6.3950   2.0420 -0.6467000 4.084000 
1 1 1   62   16   16 o   7.2370   2.1670 -0.1538000 4.334000 
1 1 1   62   16   17 o   8.4580   2.2030 -4.162000 4.406000 
1 1 1   62   16   18 o   9.0810   1.9620 6.742000 3.925000 
1 1 1   62   17    0 o   5.6860   2.6930 -0.000000 0.000000 
1 1 1   62   17    1 o   22.920   1.3120 1.632000 2.624000 
1 1 1   62   17    2 o   11.060   2.1320 7.528000 4.263000 
1 1 1   62   17    3 o   19.350   1.5220 2.766000 3.045000 
1 1 1   62   17    4 o   8.3850   2.2330 3.537000 4.465000 
1 1 1   62   17    5 o   11.450   2.3780 1.656000 4.756000 
1 1 1   62   17    6 o   9.5310   2.3490 3.723000 4.697000 
1 1 1   62   17    7 o   12.250   2.3280 2.804000 4.656000 
1 1 1   62   17    8 o   7.4270   2.2540 -0.5029000 4.509000 
1 1 1   62   17    9 o   8.0830   2.2740 -3.056000 4.548000 
1 1 1   62   17   10 f   9.5480   2.3750 -3.557000 4.750000 
1 1 1   62   17   11 o   8.5030   2.3550 -0.6738000E-02 4.710000 
1 1 1   62   17   12 o   11.380   2.3030 -4.124000 4.606000 
1 1 1   62   17   13 o   8.1930   2.2950 0.9578000 4.590000 
1 1 1   62   17   14 o   6.5490   2.0610 0.9119000 4.123000 
1 1 1   62   17   15 o   6.2740   1.9950 1.597000 3.990000 
1 1 1   62   17   16 f   8.5560   2.2390 -3.816000 4.477000 
1 1 1   62   18    0 o   12.190   3.1630 -0.000000 0.000000 
1 1 1   62   18    1 o   12.400   2.2340 2.136000 4.468000 
1 1 1   62   18    2 o   12.410   2.1980 4.226000 4.396000 
1 1 1   62   18    3 o   10.180   2.2820 -3.887000 4.565000 
1 1 1   62   18    4 o   7.2010   2.1830 -0.1578000 4.367000 
1 1 1   62   18    5 o   8.2410   2.1850 3.886000 4.370000 
1 1 1   62   18    6 o   6.0850   1.9300 -3.427000 3.859000 
1 1 1   62   18    7 o   7.4730   2.1510 2.660000 4.301000 
1 1 1   62   18    8 o   10.750   2.2710 1.958000 4.543000 
1 1 1   62   18    9 o   9.7560   2.1850 5.171000 4.371000 
1 1 1   62   18   10 o   6.6800   2.0720 -0.3826000 4.145000 
1 1 1   62   18   11 f   8.6660   2.2880 1.476000 4.576000 
1 1 1   62   18   12 o   12.790   2.0850 -0.9474000 4.170000 
1 1 1   62   18   13 o   8.1600   2.2350 -0.9907000 4.470000 
1 1 1   62   19    0 o   6.5290   2.9160 -0.000000 0.000000 
1 1 1   62   19    1 o   8.1130   2.1770 -3.646000 4.354000 
1 1 1   62   19    2 o   8.2890   2.2840 0.1849000 4.567000 
1 1 1   62   19    3 o   6.5220   2.0510 -1.611000 4.101000 
1 1 1   62   19    4 o   8.0250   2.2700 0.4760000 4.540000 
1 1 1   62   19    5 o   7.9320   2.2310 1.382000 4.461000 
1 1 1   62   19    6 o   12.920   2.0860 -3.340000 4.172000 
1 1 1   62   19    7 o   8.4400   2.2570 -0.1777000 4.513000 
1 1 1   62   19    8 o   6.6430   2.0430 -1.952000 4.086000 
1 1 1   62   19    9 o   10.420   2.2760 1.787000 4.551000 
1 1 1   62   19   10 f   5.7700   1.8960 0.4041000 3.792000 
1 1 1   62   20    0 o   8.3040   3.2560 -0.000000 0.000000 
1 1 1   62   20    1 o   8.3990   2.2530 3.060000 4.506000 
1 1 1   62   20    2 o   6.3780   2.0070 2.193000 4.014000 
1 1 1   62   20    3 o   7.1530   2.1520 0.4957000 4.305000 
1 1 1   62   20    4 o   8.1300   2.1930 -3.631000 4.386000 
1 1 1   62   20    5 o   8.9180   1.8500 -9.182000 3.700000 
1 1 1   63    0    1 o   33.630   0.9594 -0.000000 0.000000 
1 1 1   63    0    2 o   23.490   1.2250 -0.000000 0.000000 
1 1 1   63    0    3 o   73.520   1.1790 -0.000000 0.000000 
1 1 1   63    0    4 o   11.220   2.4790 -0.000000 0.000000 
1 1 1   63    0    5 o   19.870   1.4510 -0.000000 0.000000 
1 1 1   63    0    6 o   61.450   1.0450 -0.000000 0.000000 
1 1 1   63    0    7 o   30.500   1.0250 -0.000000 0.000000 
1 1 1   63    0    8 o   26.980   1.1160 -0.000000 0.000000 
1 1 1   63    0    9 o   5.4040   2.4320 -0.000000 0.000000 
1 1 1   63    0   10 o   28.140   1.1090 -0.000000 0.000000 
1 1 1   63    0   11 o   37.040   1.0130 -0.000000 0.000000 
1 1 1   63    0   12 o   40.110   0.9803 -0.000000 0.000000 
1 1 1   63    0   13 o   10.480   2.8540 -0.000000 0.000000 
1 1 1   63    0   14 o   6.1470   2.6610 -0.000000 0.000000 
1 1 1   63    0   15 o   21.100   1.5050 -0.000000 0.000000 
1 1 1   63    0   16 o   13.870   2.3750 -0.000000 0.000000 
1 1 1   63    0   17 o   11.550   2.8250 -0.000000 0.000000 
1 1 1   63    0   18 o   33.200   1.1580 -0.000000 0.000000 
1 1 1   63    0   19 o   5.9320   2.6730 -0.000000 0.000000 
1 1 1   63    0   20 o   45.860   1.0440 -0.000000 0.000000 
1 1 1   63    0   21 o   28.110   1.3170 -0.000000 0.000000 
1 1 1   63    0   22 o   21.980   1.6350 -0.000000 0.000000 
1 1 1   63    0   23 o   6.1060   2.7110 -0.000000 0.000000 
1 1 1   63    0   24 o   18.010   1.9040 -0.000000 0.000000 
1 1 1   63    0   25 o   8.1350   3.0270 -0.000000 0.000000 
1 1 1   63    0   26 o   31.920   1.1920 -0.000000 0.000000 
1 1 1   63    0   27 o   9.3680   2.9740 -0.000000 0.000000 
1 1 1   63    0   28 o   8.7990   2.8220 -0.000000 0.000000 
1 1 1   63    0   29 o   9.4480   2.7510 -0.000000 0.000000 
1 1 1   63    1    0 f   34.400   0.7394 -0.000000 0.000000 
1 1 1   63    1    1 o   13.020   1.1540 3.916000 2.308000 
1 1 1   63    1    2 o   54.020   0.5517 -2.756000 1.103000 
1 1 1   63    1    3 o   29.910   0.5614 -3.956000 1.123000 
1 1 1   63    1    4 o   13.830   1.0540 1.762000 2.109000 
1 1 1   63    1    5 o   42.290   0.5201 -0.3287000 1.040000 
1 1 1   63    1    6 o   27.650   0.5972 0.4066000 1.194000 
1 1 1   63    1    7 o   33.270   0.5425 -3.557000 1.085000 
1 1 1   63    1    8 o   17.090   0.8911 -1.941000 1.782000 
1 1 1   63    1    9 o   22.530   0.7855 -2.297000 1.571000 
1 1 1   63    1   10 o   36.360   0.6252 1.874000 1.250000 
1 1 1   63    1   11 o   17.330   1.1180 5.613000 2.235000 
1 1 1   63    1   12 f   29.470   0.6890 -2.736000 1.378000 
1 1 1   63    1   13 o   27.700   0.7130 0.8903000 1.426000 
1 1 1   63    1   14 o   23.390   0.8371 0.5010000 1.674000 
1 1 1   63    1   15 o   13.110   1.7030 -2.134000 3.407000 
1 1 1   63    1   16 o   10.810   2.0080 1.084000 4.016000 
1 1 1   63    1   17 o   28.680   0.8697 1.439000 1.739000 
1 1 1   63    1   18 o   18.810   1.3280 -1.260000 2.656000 
1 1 1   63    1   19 o   8.0580   2.1350 -1.367000 4.269000 
1 1 1   63    1   20 o   7.0250   2.0190 -2.573000 4.039000 
1 1 1   63    1   21 o   43.380   0.7563 -0.6287000 1.513000 
1 1 1   63    1   22 o   11.090   2.1770 1.357000 4.354000 
1 1 1   63    1   23 o   10.150   2.1700 0.1595000 4.341000 
1 1 1   63    1   24 o   12.870   1.8510 1.409000 3.702000 
1 1 1   63    1   25 o   14.400   1.6910 2.046000 3.383000 
1 1 1   63    1   26 o   11.710   1.9980 0.6118000 3.997000 
1 1 1   63    1   27 o   12.020   1.7930 -5.140000 3.585000 
1 1 1   63    1   28 o   5.6550   1.7760 0.5845000 3.551000 
1 1 1   63    1   29 o   13.830   1.5670 -4.412000 3.133000 
1 1 1   63    2    0 o   15.430   1.3480 -0.000000 0.000000 
1 1 1   63    2    1 o   5.9370   1.6310 -0.9956000 3.261000 
1 1 1   63    2    2 o   60.240   0.5853 4.270000 1.171000 
1 1 1   63    2    3 o   40.510   0.5198 -1.113000 1.040000 
1 1 1   63    2    4 o   39.280   0.5236 -2.476000 1.047000 
1 1 1   63    2    5 o   15.160   0.9734 1.873000 1.947000 
1 1 1   63    2    6 o   28.340   0.5792 1.800000 1.158000 
1 1 1   63    2    7 o   57.360   0.5756 2.279000 1.151000 
1 1 1   63    2    8 o   41.050   0.5203 0.5922000 1.041000 
1 1 1   63    2    9 o   38.570   0.5367 4.730000 1.073000 
1 1 1   63    2   10 o   7.7510   1.6710 -2.815000 3.343000 
1 1 1   63    2   11 o   15.610   1.0050 -3.741000 2.010000 
1 1 1   63    2   12 o   22.360   0.7644 3.256000 1.529000 
1 1 1   63    2   13 o   17.930   0.9456 -4.870000 1.891000 
1 1 1   63    2   14 o   17.480   0.9898 -0.2437000 1.980000 
1 1 1   63    2   15 o   38.600   0.5853 1.885000 1.171000 
1 1 1   63    2   16 o   6.5440   1.7790 1.384000 3.557000 
1 1 1   63    2   17 o   10.330   1.6970 -3.401000 3.393000 
1 1 1   63    2   18 o   43.030   0.6648 1.266000 1.330000 
1 1 1   63    2   19 o   4.9530   1.6460 -2.092000 3.292000 
1 1 1   63    2   20 o   10.090   1.9060 1.976000 3.812000 
1 1 1   63    2   21 f   13.400   1.6580 0.6854000 3.316000 
1 1 1   63    2   22 o   11.430   1.8530 -5.116000 3.706000 
1 1 1   63    2   23 o   5.9680   1.8400 -0.6852000 3.680000 
1 1 1   63    2   24 o   12.910   1.6570 1.686000 3.315000 
1 1 1   63    2   25 o   8.8170   2.1050 3.437000 4.211000 
1 1 1   63    2   26 o   8.9770   2.1480 -0.6081000 4.296000 
1 1 1   63    2   27 o   12.380   1.7700 4.269000 3.540000 
1 1 1   63    2   28 o   6.7280   1.8900 -2.254000 3.779000 
1 1 1   63    3    0 o   17.500   1.4130 -0.000000 0.000000 
1 1 1   63    3    1 o   31.460   0.6506 -0.7494000 1.301000 
1 1 1   63    3    2 o   9.4230   1.7600 0.6779000 3.521000 
1 1 1   63    3    3 o   25.470   0.7527 0.2750000 1.505000 
1 1 1   63    3    4 o   38.750   0.6233 0.4007000 1.247000 
1 1 1   63    3    5 o   22.320   0.8402 4.169000 1.680000 
1 1 1   63    3    6 o   31.220   0.6658 1.222000 1.332000 
1 1 1   63    3    7 o   19.590   0.9573 2.609000 1.915000 
1 1 1   63    3    8 o   14.540   1.2530 -3.092000 2.505000 
1 1 1   63    3    9 o   7.5610   1.8660 -0.6380000 3.732000 
1 1 1   63    3   10 o   55.260   0.6898 2.553000 1.380000 
1 1 1   63    3   11 o   24.790   0.8162 -0.6358000 1.632000 
1 1 1   63    3   12 o   26.690   0.7806 -3.543000 1.561000 
1 1 1   63    3   13 o   39.010   0.6193 -1.980000 1.239000 
1 1 1   63    3   14 f   22.600   0.8531 -4.501000 1.706000 
1 1 1   63    3   15 o   35.850   0.6503 2.202000 1.301000 
1 1 1   63    3   16 o   24.670   0.8367 0.3623000 1.673000 
1 1 1   63    3   17 o   14.890   1.3920 0.9804000 2.785000 
1 1 1   63    3   18 o   17.590   1.1770 -4.221000 2.354000 
1 1 1   63    3   19 o   24.920   0.8718 1.618000 1.744000 
1 1 1   63    3   20 o   5.0380   1.6320 -0.7106000 3.263000 
1 1 1   63    3   21 o   16.320   1.2270 3.930000 2.455000 
1 1 1   63    3   22 o   9.3790   1.8770 -3.592000 3.755000 
1 1 1   63    3   23 o   7.2840   1.9210 0.9214000 3.842000 
1 1 1   63    3   24 o   6.5990   1.8670 -0.1031000 3.733000 
1 1 1   63    3   25 o   12.030   1.7720 1.918000 3.545000 
1 1 1   63    3   26 o   22.960   0.9102 1.408000 1.820000 
1 1 1   63    3   27 o   9.0620   1.8250 2.404000 3.650000 
1 1 1   63    3   28 o   11.910   1.5480 2.152000 3.096000 
1 1 1   63    4    0 o   31.630   0.9494 -0.000000 0.000000 
1 1 1   63    4    1 o   43.200   0.6332 0.3910000E-01 1.266000 
1 1 1   63    4    2 o   24.180   0.7664 0.5701000 1.533000 
1 1 1   63    4    3 o   25.460   0.7773 -0.3306000 1.555000 
1 1 1   63    4    4 o   41.300   0.6327 1.184000 1.265000 
1 1 1   63    4    5 o   39.160   0.6362 0.1154000 1.272000 
1 1 1   63    4    6 o   29.940   0.6884 0.4851000 1.377000 
1 1 1   63    4    7 o   19.180   0.9760 1.174000 1.952000 
1 1 1   63    4    8 o   21.660   0.8522 -1.110000 1.704000 
1 1 1   63    4    9 o   24.350   0.7980 1.729000 1.596000 
1 1 1   63    4   10 o   33.290   0.6726 -1.485000 1.345000 
1 1 1   63    4   11 o   51.590   0.6813 0.6456000 1.363000 
1 1 1   63    4   12 o   18.210   1.0990 -3.919000 2.198000 
1 1 1   63    4   13 o   35.830   0.7044 2.072000 1.409000 
1 1 1   63    4   14 o   12.410   1.7040 2.515000 3.407000 
1 1 1   63    4   15 o   32.820   0.7513 -1.361000 1.503000 
1 1 1   63    4   16 o   38.000   0.7230 -2.348000 1.446000 
1 1 1   63    4   17 o   18.170   1.2140 -0.4148000 2.427000 
1 1 1   63    4   18 o   43.050   0.7188 1.114000 1.438000 
1 1 1   63    4   19 o   7.9960   2.1090 -1.148000 4.219000 
1 1 1   63    4   20 o   10.130   2.0500 -3.750000 4.101000 
1 1 1   63    4   21 o   34.340   0.7341 0.5363000 1.468000 
1 1 1   63    4   22 o   12.720   1.7250 -0.6597000E-01 3.450000 
1 1 1   63    4   23 o   8.8700   1.8720 -6.857000 3.743000 
1 1 1   63    4   24 o   7.3770   2.0140 -3.206000 4.029000 
1 1 1   63    4   25 o   10.550   1.8910 2.718000 3.781000 
1 1 1   63    4   26 o   6.9070   1.8590 1.777000 3.718000 
1 1 1   63    4   27 o   5.9840   1.7470 0.5661000 3.495000 
1 1 1   63    4   28 o   8.7860   1.7990 -0.8123000 3.599000 
1 1 1   63    5    0 o   69.870   1.1340 -0.000000 0.000000 
1 1 1   63    5    1 o   23.900   0.8065 1.372000 1.613000 
1 1 1   63    5    2 o   25.640   0.7926 3.955000 1.585000 
1 1 1   63    5    3 o   41.400   0.6465 0.5180000 1.293000 
1 1 1   63    5    4 o   74.370   0.8347 1.268000 1.669000 
1 1 1   63    5    5 o   48.100   0.6615 -2.855000 1.323000 
1 1 1   63    5    6 o   28.720   0.7162 -3.496000 1.432000 
1 1 1   63    5    7 o   31.320   0.7025 -4.537000 1.405000 
1 1 1   63    5    8 f   68.070   0.7841 4.529000 1.568000 
1 1 1   63    5    9 o   53.760   0.6917 0.5047000 1.383000 
1 1 1   63    5   10 o   48.720   0.6764 -3.226000 1.353000 
1 1 1   63    5   11 o   6.9220   1.9250 0.3891000 3.851000 
1 1 1   63    5   12 o   22.870   0.9349 -2.600000 1.870000 
1 1 1   63    5   13 o   30.010   0.7652 0.2058000 1.530000 
1 1 1   63    5   14 o   10.620   1.9280 -2.501000 3.856000 
1 1 1   63    5   15 o   17.630   1.2910 1.045000 2.583000 
1 1 1   63    5   16 o   16.150   1.4160 1.169000 2.832000 
1 1 1   63    5   17 o   9.1090   2.0820 1.932000 4.164000 
1 1 1   63    5   18 o   23.100   1.0460 5.045000 2.091000 
1 1 1   63    5   19 o   25.990   0.9636 0.5806000 1.927000 
1 1 1   63    5   20 o   9.0590   2.1140 3.912000 4.228000 
1 1 1   63    5   21 o   11.700   1.9420 7.061000 3.885000 
1 1 1   63    5   22 o   7.3640   2.9550      ?      ? 
1 1 1   63    5   23 f   13.120   1.8890 1.076000 3.777000 
1 1 1   63    5   24 o   6.2990   1.9480 0.1664000 3.897000 
1 1 1   63    5   25 o   19.490   1.2380 1.179000 2.475000 
1 1 1   63    5   26 o   6.0570   1.8480 -0.8683000 3.695000 
1 1 1   63    5   27 o   6.1560   1.8300 -3.241000 3.661000 
1 1 1   63    5   28 o   4.2500   1.4600 -0.4787000 2.920000 
1 1 1   63    6    0 o   25.950   1.1150 -0.000000 0.000000 
1 1 1   63    6    1 f   55.610   0.7007 1.645000 1.401000 
1 1 1   63    6    2 o   26.250   0.7842 1.481000 1.568000 
1 1 1   63    6    3 o   47.400   0.6640 -1.530000 1.328000 
1 1 1   63    6    4 o   55.290   0.6973 4.341000 1.395000 
1 1 1   63    6    5 o   32.000   0.7096 4.523000 1.419000 
1 1 1   63    6    6 o   12.520   1.5280 1.949000 3.056000 
1 1 1   63    6    7 o   36.840   0.6763 0.5088000 1.353000 
1 1 1   63    6    8 o   11.720   1.6520 0.5579000E-01 3.304000 
1 1 1   63    6    9 o   28.650   0.7610 -1.280000 1.522000 
1 1 1   63    6   10 o   18.660   1.1060 -4.775000 2.212000 
1 1 1   63    6   11 o   21.250   0.9969 0.5965000 1.994000 
1 1 1   63    6   12 o   11.930   1.7600 -5.898000 3.520000 
1 1 1   63    6   13 o   28.270   0.8228 -1.354000 1.646000 
1 1 1   63    6   14 o   16.840   1.4340 5.771000 2.869000 
1 1 1   63    6   15 f   21.190   1.0860 0.8068000 2.173000 
1 1 1   63    6   16 o   26.280   0.9462 1.479000 1.892000 
1 1 1   63    6   17 f   6.7910   2.0000 0.9850000 3.999000 
1 1 1   63    6   18 o   10.340   1.8470 -7.834000 3.694000 
1 1 1   63    6   19 o   10.260   2.1560 1.137000 4.311000 
1 1 1   63    6   20 o   28.590   0.9587 4.850000 1.917000 
1 1 1   63    6   21 o   13.190   1.9580 -0.6202000 3.916000 
1 1 1   63    6   22 o   22.930   1.1120 1.108000 2.225000 
1 1 1   63    6   23 o   7.5630   2.1130 -1.154000 4.226000 
1 1 1   63    6   24 o   11.740   2.0500 1.231000 4.101000 
1 1 1   63    6   25 o   9.3510   2.2020 -1.563000 4.404000 
1 1 1   63    6   26 o   11.630   1.9670 3.095000 3.934000 
1 1 1   63    6   27 o   8.4460   1.9590 4.082000 3.919000 
1 1 1   63    7    0 o   16.580   1.6530 -0.000000 0.000000 
1 1 1   63    7    1 o   13.480   1.5480 4.107000 3.096000 
1 1 1   63    7    2 o   16.890   1.1710 -0.2218000 2.342000 
1 1 1   63    7    3 o   43.130   0.6714 -2.686000 1.343000 
1 1 1   63    7    4 o   28.400   0.7761 -0.4833000 1.552000 
1 1 1   63    7    5 o   50.690   0.6924 0.5521000 1.385000 
1 1 1   63    7    6 o   7.4140   1.8960 -2.955000 3.793000 
1 1 1   63    7    7 o   51.750   0.6954 0.3020000 1.391000 
1 1 1   63    7    8 o   15.620   1.3010 -0.1083000 2.602000 
1 1 1   63    7    9 o   15.600   1.3500 -2.111000 2.699000 
1 1 1   63    7   10 o   28.250   0.8093 -3.566000 1.619000 
1 1 1   63    7   11 o   27.370   0.8415 -0.9161000 1.683000 
1 1 1   63    7   12 o   20.670   1.0770 0.4784000E-01 2.154000 
1 1 1   63    7   13 o   8.8840   2.0960 2.701000 4.192000 
1 1 1   63    7   14 o   37.500   0.7653 -3.647000 1.531000 
1 1 1   63    7   15 o   31.470   0.8643 1.248000 1.729000 
1 1 1   63    7   16 o   27.090   0.9643 -1.486000 1.929000 
1 1 1   63    7   17 o   6.6470   1.9900 -2.544000 3.979000 
1 1 1   63    7   18 o   14.820   1.7850 -2.883000 3.570000 
1 1 1   63    7   19 o   16.990   1.5900 2.882000 3.180000 
1 1 1   63    7   20 o   15.770   1.7040 0.6614000 3.407000 
1 1 1   63    7   21 o   10.630   2.2410 -1.325000 4.483000 
1 1 1   63    7   22 o   8.0170   2.1100 3.251000 4.219000 
1 1 1   63    7   23 o   14.460   1.7510 -2.057000 3.502000 
1 1 1   63    7   24 o   11.750   2.1110 2.381000 4.223000 
1 1 1   63    7   25 o   11.730   3.0360      ?      ? 
1 1 1   63    7   26 o   11.940   2.0260 -3.609000 4.053000 
1 1 1   63    7   27 o   10.690   2.0890 1.114000 4.178000 
1 1 1   63    8    0 o   5.1370   2.3550 -0.000000 0.000000 
1 1 1   63    8    1 o   17.610   1.1550 -2.040000 2.309000 
1 1 1   63    8    2 o   34.970   0.7212 -3.130000 1.442000 
1 1 1   63    8    3 o   43.080   0.6977 1.064000 1.395000 
1 1 1   63    8    4 o   15.830   1.3190 -0.5781000 2.639000 
1 1 1   63    8    5 o   31.230   0.7584 1.221000 1.517000 
1 1 1   63    8    6 o   39.130   0.7077 1.108000 1.415000 
1 1 1   63    8    7 o   10.630   1.9600 -2.357000 3.920000 
1 1 1   63    8    8 o   42.540   0.6969 1.754000 1.394000 
1 1 1   63    8    9 f   15.080   1.5710 -6.697000 3.141000 
1 1 1   63    8   10 o   10.850   1.9440 -3.417000 3.887000 
1 1 1   63    8   11 o   20.100   1.1690 -1.360000 2.338000 
1 1 1   63    8   12 f   10.160   2.0730 2.622000 4.146000 
1 1 1   63    8   13 o   38.060   0.7685 0.6061000 1.537000 
1 1 1   63    8   14 f   19.990   1.2740 -1.770000 2.548000 
1 1 1   63    8   15 o   9.8680   2.1490 -3.851000 4.297000 
1 1 1   63    8   16 o   20.410   1.2410 0.2486000 2.482000 
1 1 1   63    8   17 o   30.400   0.9622 -0.3620000 1.924000 
1 1 1   63    8   18 o   9.5350   2.3030 -1.141000 4.605000 
1 1 1   63    8   19 o   22.020   1.2450 -1.219000 2.491000 
1 1 1   63    8   20 o   5.8140   1.8910 -1.779000 3.782000 
1 1 1   63    8   21 o   17.400   1.5430 1.912000 3.086000 
1 1 1   63    8   22 o   17.310   1.5530 -1.381000 3.105000 
1 1 1   63    8   23 f   10.900   2.1980 0.8540000 4.396000 
1 1 1   63    8   24 o   6.3360   1.9930 1.164000 3.986000 
1 1 1   63    8   25 o   7.9310   2.0400 4.507000 4.080000 
1 1 1   63    8   26 o   6.0900   1.9110 -1.719000 3.823000 
1 1 1   63    9    0 o   47.560   0.9996 -0.000000 0.000000 
1 1 1   63    9    1 o   40.100   0.7290 -0.1682000E-01 1.458000 
1 1 1   63    9    2 o   34.370   0.7666 1.680000 1.533000 
1 1 1   63    9    3 o   30.060   0.8375 -2.658000 1.675000 
1 1 1   63    9    4 o   50.580   0.7320 1.316000 1.464000 
1 1 1   63    9    5 o   45.690   0.7155 -1.613000 1.431000 
1 1 1   63    9    6 o   13.210   1.7270 3.373000 3.455000 
1 1 1   63    9    7 f   26.140   0.9251 3.204000 1.850000 
1 1 1   63    9    8 o   18.720   1.2300 1.480000 2.460000 
1 1 1   63    9    9 o   34.710   0.7939 0.2146000E-01 1.588000 
1 1 1   63    9   10 o   11.610   1.8970 6.213000 3.793000 
1 1 1   63    9   11 o   38.600   0.7761 -2.521000 1.552000 
1 1 1   63    9   12 o   8.7950   2.1780 -1.073000 4.355000 
1 1 1   63    9   13 o   10.700   2.0860 4.099000 4.171000 
1 1 1   63    9   14 o   18.970   1.3750 -0.2316000 2.750000 
1 1 1   63    9   15 o   11.710   2.0650 5.892000 4.131000 
1 1 1   63    9   16 o   9.8260   2.2770 1.904000 4.554000 
1 1 1   63    9   17 o   11.860   2.2290 1.322000 4.459000 
1 1 1   63    9   18 o   20.590   1.3870 -1.097000 2.774000 
1 1 1   63    9   19 o   22.060   1.2980 -0.3411000E-01 2.595000 
1 1 1   63    9   20 o   13.930   2.0280 -5.900000 4.056000 
1 1 1   63    9   21 o   17.160   1.7310 4.924000 3.462000 
1 1 1   63    9   22 o   7.8940   2.2220 0.9307000 4.445000 
1 1 1   63    9   23 o   8.8250   2.2240 2.689000 4.448000 
1 1 1   63    9   24 o   9.3930   1.8710 -8.050000 3.742000 
1 1 1   63    9   25 o   7.3760   2.0270 2.442000 4.054000 
1 1 1   63    9   26 o   9.8910   2.1610 -4.954000 4.322000 
1 1 1   63   10    0 o   48.180   1.0370 -0.000000 0.000000 
1 1 1   63   10    1 o   26.650   0.9515 -0.3926000 1.903000 
1 1 1   63   10    2 o   32.980   0.8215 0.8581000 1.643000 
1 1 1   63   10    3 o   24.450   1.0160 1.569000 2.033000 
1 1 1   63   10    4 o   53.980   0.7517 1.408000 1.503000 
1 1 1   63   10    5 o   19.970   1.2430 6.443000 2.486000 
1 1 1   63   10    6 o   31.060   0.8487 0.1218000 1.697000 
1 1 1   63   10    7 f   21.030   1.1720 0.4469000 2.344000 
1 1 1   63   10    8 o   31.370   0.8870 0.8061000 1.774000 
1 1 1   63   10    9 o   32.440   0.8626 0.5090000 1.725000 
1 1 1   63   10   10 o   35.910   0.8445 -1.900000 1.689000 
1 1 1   63   10   11 o   18.250   1.4890 -0.8134000 2.978000 
1 1 1   63   10   12 o   24.710   1.0920 0.2047000 2.185000 
1 1 1   63   10   13 o   15.840   1.7360 -0.7072000 3.471000 
1 1 1   63   10   14 o   33.060   0.9170 -0.6681000 1.834000 
1 1 1   63   10   15 o   23.820   1.2280 -0.2890000E-01 2.456000 
1 1 1   63   10   16 o   15.160   1.9440 0.1998000 3.887000 
1 1 1   63   10   17 o   9.0510   2.3350 1.723000 4.669000 
1 1 1   63   10   18 o   9.9590   2.2880 3.486000 4.575000 
1 1 1   63   10   19 o   22.420   1.3340 -4.536000 2.668000 
1 1 1   63   10   20 o   14.550   2.0320 -2.781000 4.063000 
1 1 1   63   10   21 o   24.920   1.0910 1.249000 2.182000 
1 1 1   63   10   22 o   7.5630   2.0270 -5.222000 4.053000 
1 1 1   63   10   23 o   7.5920   2.1870 -0.4500000 4.374000 
1 1 1   63   10   24 o   7.6910   2.1210 0.6218000 4.241000 
1 1 1   63   10   25 o   9.7600   2.2060 0.2314000 4.412000 
1 1 1   63   11    0 o   11.480   2.9830 -0.000000 0.000000 
1 1 1   63   11    1 o   48.720   0.7679 2.542000 1.536000 
1 1 1   63   11    2 f   31.340   0.8964 1.904000 1.793000 
1 1 1   63   11    3 o   15.230   1.7200 -4.070000 3.439000 
1 1 1   63   11    4 o   25.450   1.0330 1.991000 2.066000 
1 1 1   63   11    5 o   24.770   1.0910 1.906000 2.182000 
1 1 1   63   11    6 o   16.810   1.6000 -3.341000 3.201000 
1 1 1   63   11    7 f   21.260   1.2820 1.655000 2.563000 
1 1 1   63   11    8 o   23.030   1.1620 0.1681000 2.324000 
1 1 1   63   11    9 o   28.650   0.9954 1.963000 1.991000 
1 1 1   63   11   10 o   8.7590   2.1370 -4.310000 4.275000 
1 1 1   63   11   11 o   17.590   1.6270 2.229000 3.253000 
1 1 1   63   11   12 f   20.320   1.4550 -0.5798000 2.910000 
1 1 1   63   11   13 o   38.280   1.2130      ?      ? 
1 1 1   63   11   14 o   7.2690   2.1950 0.5576000E-01 4.390000 
1 1 1   63   11   15 o   12.880   2.2690 0.8864000 4.538000 
1 1 1   63   11   16 o   9.4360   2.3720 -2.151000 4.744000 
1 1 1   63   11   17 o   8.0570   2.2840 -1.767000 4.568000 
1 1 1   63   11   18 o   11.190   2.0710 7.985000 4.143000 
1 1 1   63   11   19 o   21.180   1.3050 -2.848000 2.609000 
1 1 1   63   11   20 o   11.900   1.9960 -7.580000 3.991000 
1 1 1   63   11   21 o   9.8970   2.2480 1.092000 4.495000 
1 1 1   63   11   22 o   11.700   2.1090 -2.486000 4.218000 
1 1 1   63   11   23 o   9.9240   2.1210 3.046000 4.242000 
1 1 1   63   11   24 o   9.3950   2.1950 1.770000 4.389000 
1 1 1   63   12    0 o   19.520   2.0100 -0.000000 0.000000 
1 1 1   63   12    1 o   6.7460   2.0120 -3.741000 4.024000 
1 1 1   63   12    2 o   22.520   1.2880 -0.6422000 2.576000 
1 1 1   63   12    3 o   19.230   1.4340 1.071000 2.868000 
1 1 1   63   12    5 f   10.460   2.2730 3.074000 4.547000 
1 1 1   63   12    6 o   14.320   1.9570 4.887000 3.914000 
1 1 1   63   12    7 f   8.8620   2.3470 -0.5130000 4.693000 
1 1 1   63   12    8 o   19.240   1.4880 3.303000 2.977000 
1 1 1   63   12    9 o   10.460   3.3810      ?      ? 
1 1 1   63   12   10 o   6.7450   2.1170 0.1185000 4.234000 
1 1 1   63   12   11 o   19.350   1.5580 1.859000 3.116000 
1 1 1   63   12   12 o   7.8260   2.2820 1.502000 4.565000 
1 1 1   63   12   13 o   18.980   1.6190 -1.604000 3.238000 
1 1 1   63   12   14 o   19.020   1.5980 1.699000 3.195000 
1 1 1   63   12   15 o   7.3400   2.2320 2.284000 4.463000 
1 1 1   63   12   16 o   19.300   1.5520 5.790000 3.104000 
1 1 1   63   12   17 o   13.930   2.0050 -3.003000 4.010000 
1 1 1   63   12   18 o   16.900   1.6370 3.347000 3.273000 
1 1 1   63   12   19 o   11.210   2.2530 -1.605000 4.507000 
1 1 1   63   12   20 o   8.4410   2.2130 2.357000 4.426000 
1 1 1   63   12   21 o   8.9840   2.1880 2.228000 4.376000 
1 1 1   63   12   22 o   9.4000   2.1070 3.745000 4.213000 
1 1 1   63   12   23 o   5.1870   1.7450 -0.3261000 3.491000 
1 1 1   63   13    0 o   11.310   3.3860 -0.000000 0.000000 
1 1 1   63   13    1 o   31.920   1.0090 -1.447000 2.018000 
1 1 1   63   13    2 o   33.260   0.9709 0.3129000 1.942000 
1 1 1   63   13    3 o   11.430   2.3620 0.8729000 4.724000 
1 1 1   63   13    4 f   9.1720   2.3760 2.298000 4.752000 
1 1 1   63   13    5 o   23.720   1.3310 -3.486000 2.661000 
1 1 1   63   13    6 o   13.900   2.1190 -6.277000 4.239000 
1 1 1   63   13    7 o   16.180   1.9480 -0.6469000 3.896000 
1 1 1   63   13    8 o   8.0240   2.2560 -2.445000 4.511000 
1 1 1   63   13    9 o   23.540   1.3390 -2.231000 2.678000 
1 1 1   63   13   10 o   15.420   2.0720 3.938000 4.145000 
1 1 1   63   13   11 o   13.380   2.2720 -2.929000 4.543000 
1 1 1   63   13   12 o   12.190   2.1160 -9.346000 4.231000 
1 1 1   63   13   13 o   14.380   2.0340 -5.475000 4.068000 
1 1 1   63   13   14 o   9.1910   2.3560 0.7038000 4.712000 
1 1 1   63   13   15 o   13.920   2.1260 -0.9602000 4.253000 
1 1 1   63   13   16 o   15.040   1.9210 -3.642000 3.841000 
1 1 1   63   13   17 o   10.190   2.3000 -0.9892000 4.600000 
1 1 1   63   13   18 o   7.1430   2.1490 -0.6245000 4.299000 
1 1 1   63   13   19 o   7.9770   2.1930 -2.739000 4.386000 
1 1 1   63   13   20 o   15.180   1.8250 0.1683000 3.650000 
1 1 1   63   13   21 o   9.6420   2.2490 1.490000 4.499000 
1 1 1   63   13   22 o   10.280   2.0680 -6.891000 4.136000 
1 1 1   63   14    0 f   23.300   1.9580 -0.000000 0.000000 
1 1 1   63   14    1 o   14.680   2.1090 -5.769000 4.218000 
1 1 1   63   14    2 f   32.960   1.0440 0.2236000 2.089000 
1 1 1   63   14    3 o   15.710   2.0870 3.910000 4.173000 
1 1 1   63   14    4 o   10.850   2.3160 6.209000 4.632000 
1 1 1   63   14    5 o   7.3180   2.1990 -2.968000 4.397000 
1 1 1   63   14    6 o   7.5350   2.2880 0.4637000 4.576000 
1 1 1   63   14    7 o   24.580   1.3360 -3.613000 2.673000 
1 1 1   63   14    8 o   14.910   2.1780 -1.029000 4.357000 
1 1 1   63   14    9 o   15.440   2.1570 -4.791000 4.315000 
1 1 1   63   14   10 o   11.190   2.3250 -2.961000 4.649000 
1 1 1   63   14   11 o   8.7280   2.3370 2.030000 4.674000 
1 1 1   63   14   12 o   9.1420   2.3840 0.9949000 4.768000 
1 1 1   63   14   13 o   21.300   1.4190 -4.582000 2.839000 
1 1 1   63   14   14 o   7.0530   2.1780 0.8806000E-01 4.357000 
1 1 1   63   14   15 o   7.8260   2.2410 -3.322000 4.483000 
1 1 1   63   14   16 o   8.6860   2.3330 -2.520000 4.665000 
1 1 1   63   14   17 f   8.2510   2.2630 1.193000 4.527000 
1 1 1   63   14   18 f   9.0010   2.2780 -1.749000 4.556000 
1 1 1   63   14   19 o   9.1650   2.2700 0.6725000 4.540000 
1 1 1   63   14   20 o   6.8530   2.9100      ?      ? 
1 1 1   63   14   21 o   12.220   2.9960 3.691000 5.993000 
1 1 1   63   15    0 o   7.6090   3.2640 -0.000000 0.000000 
1 1 1   63   15    1 o   9.2500   2.4460 2.429000 4.891000 
1 1 1   63   15    2 o   7.7600   2.3270 1.373000 4.655000 
1 1 1   63   15    3 o   12.580   2.4340 -0.2325000 4.868000 
1 1 1   63   15    4 o   9.8340   2.4780 2.827000 4.956000 
1 1 1   63   15    5 o   16.550   1.9880 0.9329000 3.975000 
1 1 1   63   15    6 o   21.790   1.3770 -1.281000 2.754000 
1 1 1   63   15    7 o   16.200   1.9410 -1.032000 3.881000 
1 1 1   63   15    8 o   7.6560   2.2360 -2.644000 4.472000 
1 1 1   63   15    9 o   7.6820   2.2350 -3.060000 4.469000 
1 1 1   63   15   10 o   9.9130   2.3910 2.355000 4.782000 
1 1 1   63   15   11 o   14.060   2.1930 0.5690000 4.386000 
1 1 1   63   15   12 o   11.140   2.4140 1.479000 4.828000 
1 1 1   63   15   13 o   12.390   2.3460 -0.8159000 4.692000 
1 1 1   63   15   14 o   7.5500   2.2450 -2.152000 4.490000 
1 1 1   63   15   15 o   10.060   2.2960 -3.869000 4.592000 
1 1 1   63   15   16 o   8.7770   2.2630 -2.541000 4.527000 
1 1 1   63   15   17 o   9.0090   2.2540 2.216000 4.508000 
1 1 1   63   15   18 o   7.8290   2.1870 -2.811000 4.374000 
1 1 1   63   15   19 o   9.4700   2.2760 -0.9270000 4.552000 
1 1 1   63   16    0 o   7.2880   3.1900 -0.000000 0.000000 
1 1 1   63   16    1 o   8.2060   2.3830 -0.2109000 4.767000 
1 1 1   63   16    2 o   7.1890   2.1180 3.248000 4.236000 
1 1 1   63   16    3 f   16.140   1.9960 2.547000 3.993000 
1 1 1   63   16    4 o   11.380   2.4290 0.6707000 4.858000 
1 1 1   63   16    5 o   15.270   1.9970 -2.408000 3.994000 
1 1 1   63   16    6 f   21.560   1.4160 -1.616000 2.832000 
1 1 1   63   16    7 f   6.8460   2.1600 -0.5013000 4.319000 
1 1 1   63   16    8 o   12.190   2.3070 -2.196000 4.614000 
1 1 1   63   16    9 f   10.830   2.3860 2.588000 4.772000 
1 1 1   63   16   10 o   12.980   2.3110 -0.4823000 4.623000 
1 1 1   63   16   11 f   10.160   2.2190 5.927000 4.438000 
1 1 1   63   16   12 o   18.020   1.8470 6.775000 3.693000 
1 1 1   63   16   13 o   13.280   2.2360 1.391000 4.473000 
1 1 1   63   16   14 o   6.7520   2.0910 1.208000 4.182000 
1 1 1   63   16   15 o   9.3360   1.9520 7.669000 3.904000 
1 1 1   63   16   16 o   8.3700   1.8940 7.523000 3.789000 
1 1 1   63   16   17 o   6.6100   2.0110 2.212000 4.022000 
1 1 1   63   17    0 o   8.7220   3.3070 -0.000000 0.000000 
1 1 1   63   17    1 o   8.1360   2.2580 2.407000 4.515000 
1 1 1   63   17    2 o   15.520   1.9320 -0.5977000 3.864000 
1 1 1   63   17    3 o   12.540   2.2140 -1.254000 4.427000 
1 1 1   63   17    4 o   12.500   2.3980 2.055000 4.795000 
1 1 1   63   17    5 o   7.8340   2.3140 -0.3546000 4.628000 
1 1 1   63   17    6 o   7.1590   2.2050 0.5860000 4.409000 
1 1 1   63   17    7 o   8.7640   2.4130 -1.128000 4.827000 
1 1 1   63   17    8 o   12.740   2.2520 4.232000 4.503000 
1 1 1   63   17    9 o   7.4050   2.2420 -0.7613000 4.484000 
1 1 1   63   17   10 o   14.840   2.0490 4.248000 4.099000 
1 1 1   63   17   11 f   13.260   2.2380 2.032000 4.476000 
1 1 1   63   17   12 o   13.180   2.1980 0.1215000 4.397000 
1 1 1   63   17   13 o   11.780   2.3450 -1.405000 4.691000 
1 1 1   63   17   14 o   7.3870   2.1950 0.9444000 4.391000 
1 1 1   63   17   15 o   8.2620   2.1990 3.339000 4.399000 
1 1 1   63   18    0 f   7.7760   3.1810 -0.000000 0.000000 
1 1 1   63   18    1 o   9.5790   2.3440 2.407000 4.689000 
1 1 1   63   18    2 o   10.020   2.3810 -0.2869000E-01 4.763000 
1 1 1   63   18    3 o   8.9570   2.3550 -0.6855000 4.710000 
1 1 1   63   18    4 o   17.930   1.6070 0.8377000 3.215000 
1 1 1   63   18    5 o   7.3820   2.1390 -3.250000 4.278000 
1 1 1   63   18    6 o   12.280   2.1580 4.452000 4.315000 
1 1 1   63   18    7 o   9.5330   2.1720 4.907000 4.345000 
1 1 1   63   18    8 o   6.9320   2.1080 -0.5305000E-02 4.217000 
1 1 1   63   18    9 o   15.130   1.8550 -0.4828000 3.711000 
1 1 1   63   18   10 o   6.5400   2.0390 1.410000 4.079000 
1 1 1   63   18   11 o   12.310   2.0490 -7.143000 4.098000 
1 1 1   63   18   12 o   7.0020   2.1480 1.195000 4.296000 
1 1 1   63   18   13 o   6.9780   2.1200 2.278000 4.240000 
1 1 1   63   19    0 o   8.4720   3.2610 -0.000000 0.000000 
1 1 1   63   19    1 o   6.8800   2.1060 -1.880000 4.213000 
1 1 1   63   19    2 o   11.740   2.2940 0.4131000 4.588000 
1 1 1   63   19    3 o   8.2650   2.2000 -4.802000 4.400000 
1 1 1   63   19    4 f   7.7530   2.2220 0.9321000 4.445000 
1 1 1   63   19    5 o   7.8530   2.1790 2.918000 4.359000 
1 1 1   63   19    6 f   7.8200   2.1580 2.726000 4.316000 
1 1 1   63   19    7 o   9.0830   2.1960 3.972000 4.392000 
1 1 1   63   19    8 o   10.310   2.2030 3.556000 4.406000 
1 1 1   63   19    9 o   6.5950   2.0370 -1.127000 4.074000 
1 1 1   63   20    0 o   11.660   3.2630 -0.000000 0.000000 
1 1 1   63   20    1 o   6.5600   2.0510 -1.735000 4.103000 
1 1 1   63   20    2 o   7.2890   2.1560 2.137000 4.313000 
1 1 1   63   20    3 o   7.6200   2.2010 1.639000 4.402000 
1 1 1   63   20    4 o   10.400   2.9150 1.272000 5.829000 
1 1 1   64    0    0 o   11.890   3.3360 -0.000000 0.000000 
1 1 1   64    0    1 o   47.880   0.9558 -0.000000 0.000000 
1 1 1   64    0    2 o   42.190   0.9310 -0.000000 0.000000 
1 1 1   64    0    3 o   85.620   1.3330 -0.000000 0.000000 
1 1 1   64    0    4 o   42.370   0.9540 -0.000000 0.000000 
1 1 1   64    0    5 o   35.550   0.9682 -0.000000 0.000000 
1 1 1   64    0    6 o   6.7050   2.6620 -0.000000 0.000000 
1 1 1   64    0    7 o   35.520   0.9711 -0.000000 0.000000 
1 1 1   64    0    8 o   85.400   1.3300 -0.000000 0.000000 
1 1 1   64    0    9 o   70.240   1.1510 -0.000000 0.000000 
1 1 1   64    0   10 o   12.990   2.3800 -0.000000 0.000000 
1 1 1   64    0   11 o   18.600   1.6660 -0.000000 0.000000 
1 1 1   64    0   12 f   59.580   1.0650 -0.000000 0.000000 
1 1 1   64    0   13 o   6.0220   2.6350 -0.000000 0.000000 
1 1 1   64    0   14 o   13.190   2.5240 -0.000000 0.000000 
1 1 1   64    0   15 o   17.930   1.7960 -0.000000 0.000000 
1 1 1   64    0   16 o   6.8210   2.8290 -0.000000 0.000000 
1 1 1   64    0   17 o   36.010   1.1190 -0.000000 0.000000 
1 1 1   64    0   18 f   5.3750   2.5060 -0.000000 0.000000 
1 1 1   64    0   19 o   13.230   2.6750 -0.000000 0.000000 
1 1 1   64    0   20 o   19.950   1.7070 -0.000000 0.000000 
1 1 1   64    0   21 o   33.920   1.1540 -0.000000 0.000000 
1 1 1   64    0   22 o   6.4860   2.8250 -0.000000 0.000000 
1 1 1   64    0   23 o   13.850   2.5910 -0.000000 0.000000 
1 1 1   64    0   24 o   9.7980   2.9720 -0.000000 0.000000 
1 1 1   64    0   25 o   9.0970   3.0230 -0.000000 0.000000 
1 1 1   64    0   26 o   7.1680   2.9340 -0.000000 0.000000 
1 1 1   64    0   27 o   11.230   2.6690 -0.000000 0.000000 
1 1 1   64    0   28 o   13.420   2.1920 -0.000000 0.000000 
1 1 1   64    1    0 o   89.790   1.1250 -0.000000 0.000000 
1 1 1   64    1    1 o   58.180   0.5765 -4.954000 1.153000 
1 1 1   64    1    2 o   62.080   0.5994 -0.5122000 1.199000 
1 1 1   64    1    3 o   31.580   0.5608 3.232000 1.122000 
1 1 1   64    1    4 o   43.680   0.5248 3.566000 1.050000 
1 1 1   64    1    5 o   14.860   1.1090 5.091000 2.217000 
1 1 1   64    1    6 o   30.200   0.5663 -0.8856000 1.133000 
1 1 1   64    1    7 o   38.610   0.5174 0.8619000E-01 1.035000 
1 1 1   64    1    8 o   72.760   0.7537 -2.190000 1.507000 
1 1 1   64    1    9 o   6.5580   1.6850 2.592000 3.369000 
1 1 1   64    1   10 f   26.830   0.7167 -2.093000 1.433000 
1 1 1   64    1   11 o   43.160   0.6175 0.6070000 1.235000 
1 1 1   64    1   12 o   23.910   0.8126 -3.365000 1.625000 
1 1 1   64    1   13 o   53.500   0.6476 -1.201000 1.295000 
1 1 1   64    1   14 o   56.480   0.6618 -1.897000 1.324000 
1 1 1   64    1   15 o   36.930   0.7456 -1.676000 1.491000 
1 1 1   64    1   16 o   14.600   1.6650 3.166000 3.330000 
1 1 1   64    1   17 o   23.930   1.0350 -1.434000 2.069000 
1 1 1   64    1   18 o   10.380   2.1690 2.153000 4.339000 
1 1 1   64    1   19 o   29.450   0.9025 -1.605000 1.805000 
1 1 1   64    1   20 o   27.760   0.9418 3.633000 1.884000 
1 1 1   64    1   21 o   28.780   0.9458 -2.772000 1.892000 
1 1 1   64    1   22 o   9.5000   2.0650 -5.305000 4.131000 
1 1 1   64    1   23 o   12.910   1.9240 -3.128000 3.849000 
1 1 1   64    1   24 o   10.700   2.0500 -1.902000 4.099000 
1 1 1   64    1   25 f   14.130   1.7510 -6.325000 3.502000 
1 1 1   64    1   26 o   6.6680   2.0100 0.4103000 4.019000 
1 1 1   64    1   27 f   8.3620   2.0040 3.030000 4.009000 
1 1 1   64    1   28 o   8.3880   2.0130 0.9047000E-01 4.027000 
1 1 1   64    2    0 o   32.080   0.7728 -0.000000 0.000000 
1 1 1   64    2    1 o   16.630   0.8982 2.178000 1.796000 
1 1 1   64    2    2 o   20.600   0.7163 -0.8308000 1.433000 
1 1 1   64    2    3 o   44.090   0.5258 -6.355000 1.052000 
1 1 1   64    2    4 f   52.570   0.5523 -4.865000 1.105000 
1 1 1   64    2    5 o   60.110   0.5928 -2.186000 1.186000 
1 1 1   64    2    6 o   14.380   1.0900 4.085000 2.180000 
1 1 1   64    2    7 o   48.290   0.5374 -2.495000 1.075000 
1 1 1   64    2    8 o   15.800   0.9381 -1.209000 1.876000 
1 1 1   64    2    9 o   43.460   0.5324 -0.5885000 1.065000 
1 1 1   64    2   10 o   36.850   0.5455 -1.445000 1.091000 
1 1 1   64    2   11 o   14.630   1.1060 1.925000 2.212000 
1 1 1   64    2   12 o   14.300   1.1900 2.378000 2.381000 
1 1 1   64    2   13 o   29.160   0.6269 0.9370000 1.254000 
1 1 1   64    2   14 o   11.900   1.4950 -3.023000 2.991000 
1 1 1   64    2   15 o   9.3250   1.8010 -1.682000 3.603000 
1 1 1   64    2   16 o   8.6100   1.8860 -0.9945000 3.771000 
1 1 1   64    2   17 o   31.270   0.6602 2.761000 1.320000 
1 1 1   64    2   18 o   35.370   0.7030 -1.013000 1.406000 
1 1 1   64    2   19 o   19.840   1.0820 -3.788000 2.164000 
1 1 1   64    2   20 o   26.740   0.8486 -3.239000 1.697000 
1 1 1   64    2   21 o   7.8590   1.9030 2.898000 3.806000 
1 1 1   64    2   22 o   9.1700   2.0080 1.294000 4.016000 
1 1 1   64    2   23 o   12.440   1.7510 2.096000 3.502000 
1 1 1   64    2   24 o   10.100   1.8530 3.623000 3.705000 
1 1 1   64    2   25 o   15.370   1.5870 -2.002000 3.174000 
1 1 1   64    2   26 o   10.670   1.7840 9.056000 3.567000 
1 1 1   64    2   27 o   7.8080   1.9100 4.040000 3.820000 
1 1 1   64    2   28 f   11.710   1.8130 -2.151000 3.626000 
1 1 1   64    3    0 o   5.6570   2.4130 -0.000000 0.000000 
1 1 1   64    3    1 o   20.400   0.9584 -8.739000 1.917000 
1 1 1   64    3    2 o   38.950   0.6317 0.1376000 1.263000 
1 1 1   64    3    3 o   43.860   0.6402 -0.8858000 1.280000 
1 1 1   64    3    4 o   28.970   0.7041 -1.529000 1.408000 
1 1 1   64    3    5 o   69.810   0.7933 -2.999000 1.587000 
1 1 1   64    3    6 o   21.920   0.8522 -0.6418000 1.704000 
1 1 1   64    3    7 o   14.230   1.3070 -2.937000 2.614000 
1 1 1   64    3    8 o   7.7090   1.7830 3.377000 3.566000 
1 1 1   64    3    9 o   16.670   1.1140 -4.419000 2.228000 
1 1 1   64    3   10 o   20.590   0.9182 -0.8877000 1.836000 
1 1 1   64    3   11 o   8.9940   1.8720 -3.231000 3.745000 
1 1 1   64    3   12 f   52.420   0.6297 2.950000 1.259000 
1 1 1   64    3   13 o   38.220   0.6302 -2.758000 1.260000 
1 1 1   64    3   14 o   22.840   0.8632 0.1676000 1.726000 
1 1 1   64    3   15 o   29.710   0.7365 -0.8377000 1.473000 
1 1 1   64    3   16 f   32.070   0.7036 -0.4709000 1.407000 
1 1 1   64    3   17 o   28.200   0.7915 2.339000 1.583000 
1 1 1   64    3   18 o   25.770   0.8555 3.049000 1.711000 
1 1 1   64    3   19 o   15.780   1.2600 -3.603000 2.519000 
1 1 1   64    3   20 o   33.600   0.6549 -3.171000 1.310000 
1 1 1   64    3   21 o   16.570   1.1960 -2.832000 2.393000 
1 1 1   64    3   22 o   18.760   1.0820 -1.332000 2.165000 
1 1 1   64    3   23 o   7.4100   1.9480 0.2367000 3.896000 
1 1 1   64    3   24 o   9.3480   1.8440 -6.717000 3.688000 
1 1 1   64    3   25 o   16.460   1.3200 1.090000 2.639000 
1 1 1   64    3   26 o   11.420   1.7310 -0.2280000E-01 3.463000 
1 1 1   64    3   27 o   7.1740   1.8870 -0.7877000E-01 3.774000 
1 1 1   64    3   28 o   9.3920   1.8190 -2.266000 3.638000 
1 1 1   64    4    0 o   10.730   2.2990 -0.000000 0.000000 
1 1 1   64    4    1 o   10.840   1.5370 8.957000 3.075000 
1 1 1   64    4    2 o   59.110   0.7170 -4.746000 1.434000 
1 1 1   64    4    3 o   49.490   0.6550 3.461000 1.310000 
1 1 1   64    4    4 o   81.910   0.9028 -3.156000 1.806000 
1 1 1   64    4    5 o   56.330   0.6954 -3.263000 1.391000 
1 1 1   64    4    6 o   77.810   0.8631 0.9877000 1.726000 
1 1 1   64    4    7 o   35.100   0.6638 -5.822000 1.328000 
1 1 1   64    4    8 o   58.150   0.7135 0.6581000 1.427000 
1 1 1   64    4    9 o   23.900   0.8512 2.681000 1.702000 
1 1 1   64    4   10 o   22.780   0.8785 1.930000 1.757000 
1 1 1   64    4   11 o   18.570   1.0690 -1.314000 2.139000 
1 1 1   64    4   12 o   38.140   0.6828 -4.116000 1.366000 
1 1 1   64    4   13 o   6.7780   1.8910 1.627000 3.782000 
1 1 1   64    4   14 o   66.840   0.7960 -0.7791000 1.592000 
1 1 1   64    4   15 o   43.860   0.7037 0.2757000 1.407000 
1 1 1   64    4   16 f   29.220   0.8473 2.422000 1.695000 
1 1 1   64    4   17 o   24.630   0.9564 -0.6593000 1.913000 
1 1 1   64    4   18 o   35.230   0.7690 0.7994000 1.538000 
1 1 1   64    4   19 o   23.060   1.0570 0.1761000 2.114000 
1 1 1   64    4   20 o   17.460   1.2720 -0.4468000 2.545000 
1 1 1   64    4   21 o   8.0430   1.9450 2.867000 3.890000 
1 1 1   64    4   22 o   15.860   1.4780 -8.539000 2.955000 
1 1 1   64    4   23 o   12.700   1.8240 3.105000 3.648000 
1 1 1   64    4   24 o   8.5150   2.0340 0.1231000 4.069000 
1 1 1   64    4   25 o   11.860   1.7470 -6.341000 3.493000 
1 1 1   64    4   26 o   17.170   1.2040 -2.304000 2.408000 
1 1 1   64    4   27 o   7.1160   1.8550 -1.531000 3.711000 
1 1 1   64    4   28 o   9.4010   1.7710 1.607000 3.543000 
1 1 1   64    5    0 o   33.390   0.9872 -0.000000 0.000000 
1 1 1   64    5    1 o   8.5030   1.8900 -0.7780000 3.780000 
1 1 1   64    5    2 o   42.320   0.6538 0.4648000 1.308000 
1 1 1   64    5    3 f   32.810   0.6811 1.871000 1.362000 
1 1 1   64    5    4 o   57.920   0.7151 1.417000 1.430000 
1 1 1   64    5    5 o   56.850   0.7087 -1.807000 1.417000 
1 1 1   64    5    6 o   15.690   1.2200 0.8492000 2.441000 
1 1 1   64    5    7 o   59.810   0.7267 -0.1883000 1.453000 
1 1 1   64    5    8 o   36.070   0.6865 3.646000 1.373000 
1 1 1   64    5    9 o   22.770   0.9099 -0.1855000 1.820000 
1 1 1   64    5   10 o   17.570   1.1980 4.154000 2.395000 
1 1 1   64    5   11 o   22.300   0.9482 0.6902000E-01 1.896000 
1 1 1   64    5   12 o   28.880   0.8003 4.004000 1.601000 
1 1 1   64    5   13 o   13.010   1.6430 -0.2234000 3.287000 
1 1 1   64    5   14 o   30.490   0.8011 0.5220000 1.602000 
1 1 1   64    5   15 o   56.290   0.7492 -0.8718000 1.498000 
1 1 1   64    5   16 o   45.800   0.7262 2.228000 1.452000 
1 1 1   64    5   17 o   37.580   0.7543 -1.104000 1.509000 
1 1 1   64    5   18 o   9.2740   2.1600 -0.3776000 4.319000 
1 1 1   64    5   19 o   11.980   2.0000 -2.931000 4.001000 
1 1 1   64    5   20 o   16.810   1.4790 -0.9911000 2.959000 
1 1 1   64    5   21 o   7.4450   2.1160 -0.3027000 4.233000 
1 1 1   64    5   22 o   15.110   1.6850 -0.9321000 3.369000 
1 1 1   64    5   23 o   10.600   2.1120 -2.833000 4.224000 
1 1 1   64    5   24 o   11.050   1.8840 -7.923000 3.768000 
1 1 1   64    5   25 o   6.6840   2.0010 -1.649000 4.002000 
1 1 1   64    5   26 o   6.8540   1.8910 -4.561000 3.782000 
1 1 1   64    5   27 o   6.9200   1.9230 0.1639000 3.845000 
1 1 1   64    5   28 o   10.120   3.4010      ?      ? 
1 1 1   64    6    0 o   10.530   2.6010 -0.000000 0.000000 
1 1 1   64    6    1 o   39.860   0.6650 -0.3587000 1.330000 
1 1 1   64    6    2 o   54.470   0.6971 -0.3521000 1.394000 
1 1 1   64    6    3 o   19.220   1.0440 -0.9076000E-01 2.089000 
1 1 1   64    6    4 o   32.070   0.7120 -0.5609000 1.424000 
1 1 1   64    6    5 f   29.250   0.7555 -6.589000 1.511000 
1 1 1   64    6    6 o   37.870   0.6712 0.5223000 1.342000 
1 1 1   64    6    7 o   9.3640   1.9050 -2.972000 3.810000 
1 1 1   64    6    8 o   19.280   1.1480 7.387000 2.295000 
1 1 1   64    6    9 o   54.930   0.7090 1.175000 1.418000 
1 1 1   64    6   10 o   36.820   0.7048 -0.3074000 1.410000 
1 1 1   64    6   11 o   61.250   0.7528 0.4265000 1.506000 
1 1 1   64    6   12 o   39.730   0.7067 -1.668000 1.413000 
1 1 1   64    6   13 o   11.160   1.9160 -1.380000 3.832000 
1 1 1   64    6   14 f   35.840   0.7815 -1.869000 1.563000 
1 1 1   64    6   15 o   34.470   0.8026 -1.035000 1.605000 
1 1 1   64    6   16 o   14.750   1.6980 -3.353000 3.395000 
1 1 1   64    6   17 o   23.350   1.0650 -0.8563000 2.130000 
1 1 1   64    6   18 o   23.170   1.0840 1.180000 2.169000 
1 1 1   64    6   19 o   11.210   2.1100 -1.161000 4.219000 
1 1 1   64    6   20 o   12.950   1.9270 6.401000 3.854000 
1 1 1   64    6   21 o   12.250   2.0330 2.597000 4.066000 
1 1 1   64    6   22 o   18.840   1.3570 -2.346000 2.714000 
1 1 1   64    6   23 o   10.210   2.1450 -2.755000 4.290000 
1 1 1   64    6   24 o   20.250   1.2610 -5.068000 2.523000 
1 1 1   64    6   25 o   9.1230   2.1760 -2.537000 4.353000 
1 1 1   64    6   26 o   17.140   1.4100 -1.877000 2.819000 
1 1 1   64    6   27 o   20.040   1.2160 0.5551000 2.432000 
1 1 1   64    7    1 o   8.9220   1.9530 -1.417000 3.905000 
1 1 1   64    7    2 o   20.800   0.9910 -3.049000 1.982000 
1 1 1   64    7    3 o   8.2560   1.9600 1.338000 3.920000 
1 1 1   64    7    4 o   32.090   0.7397 0.5009000 1.479000 
1 1 1   64    7    5 o   42.810   0.6912 -1.856000 1.382000 
1 1 1   64    7    6 o   14.840   1.5020 -8.038000 3.004000 
1 1 1   64    7    7 o   54.580   0.7191 -0.3117000 1.438000 
1 1 1   64    7    8 o   10.620   1.8720 2.575000 3.745000 
1 1 1   64    7    9 o   14.790   1.5880 -8.456000 3.176000 
1 1 1   64    7   10 o   44.490   0.7050 3.622000 1.410000 
1 1 1   64    7   11 o   35.020   0.7407 0.5306000E-02 1.481000 
1 1 1   64    7   12 o   42.330   0.7197 -2.083000 1.439000 
1 1 1   64    7   13 o   40.190   0.7423 2.258000 1.485000 
1 1 1   64    7   14 o   28.680   0.8939 -0.7860000 1.788000 
1 1 1   64    7   15 o   34.170   0.8456 -0.6868000 1.691000 
1 1 1   64    7   16 o   28.930   0.9044 0.7136000 1.809000 
1 1 1   64    7   17 o   26.690   0.9985 2.091000 1.997000 
1 1 1   64    7   18 o   21.550   1.2250 -0.3323000 2.450000 
1 1 1   64    7   19 o   9.4120   2.1940 3.442000 4.388000 
1 1 1   64    7   20 o   12.330   2.1150 -1.902000 4.230000 
1 1 1   64    7   21 o   10.510   2.1570 -4.603000 4.315000 
1 1 1   64    7   22 o   16.180   1.5940 -1.803000 3.188000 
1 1 1   64    7   23 o   18.950   1.3430 -2.783000 2.686000 
1 1 1   64    7   24 o   7.6890   2.1670 0.6928000 4.333000 
1 1 1   64    7   25 o   7.1010   2.0640 -1.431000 4.128000 
1 1 1   64    7   26 o   13.770   1.8570 3.497000 3.713000 
1 1 1   64    7   27 o   9.2760   2.1870 2.127000 4.373000 
1 1 1   64    8    0 o   31.480   1.0700 -0.000000 0.000000 
1 1 1   64    8    1 o   15.780   1.3690 0.3828000 2.739000 
1 1 1   64    8    2 o   33.600   0.7458 -0.5242000 1.492000 
1 1 1   64    8    3 o   15.580   1.3430 -0.4527000 2.686000 
1 1 1   64    8    4 o   49.430   0.7044 -1.289000 1.409000 
1 1 1   64    8    5 o   18.930   1.5880      ?      ? 
1 1 1   64    8    6 o   49.390   0.7132 -0.3069000 1.426000 
1 1 1   64    8    7 f   34.580   0.7555 -2.655000 1.511000 
1 1 1   64    8    8 o   27.380   0.8660 -3.655000 1.732000 
1 1 1   64    8    9 o   8.8770   2.0560 -2.635000 4.111000 
1 1 1   64    8   10 o   30.630   0.8112 1.243000 1.622000 
1 1 1   64    8   11 o   24.540   1.0090 2.796000 2.018000 
1 1 1   64    8   12 o   50.740   0.7393 2.039000 1.479000 
1 1 1   64    8   13 o   28.040   0.9397 -0.8352000 1.879000 
1 1 1   64    8   14 o   28.170   0.9500 -3.616000 1.900000 
1 1 1   64    8   15 f   11.270   2.0780 4.860000 4.155000 
1 1 1   64    8   16 o   7.8370   2.1290 -3.614000 4.258000 
1 1 1   64    8   17 o   23.840   1.1920 -3.138000 2.384000 
1 1 1   64    8   18 o   33.360   0.9062 4.050000 1.812000 
1 1 1   64    8   19 o   35.350   0.8751 -5.038000 1.750000 
1 1 1   64    8   20 o   19.430   1.4180 -0.1248000 2.835000 
1 1 1   64    8   21 f   11.250   2.1180 4.741000 4.237000 
1 1 1   64    8   22 o   15.560   1.7500 -0.8331000 3.500000 
1 1 1   64    8   23 o   8.0310   2.1210 3.679000 4.242000 
1 1 1   64    8   24 f   9.0030   2.2490 -0.7406000 4.497000 
1 1 1   64    8   25 o   9.5500   2.2280 0.2472000 4.455000 
1 1 1   64    8   26 f   6.9860   1.9600 1.920000 3.919000 
1 1 1   64    9    0 o   22.590   1.4740 -0.000000 0.000000 
1 1 1   64    9    1 o   10.490   2.0050 -3.235000 4.010000 
1 1 1   64    9    2 o   25.400   0.9394 -0.2530000 1.879000 
1 1 1   64    9    3 o   35.080   0.7677 -0.1040000 1.535000 
1 1 1   64    9    4 o   38.550   0.7495 -0.3104000 1.499000 
1 1 1   64    9    5 o   70.620   0.8316 3.226000 1.663000 
1 1 1   64    9    6 o   36.800   0.7566 5.003000 1.513000 
1 1 1   64    9    7 o   30.380   0.8453 -0.6922000 1.691000 
1 1 1   64    9    8 o   32.920   0.8040 -1.145000 1.608000 
1 1 1   64    9    9 o   5.8880   1.8450 -2.347000 3.689000 
1 1 1   64    9   10 o   28.510   0.9123 2.496000 1.825000 
1 1 1   64    9   11 o   31.810   0.8710 0.7808000 1.742000 
1 1 1   64    9   12 o   12.380   2.0020 4.838000 4.004000 
1 1 1   64    9   13 o   16.610   1.6240 -5.223000 3.247000 
1 1 1   64    9   14 o   7.0370   2.0110 3.548000 4.021000 
1 1 1   64    9   15 o   9.5530   2.1560 5.196000 4.313000 
1 1 1   64    9   16 o   14.990   1.8690 -3.814000 3.738000 
1 1 1   64    9   17 o   13.740   2.0630 0.6213000 4.127000 
1 1 1   64    9   18 o   19.020   1.5060 -1.814000 3.011000 
1 1 1   64    9   19 o   17.920   1.6010 2.469000 3.202000 
1 1 1   64    9   20 o   7.3210   2.1530 -2.222000 4.306000 
1 1 1   64    9   21 o   18.570   1.5580 2.212000 3.115000 
1 1 1   64    9   22 o   8.0760   2.1150 -4.679000 4.230000 
1 1 1   64    9   23 f   8.5980   2.2690 -1.157000 4.539000 
1 1 1   64    9   24 o   5.7600   1.8560 -0.3835000 3.712000 
1 1 1   64    9   25 o   8.4690   2.0180 4.065000 4.037000 
1 1 1   64   10    0 o   15.460   2.2240 -0.000000 0.000000 
1 1 1   64   10    1 o   13.160   1.8700 0.6383000 3.739000 
1 1 1   64   10    2 o   33.730   0.8033 -2.314000 1.607000 
1 1 1   64   10    3 o   25.990   0.9799 4.027000 1.960000 
1 1 1   64   10    4 o   25.760   0.9760 1.103000 1.952000 
1 1 1   64   10    5 o   15.960   1.5570 -2.663000 3.114000 
1 1 1   64   10    6 o   30.810   0.8646 -1.082000 1.729000 
1 1 1   64   10    7 o   23.000   1.0970 -2.006000 2.195000 
1 1 1   64   10    8 f   23.790   1.0940 -0.1754000 2.187000 
1 1 1   64   10    9 o   30.260   0.9236 -1.036000 1.847000 
1 1 1   64   10   10 o   8.2740   2.1150 4.486000 4.230000 
1 1 1   64   10   11 o   17.670   1.5510 2.815000 3.103000 
1 1 1   64   10   12 o   19.850   1.3880 3.295000 2.776000 
1 1 1   64   10   13 o   15.120   1.8460 -2.820000 3.692000 
1 1 1   64   10   14 o   6.4640   2.0450 0.6682000 4.091000 
1 1 1   64   10   15 o   13.620   2.1140 1.588000 4.228000 
1 1 1   64   10   16 o   17.270   1.7040 -0.4137000E-01 3.409000 
1 1 1   64   10   17 o   22.090   1.3230 0.4264000 2.647000 
1 1 1   64   10   18 o   19.590   1.4600 1.408000 2.920000 
1 1 1   64   10   19 o   10.910   2.2530 4.370000 4.506000 
1 1 1   64   10   20 o   11.640   2.1820 5.695000 4.364000 
1 1 1   64   10   21 o   10.390   2.3560 -2.493000 4.712000 
1 1 1   64   10   22 o   8.1800   2.1930 1.314000 4.386000 
1 1 1   64   10   23 o   5.8220   1.8750 0.2910000 3.750000 
1 1 1   64   10   24 o   9.9000   2.1610 2.295000 4.322000 
1 1 1   64   10   25 o   9.4970   2.1040 6.938000 4.207000 
1 1 1   64   11    0 o   5.3580   2.5100 -0.000000 0.000000 
1 1 1   64   11    1 o   13.060   1.9000 6.195000 3.800000 
1 1 1   64   11    2 o   15.090   1.7100 1.102000 3.420000 
1 1 1   64   11    3 o   9.8320   2.1870 -3.648000 4.374000 
1 1 1   64   11    4 o   14.670   1.8600 1.133000 3.719000 
1 1 1   64   11    5 o   6.9060   2.0140 -3.143000 4.028000 
1 1 1   64   11    6 o   28.830   0.9763 1.623000 1.953000 
1 1 1   64   11    7 o   21.830   1.2750 4.067000 2.550000 
1 1 1   64   11    8 o   8.1870   2.2300 -1.053000 4.459000 
1 1 1   64   11    9 o   23.480   1.2020 -1.458000 2.405000 
1 1 1   64   11   10 o   13.190   2.0420 -6.099000 4.084000 
1 1 1   64   11   11 o   14.400   2.0200 1.129000 4.039000 
1 1 1   64   11   12 o   8.9210   2.3860 -0.1638000 4.771000 
1 1 1   64   11   13 o   6.2450   2.8860      ?      ? 
1 1 1   64   11   14 o   13.240   2.2200 -2.756000 4.440000 
1 1 1   64   11   15 o   30.510   1.0610 -2.511000 2.123000 
1 1 1   64   11   16 o   10.270   2.3780 2.142000 4.755000 
1 1 1   64   11   17 o   15.920   1.9530 -6.587000 3.906000 
1 1 1   64   11   18 o   21.730   1.3620 4.027000 2.725000 
1 1 1   64   11   19 o   17.800   1.6070 4.317000 3.213000 
1 1 1   64   11   20 o   10.880   2.2220 1.814000 4.444000 
1 1 1   64   11   21 o   10.320   2.2030 -4.107000 4.405000 
1 1 1   64   11   22 o   8.2770   2.2150 0.2230000 4.429000 
1 1 1   64   11   23 o   7.9630   2.1790 -0.8647000 4.357000 
1 1 1   64   11   24 o   7.3130   2.1160 0.7826000 4.232000 
1 1 1   64   12    0 o   10.530   3.2230 -0.000000 0.000000 
1 1 1   64   12    1 o   14.820   1.8480 1.084000 3.696000 
1 1 1   64   12    2 o   8.2830   2.2640 -1.745000 4.527000 
1 1 1   64   12    3 o   24.730   1.6630      ?      ? 
1 1 1   64   12    4 f   6.2120   2.0050 0.8436000 4.009000 
1 1 1   64   12    5 o   23.970   1.2080 -2.103000 2.416000 
1 1 1   64   12    6 o   9.0200   2.2350 -3.835000 4.470000 
1 1 1   64   12    7 o   35.540   0.8983 -0.9707000 1.797000 
1 1 1   64   12    8 o   6.9080   2.1380 -0.4866000 4.275000 
1 1 1   64   12    9 o   13.240   2.0670 7.302000 4.134000 
1 1 1   64   12   10 o   7.7370   2.2530 -1.640000 4.506000 
1 1 1   64   12   11 o   7.7300   2.2900 0.7478000 4.580000 
1 1 1   64   12   12 o   16.080   2.0120 -7.330000 4.024000 
1 1 1   64   12   13 o   10.050   2.3950 -3.158000 4.791000 
1 1 1   64   12   14 o   11.250   2.4420 -0.5921000 4.884000 
1 1 1   64   12   15 o   9.7760   2.4300 2.633000 4.859000 
1 1 1   64   12   16 o   25.810   1.2500 -3.447000 2.501000 
1 1 1   64   12   17 o   8.7500   2.2060 -4.018000 4.411000 
1 1 1   64   12   18 o   7.2770   2.1490 -1.734000 4.299000 
1 1 1   64   12   19 f   10.200   2.2130 3.848000 4.426000 
1 1 1   64   12   20 o   6.8310   2.0820 -1.037000 4.163000 
1 1 1   64   12   21 o   10.120   2.2260 -2.338000 4.452000 
1 1 1   64   12   22 o   7.2820   2.0300 3.413000 4.060000 
1 1 1   64   12   23 o   7.2700   2.1340 -1.203000 4.269000 
1 1 1   64   13    0 o   33.610   1.3140 -0.000000 0.000000 
1 1 1   64   13    1 o   18.650   1.5940 3.107000 3.189000 
1 1 1   64   13    2 o   12.800   2.2220 1.487000 4.444000 
1 1 1   64   13    3 o   21.440   1.4430 4.056000 2.887000 
1 1 1   64   13    4 o   7.6920   2.2750 1.162000 4.549000 
1 1 1   64   13    5 o   10.520   2.4070 -0.1133000 4.814000 
1 1 1   64   13    6 o   17.090   1.8200 -4.464000 3.640000 
1 1 1   64   13    7 o   19.500   1.5610 -0.3327000 3.123000 
1 1 1   64   13    8 o   23.640   1.3340 1.183000 2.667000 
1 1 1   64   13    9 o   28.590   1.1300 4.086000 2.259000 
1 1 1   64   13   10 o   31.590   1.0680 0.7140000 2.135000 
1 1 1   64   13   11 o   13.890   2.1830 -5.790000 4.366000 
1 1 1   64   13   12 o   8.1850   2.2840 -3.926000 4.569000 
1 1 1   64   13   13 o   11.360   2.4940 -0.6685000 4.988000 
1 1 1   64   13   14 o   10.210   2.4050 -1.933000 4.810000 
1 1 1   64   13   15 o   9.9080   2.3490 1.475000 4.698000 
1 1 1   64   13   16 f   11.760   1.8880 10.16000 3.776000 
1 1 1   64   13   17 o   8.2480   2.1640 -4.272000 4.329000 
1 1 1   64   13   18 o   16.920   1.8530 3.357000 3.706000 
1 1 1   64   13   19 o   7.6310   2.1670 -1.836000 4.334000 
1 1 1   64   13   20 o   10.130   2.1010 4.830000 4.201000 
1 1 1   64   13   21 f   13.250   1.9120 9.097000 3.823000 
1 1 1   64   13   22 o   12.410   2.8040 -6.362000 5.609000 
1 1 1   64   14    0 o   20.030   2.2980 -0.000000 0.000000 
1 1 1   64   14    1 o   26.400   1.2060 2.382000 2.412000 
1 1 1   64   14    2 o   10.480   2.3440 -4.756000 4.688000 
1 1 1   64   14    3 o   13.440   2.1260 8.471000 4.253000 
1 1 1   64   14    4 o   13.290   2.3070 -3.687000 4.614000 
1 1 1   64   14    5 o   22.980   1.4250 -1.320000 2.850000 
1 1 1   64   14    6 o   24.790   1.2930 0.1694000 2.587000 
1 1 1   64   14    7 o   11.440   2.4680 -2.463000 4.936000 
1 1 1   64   14    8 o   34.910   1.0020 -1.484000 2.003000 
1 1 1   64   14    9 o   37.080   0.9883 -2.756000 1.977000 
1 1 1   64   14   10 o   31.790   1.0600 -0.2060000 2.119000 
1 1 1   64   14   11 o   15.730   2.0220 5.764000 4.044000 
1 1 1   64   14   12 o   14.900   2.0680 -1.231000 4.135000 
1 1 1   64   14   13 f   14.370   2.1140 2.752000 4.227000 
1 1 1   64   14   14 o   9.1970   2.3360 -3.122000 4.672000 
1 1 1   64   14   15 o   10.160   2.3800 -3.118000 4.760000 
1 1 1   64   14   16 o   9.8060   3.2770      ?      ? 
1 1 1   64   14   17 o   12.900   2.1450 0.4787000 4.291000 
1 1 1   64   14   18 o   8.5560   2.0560 -6.521000 4.111000 
1 1 1   64   14   19 o   8.9550   2.2340 -2.186000 4.468000 
1 1 1   64   14   20 o   10.870   2.1450 -4.758000 4.290000 
1 1 1   64   15    0 o   11.860   3.5660 -0.000000 0.000000 
1 1 1   64   15    1 o   8.6610   2.4280 -1.498000 4.857000 
1 1 1   64   15    2 o   10.540   2.5390 -2.097000 5.078000 
1 1 1   64   15    3 f   8.3580   2.3890 -2.708000 4.779000 
1 1 1   64   15    4 o   12.210   2.4710 1.049000 4.943000 
1 1 1   64   15    5 o   11.760   2.4740 -1.339000 4.948000 
1 1 1   64   15    6 o   22.590   1.4880 0.4417000E-02 2.976000 
1 1 1   64   15    7 o   22.410   1.3540 -1.622000 2.707000 
1 1 1   64   15    8 o   16.910   1.9000 5.656000 3.799000 
1 1 1   64   15    9 o   10.860   2.3480 2.773000 4.695000 
1 1 1   64   15   10 o   9.0660   2.3810 1.965000 4.761000 
1 1 1   64   15   11 o   7.8000   2.2680 -2.751000 4.535000 
1 1 1   64   15   12 o   10.080   2.4500 -1.852000 4.900000 
1 1 1   64   15   13 o   13.170   2.1790 5.777000 4.359000 
1 1 1   64   15   14 o   7.9240   2.1780 -5.185000 4.356000 
1 1 1   64   15   15 o   9.5530   2.3630 -0.6707000 4.726000 
1 1 1   64   15   16 o   9.9410   2.3070 -0.4954000 4.613000 
1 1 1   64   15   17 o   7.7390   2.1270 3.204000 4.253000 
1 1 1   64   15   18 f   7.2760   2.1480 -0.2743000 4.297000 
1 1 1   64   15   19 o   6.1420   1.9660 -1.958000 3.933000 
1 1 1   64   16    0 o   14.840   3.1600 -0.000000 0.000000 
1 1 1   64   16    1 o   11.300   3.6420      ?      ? 
1 1 1   64   16    2 o   8.6300   2.4230 2.827000 4.846000 
1 1 1   64   16    3 o   15.640   1.9740 1.285000 3.948000 
1 1 1   64   16    4 o   16.810   1.8450 0.7586000 3.689000 
1 1 1   64   16    5 o   8.7790   2.4030 -0.4677000 4.807000 
1 1 1   64   16    6 o   9.4000   2.4300 -2.112000 4.859000 
1 1 1   64   16    7 o   5.8030   1.9360 -1.636000 3.872000 
1 1 1   64   16    8 o   8.1490   2.3520 -1.102000 4.704000 
1 1 1   64   16    9 o   10.080   2.4020 -1.855000 4.805000 
1 1 1   64   16   10 o   9.6410   2.4370 -2.212000 4.874000 
1 1 1   64   16   11 o   6.7340   2.0930 2.323000 4.187000 
1 1 1   64   16   12 o   12.690   2.3270 0.2404000 4.655000 
1 1 1   64   16   13 o   9.6110   2.3640 -3.768000 4.727000 
1 1 1   64   16   14 o   11.010   2.2190 3.919000 4.439000 
1 1 1   64   16   15 o   6.8750   2.1190 -0.6176000 4.238000 
1 1 1   64   16   16 o   11.570   2.2030 3.491000 4.405000 
1 1 1   64   16   17 o   7.7700   2.1790 1.623000 4.357000 
1 1 1   64   17    0 f   7.2920   3.1140 -0.000000 0.000000 
1 1 1   64   17    1 o   11.740   2.3430 1.008000 4.685000 
1 1 1   64   17    2 o   7.8030   2.2520 -2.064000 4.504000 
1 1 1   64   17    3 o   10.500   2.4270 -4.232000 4.854000 
1 1 1   64   17    4 o   10.930   2.3290 -5.996000 4.659000 
1 1 1   64   17    5 o   10.470   2.4190 2.318000 4.839000 
1 1 1   64   17    6 o   7.7610   2.3090 -1.509000 4.618000 
1 1 1   64   17    7 o   14.610   2.1210 2.467000 4.242000 
1 1 1   64   17    8 o   7.3800   2.2320 -1.050000 4.464000 
1 1 1   64   17    9 o   8.5720   2.3000 -4.145000 4.599000 
1 1 1   64   17   10 o   12.320   2.3260 -1.039000 4.653000 
1 1 1   64   17   11 o   8.4060   2.2790 2.913000 4.558000 
1 1 1   64   17   12 o   12.210   2.3260 -1.653000 4.653000 
1 1 1   64   17   13 o   12.520   2.2350 -3.123000 4.470000 
1 1 1   64   17   14 o   12.940   2.2100 0.8042000 4.419000 
1 1 1   64   17   15 o   6.2560   2.0190 -0.3956000 4.039000 
1 1 1   64   18    0 o   6.4400   2.8900 -0.000000 0.000000 
1 1 1   64   18    1 o   10.140   2.3470 -0.8232000 4.694000 
1 1 1   64   18    2 o   8.3440   2.3010 0.8612000 4.601000 
1 1 1   64   18    3 o   8.5850   2.3250 -0.4885000 4.651000 
1 1 1   64   18    4 o   6.8160   2.0900 2.197000 4.180000 
1 1 1   64   18    5 o   12.420   2.2230 -0.3532000 4.446000 
1 1 1   64   18    6 o   7.6070   2.1910 -2.347000 4.382000 
1 1 1   64   18    7 o   8.6280   2.2580 -2.318000 4.517000 
1 1 1   64   18    8 o   12.540   2.1330 3.351000 4.266000 
1 1 1   64   18    9 o   8.1330   2.1860 3.184000 4.372000 
1 1 1   64   18   10 o   6.9360   2.1130 -3.288000 4.226000 
1 1 1   64   18   11 o   12.360   2.3100 -0.8868000 4.620000 
1 1 1   64   18   12 o   9.0490   2.2450 -5.205000 4.491000 
1 1 1   64   19    0 o   6.2580   2.8370 -0.000000 0.000000 
1 1 1   64   19    1 o   9.6500   2.3440 -0.6118000 4.689000 
1 1 1   64   19    2 o   11.360   2.2780 -2.523000 4.556000 
1 1 1   64   19    3 o   14.250   2.0240 -0.4252000 4.049000 
1 1 1   64   19    4 o   7.0920   2.0730 3.424000 4.147000 
1 1 1   64   19    5 o   10.730   2.2940 -1.911000 4.588000 
1 1 1   64   19    6 o   6.9830   2.0750 -3.038000 4.150000 
1 1 1   64   19    7 o   7.6200   2.1880 0.7649000 4.376000 
1 1 1   64   19    8 o   10.920   2.0090 -7.336000 4.017000 
1 1 1   64   19    9 o   10.790   2.2720 9.291000 4.543000 
1 1 1   64   20    0 o   16.250   3.5920 -0.000000 0.000000 
1 1 1   64   20    1 o   9.6830   2.7320 -1.036000 5.464000 
1 1 1   64   20    2 o   10.780   4.4610      ?      ? 
1 1 1   65    0    1 o   51.500   0.9683 -0.000000 0.000000 
1 1 1   65    0    2 o   12.850   2.3090 -0.000000 0.000000 
1 1 1   65    0    3 o   5.3540   2.4350 -0.000000 0.000000 
1 1 1   65    0    4 o   9.4110   2.7870 -0.000000 0.000000 
1 1 1   65    0    5 o   7.1340   2.7610 -0.000000 0.000000 
1 1 1   65    0    6 o   8.1020   2.7710 -0.000000 0.000000 
1 1 1   65    0    7 o   26.390   1.1620 -0.000000 0.000000 
1 1 1   65    0    8 o   4.6630   2.2070 -0.000000 0.000000 
1 1 1   65    0    9 o   6.7430   2.7340 -0.000000 0.000000 
1 1 1   65    0   10 f   9.4120   2.8710 -0.000000 0.000000 
1 1 1   65    0   11 o   5.3230   2.4590 -0.000000 0.000000 
1 1 1   65    0   12 o   39.760   1.0080 -0.000000 0.000000 
1 1 1   65    0   13 o   9.3940   2.9580 -0.000000 0.000000 
1 1 1   65    0   14 o   16.770   1.9730 -0.000000 0.000000 
1 1 1   65    0   15 o   21.480   1.6150 -0.000000 0.000000 
1 1 1   65    0   16 o   18.040   1.9410 -0.000000 0.000000 
1 1 1   65    0   17 o   6.2090   2.7370 -0.000000 0.000000 
1 1 1   65    0   18 o   35.900   1.1530 -0.000000 0.000000 
1 1 1   65    0   19 o   6.6990   2.8520 -0.000000 0.000000 
1 1 1   65    0   20 o   31.630   1.1870 -0.000000 0.000000 
1 1 1   65    0   21 o   17.420   2.0280 -0.000000 0.000000 
1 1 1   65    0   22 o   10.850   3.0710 -0.000000 0.000000 
1 1 1   65    0   23 o   19.640   1.7920 -0.000000 0.000000 
1 1 1   65    0   24 o   23.760   1.4350 -0.000000 0.000000 
1 1 1   65    0   25 o   6.1850   2.7050 -0.000000 0.000000 
1 1 1   65    0   26 o   23.420   1.4440 -0.000000 0.000000 
1 1 1   65    0   27 o   8.4430   2.8860 -0.000000 0.000000 
1 1 1   65    0   28 o   9.3920   2.8600 -0.000000 0.000000 
1 1 1   65    1    0 f   27.700   0.8424 -0.000000 0.000000 
1 1 1   65    1    1 o   14.160   1.0760 3.168000 2.152000 
1 1 1   65    1    2 o   25.720   0.6300 -3.860000 1.260000 
1 1 1   65    1    3 o   58.230   0.5824 0.2013000 1.165000 
1 1 1   65    1    4 o   30.170   0.5915 -8.003000 1.183000 
1 1 1   65    1    5 o   37.740   0.5293 0.4251000 1.059000 
1 1 1   65    1    6 o   27.960   0.6049 -1.366000 1.210000 
1 1 1   65    1    7 o   6.6650   1.6660 -2.932000 3.331000 
1 1 1   65    1    8 o   7.7690   1.6930 -5.754000 3.385000 
1 1 1   65    1    9 o   68.260   0.7266 -2.106000 1.453000 
1 1 1   65    1   10 o   20.490   0.8908 -6.431000 1.782000 
1 1 1   65    1   11 o   38.880   0.6306 -1.274000 1.261000 
1 1 1   65    1   12 o   38.410   0.6350 -4.887000 1.270000 
1 1 1   65    1   13 o   9.4720   1.8590 -0.3917000 3.718000 
1 1 1   65    1   14 o   24.520   0.9893 0.7154000E-01 1.979000 
1 1 1   65    1   15 o   24.360   0.9941 1.725000 1.988000 
1 1 1   65    1   16 o   15.110   1.6390 2.945000 3.278000 
1 1 1   65    1   17 o   21.840   1.1240 1.086000 2.247000 
1 1 1   65    1   18 o   15.120   2.4580      ?      ? 
1 1 1   65    1   19 o   17.160   1.4980 -1.443000 2.996000 
1 1 1   65    1   20 o   8.2320   2.1860 1.362000 4.372000 
1 1 1   65    1   21 o   13.000   1.9470 -5.696000 3.894000 
1 1 1   65    1   22 o   16.360   1.6080 -2.833000 3.216000 
1 1 1   65    1   23 o   15.180   1.6560 -3.539000 3.313000 
1 1 1   65    1   24 f   8.1400   2.0000 3.852000 4.000000 
1 1 1   65    1   25 o   9.0150   1.9820 4.755000 3.964000 
1 1 1   65    1   26 o   8.0870   2.1320 0.3847000 4.264000 
1 1 1   65    1   27 o   8.4270   2.0400 -0.8416000 4.081000 
1 1 1   65    1   28 o   13.580   1.5210 0.2007000 3.042000 
1 1 1   65    2    0 o   6.4820   2.3960 -0.000000 0.000000 
1 1 1   65    2    1 o   17.600   0.8762 -2.338000 1.752000 
1 1 1   65    2    2 o   35.510   0.5394 4.357000 1.079000 
1 1 1   65    2    3 o   29.980   0.6381 -4.939000 1.276000 
1 1 1   65    2    4 o   66.670   0.6284 -0.4381000 1.257000 
1 1 1   65    2    5 o   24.080   0.7442 -0.7509000 1.488000 
1 1 1   65    2    6 o   17.120   0.9105 1.295000 1.821000 
1 1 1   65    2    7 o   17.230   0.9617 5.912000 1.923000 
1 1 1   65    2    8 o   20.380   0.7729 -2.132000 1.546000 
1 1 1   65    2    9 o   19.130   0.8284 3.032000 1.657000 
1 1 1   65    2   10 o   19.630   0.8438 3.059000 1.688000 
1 1 1   65    2   11 o   19.540   0.8397 -0.9589000E-01 1.679000 
1 1 1   65    2   12 o   20.280   0.8332 0.3939000 1.666000 
1 1 1   65    2   13 o   25.250   0.7134 3.063000 1.427000 
1 1 1   65    2   14 o   9.7100   1.7590 2.298000 3.518000 
1 1 1   65    2   15 o   37.630   0.6043 -0.4477000 1.209000 
1 1 1   65    2   16 f   23.880   0.8018 -0.2305000 1.604000 
1 1 1   65    2   17 o   16.320   1.1690 0.2840000 2.338000 
1 1 1   65    2   18 o   34.540   0.7315 -2.136000 1.463000 
1 1 1   65    2   19 o   20.480   1.1260 4.188000 2.252000 
1 1 1   65    2   20 o   31.580   0.7905 3.411000 1.581000 
1 1 1   65    2   21 o   23.010   0.9742 0.1577000 1.948000 
1 1 1   65    2   22 o   9.5330   2.0160 0.5127000 4.032000 
1 1 1   65    2   23 o   12.390   1.7570 2.504000 3.515000 
1 1 1   65    2   24 o   12.790   1.9140 -3.915000 3.828000 
1 1 1   65    2   25 o   14.260   1.7070 -1.123000 3.415000 
1 1 1   65    2   26 o   8.1100   2.1230 -0.1688000 4.246000 
1 1 1   65    2   27 o   7.3870   2.0150 0.1551000 4.031000 
1 1 1   65    2   28 o   14.770   1.4580 -1.850000 2.916000 
1 1 1   65    3    0 o   29.330   1.0100 -0.000000 0.000000 
1 1 1   65    3    1 o   77.320   0.8588 -2.330000 1.718000 
1 1 1   65    3    2 o   64.980   0.7586 -3.170000 1.517000 
1 1 1   65    3    3 o   58.680   0.7098 -3.310000 1.420000 
1 1 1   65    3    4 o   17.840   1.1340 -9.180000 2.267000 
1 1 1   65    3    5 o   24.430   0.8160 3.784000 1.632000 
1 1 1   65    3    6 o   14.450   1.2380 1.022000 2.475000 
1 1 1   65    3    7 o   59.650   0.7179 -4.114000 1.436000 
1 1 1   65    3    8 o   7.2540   1.8240 -3.110000 3.647000 
1 1 1   65    3    9 o   45.910   0.6565 -0.5943000 1.313000 
1 1 1   65    3   10 o   5.9320   2.5340      ?      ? 
1 1 1   65    3   11 o   16.490   1.2440 3.989000 2.487000 
1 1 1   65    3   12 o   11.770   1.6330 3.424000 3.267000 
1 1 1   65    3   13 o   36.170   0.6451 -4.923000 1.290000 
1 1 1   65    3   14 o   28.150   0.7446 -0.5745000 1.489000 
1 1 1   65    3   15 o   20.410   1.0330 3.454000 2.065000 
1 1 1   65    3   16 o   28.300   0.7830 0.9307000 1.566000 
1 1 1   65    3   17 o   33.770   0.7110 -1.150000 1.422000 
1 1 1   65    3   18 o   39.390   0.6241 -0.4180000 1.248000 
1 1 1   65    3   19 o   18.210   1.0890 -0.5680000 2.177000 
1 1 1   65    3   20 o   8.0510   1.8770 -4.015000 3.754000 
1 1 1   65    3   21 o   10.580   1.6790 -7.680000 3.358000 
1 1 1   65    3   22 o   18.130   1.1180 -3.079000 2.236000 
1 1 1   65    3   23 o   16.680   1.1870 -2.137000 2.373000 
1 1 1   65    3   24 o   8.6280   2.0010 -1.028000 4.002000 
1 1 1   65    3   25 o   5.9110   1.8130 -1.248000 3.626000 
1 1 1   65    3   26 o   9.2720   1.9090 -3.890000 3.817000 
1 1 1   65    3   27 o   11.930   1.5950 -6.431000 3.190000 
1 1 1   65    3   28 o   14.630   1.2770 -0.9147000E-02 2.554000 
1 1 1   65    4    0 o   21.030   1.2730 -0.000000 0.000000 
1 1 1   65    4    1 o   27.710   0.7547 -3.339000 1.509000 
1 1 1   65    4    2 o   18.600   1.0140 -2.506000 2.029000 
1 1 1   65    4    3 o   35.700   0.6611 2.103000 1.322000 
1 1 1   65    4    4 f   30.350   0.6974 -1.674000 1.395000 
1 1 1   65    4    5 o   35.760   0.6629 -2.277000 1.326000 
1 1 1   65    4    6 o   29.410   0.7268 -0.7928000 1.454000 
1 1 1   65    4    7 o   29.770   0.7186 -0.3697000E-01 1.437000 
1 1 1   65    4    8 o   44.790   0.6618 0.3414000 1.324000 
1 1 1   65    4    9 o   32.190   0.7127 1.892000 1.425000 
1 1 1   65    4   10 o   29.210   0.7519 -2.753000 1.504000 
1 1 1   65    4   11 o   28.970   0.7705 -3.883000 1.541000 
1 1 1   65    4   12 o   11.960   1.7430 1.633000 3.486000 
1 1 1   65    4   13 o   31.050   0.7761 2.091000 1.552000 
1 1 1   65    4   14 o   25.170   0.8914 2.555000 1.783000 
1 1 1   65    4   15 o   29.320   0.8297 0.7674000 1.659000 
1 1 1   65    4   16 o   40.440   0.7346 2.773000 1.469000 
1 1 1   65    4   17 o   18.200   1.2850 -0.6777000 2.570000 
1 1 1   65    4   18 o   42.600   1.0490      ?      ? 
1 1 1   65    4   19 o   28.000   0.9053 -0.6952000 1.811000 
1 1 1   65    4   20 o   12.440   1.7850 -1.250000 3.570000 
1 1 1   65    4   21 o   30.160   0.7936 0.9830000E-02 1.587000 
1 1 1   65    4   22 o   17.150   1.3130 -2.362000 2.627000 
1 1 1   65    4   23 o   12.200   1.8290 0.5243000 3.657000 
1 1 1   65    4   24 f   11.320   1.8980 0.8975000 3.796000 
1 1 1   65    4   25 o   6.2780   1.7790 2.573000 3.558000 
1 1 1   65    4   26 o   10.500   1.9110 -1.774000 3.823000 
1 1 1   65    4   27 o   6.0200   1.6680 -4.155000 3.335000 
1 1 1   65    4   28 f   7.4430   2.0820 -1.984000 4.164000 
1 1 1   65    5    0 o   16.990   1.5630 -0.000000 0.000000 
1 1 1   65    5    1 o   40.530   0.6660 3.357000 1.332000 
1 1 1   65    5    2 o   23.620   0.8439 -2.490000 1.688000 
1 1 1   65    5    3 o   40.640   0.6640 3.684000 1.328000 
1 1 1   65    5    4 o   51.020   0.6850 2.193000 1.370000 
1 1 1   65    5    5 o   31.570   0.7080 -0.7426000 1.416000 
1 1 1   65    5    6 o   45.070   0.6591 0.9514000 1.318000 
1 1 1   65    5    7 o   22.600   0.8936 0.7026000 1.787000 
1 1 1   65    5    8 o   35.030   0.7102 -0.7632000 1.420000 
1 1 1   65    5    9 o   29.040   0.7607 -2.906000 1.521000 
1 1 1   65    5   10 o   52.900   0.7000 0.8794000 1.400000 
1 1 1   65    5   11 o   29.010   0.7778 -1.462000 1.556000 
1 1 1   65    5   12 o   22.390   0.9710 0.2973000 1.942000 
1 1 1   65    5   13 o   23.110   0.9810 -2.952000 1.962000 
1 1 1   65    5   14 o   31.260   0.8212 -0.8754000 1.642000 
1 1 1   65    5   15 o   43.610   0.7355 1.330000 1.471000 
1 1 1   65    5   16 o   28.090   0.8903 0.5077000 1.781000 
1 1 1   65    5   17 o   12.270   1.9420 -1.348000 3.883000 
1 1 1   65    5   18 o   15.140   1.6460 0.8266000 3.291000 
1 1 1   65    5   19 o   23.650   1.1170 2.764000 2.233000 
1 1 1   65    5   20 o   9.8750   2.1900 3.133000 4.380000 
1 1 1   65    5   21 o   31.560   0.8842 -2.481000 1.768000 
1 1 1   65    5   22 o   20.710   1.2790 3.867000 2.557000 
1 1 1   65    5   23 o   22.780   1.1140 -2.309000 2.229000 
1 1 1   65    5   24 o   6.9470   2.0490 0.3601000E-01 4.098000 
1 1 1   65    5   25 o   12.420   1.9410 -2.170000 3.882000 
1 1 1   65    5   26 o   8.3310   1.9710 1.255000 3.941000 
1 1 1   65    5   27 o   8.1690   2.0310 -1.079000 4.063000 
1 1 1   65    6    0 o   20.550   1.3870 -0.000000 0.000000 
1 1 1   65    6    1 o   37.440   0.6796 -1.305000 1.359000 
1 1 1   65    6    2 o   38.250   0.6754 1.491000 1.351000 
1 1 1   65    6    3 o   13.700   1.5070 -3.751000 3.013000 
1 1 1   65    6    4 o   34.680   0.7056 4.106000 1.411000 
1 1 1   65    6    5 o   39.500   0.6856 1.424000 1.371000 
1 1 1   65    6    6 o   68.930   0.7995 0.9345000 1.599000 
1 1 1   65    6    7 o   35.580   0.6998 1.287000 1.400000 
1 1 1   65    6    8 o   29.050   0.7954 -3.690000 1.591000 
1 1 1   65    6    9 o   13.490   1.6020 -4.525000 3.205000 
1 1 1   65    6   10 o   20.760   1.0310 3.495000 2.062000 
1 1 1   65    6   11 f   37.890   0.7046 0.8215000 1.409000 
1 1 1   65    6   12 o   41.150   0.7085 -2.875000 1.417000 
1 1 1   65    6   13 o   44.930   0.7198 0.7648000 1.440000 
1 1 1   65    6   14 o   8.9540   2.0340 4.011000 4.068000 
1 1 1   65    6   15 o   26.140   0.9666 -1.178000 1.933000 
1 1 1   65    6   16 f   16.360   1.5120 2.358000 3.024000 
1 1 1   65    6   17 o   12.210   2.0220 -3.029000 4.044000 
1 1 1   65    6   18 o   7.4990   2.1240 -0.9992000 4.247000 
1 1 1   65    6   19 o   8.8890   1.8730 -7.863000 3.745000 
1 1 1   65    6   20 o   10.570   2.1930 -1.384000 4.385000 
1 1 1   65    6   21 o   13.760   1.8770 -3.828000 3.753000 
1 1 1   65    6   22 o   8.6560   2.2160 0.5969000 4.433000 
1 1 1   65    6   23 o   7.0720   3.0030      ?      ? 
1 1 1   65    6   24 o   8.9910   2.1270 3.693000 4.254000 
1 1 1   65    6   25 o   10.850   2.1050 -3.356000 4.209000 
1 1 1   65    6   26 o   9.6050   2.0000 4.511000 4.000000 
1 1 1   65    6   27 o   12.810   1.8940 -1.238000 3.788000 
1 1 1   65    7    0 o   60.090   1.0430 -0.000000 0.000000 
1 1 1   65    7    1 o   10.160   1.9210 1.524000 3.843000 
1 1 1   65    7    2 o   31.790   0.7463 0.3375000E-01 1.493000 
1 1 1   65    7    3 o   23.030   0.9323 -0.6404000 1.865000 
1 1 1   65    7    4 o   22.450   0.9421 2.910000 1.884000 
1 1 1   65    7    5 o   50.900   0.7014 0.7780000 1.403000 
1 1 1   65    7    6 o   35.430   0.7101 3.894000 1.420000 
1 1 1   65    7    7 o   26.410   0.8773 -0.3100000 1.755000 
1 1 1   65    7    8 o   33.280   0.7471 0.3545000 1.494000 
1 1 1   65    7    9 o   23.740   0.9319 -1.516000 1.864000 
1 1 1   65    7   10 o   41.440   0.7134 -3.046000 1.427000 
1 1 1   65    7   11 o   60.050   0.7573 -0.7587000 1.515000 
1 1 1   65    7   12 o   20.300   1.1580 0.2813000 2.316000 
1 1 1   65    7   13 o   39.450   0.7502 -1.908000 1.500000 
1 1 1   65    7   14 o   28.920   0.9065 2.332000 1.813000 
1 1 1   65    7   15 o   15.490   1.6780 2.152000 3.356000 
1 1 1   65    7   16 o   23.150   1.1420 -3.199000 2.284000 
1 1 1   65    7   17 o   9.7040   2.1660 -3.538000 4.333000 
1 1 1   65    7   18 o   33.730   0.8753 0.9483000 1.751000 
1 1 1   65    7   19 o   8.7450   2.2560 -0.1840000 4.512000 
1 1 1   65    7   20 o   26.000   1.0740 5.269000 2.148000 
1 1 1   65    7   21 o   6.5480   2.0320 0.5830000 4.064000 
1 1 1   65    7   22 o   8.2230   2.1650 1.592000 4.330000 
1 1 1   65    7   23 o   7.1220   2.0820 -3.100000 4.164000 
1 1 1   65    7   24 f   8.8190   2.0420 5.298000 4.084000 
1 1 1   65    7   25 o   7.2900   2.0960 -1.066000 4.192000 
1 1 1   65    7   26 o   13.830   1.8420 -0.7185000 3.683000 
1 1 1   65    8    0 f   7.5620   2.9100 -0.000000 0.000000 
1 1 1   65    8    1 o   24.410   0.9275 -2.351000 1.855000 
1 1 1   65    8    2 o   22.770   0.9694 -4.289000 1.939000 
1 1 1   65    8    3 o   21.020   1.0680 -1.332000 2.137000 
1 1 1   65    8    4 o   28.430   0.8213 -2.303000 1.643000 
1 1 1   65    8    5 f   37.220   0.7365 0.3258000 1.473000 
1 1 1   65    8    6 o   29.450   0.8271 -2.373000 1.654000 
1 1 1   65    8    7 o   44.010   0.7227 0.5887000 1.445000 
1 1 1   65    8    8 o   12.670   1.7560 -1.979000 3.512000 
1 1 1   65    8    9 o   25.160   0.9302 -0.2971000 1.860000 
1 1 1   65    8   10 o   37.260   0.7509 -1.693000 1.502000 
1 1 1   65    8   11 o   12.990   1.8370 -4.652000 3.674000 
1 1 1   65    8   12 o   33.360   0.8332 -1.807000 1.666000 
1 1 1   65    8   13 o   26.380   1.0130 4.476000 2.025000 
1 1 1   65    8   14 o   14.740   1.8080 -6.141000 3.615000 
1 1 1   65    8   15 o   8.7970   2.0470 -5.538000 4.093000 
1 1 1   65    8   16 o   31.140   0.9375 -3.334000 1.875000 
1 1 1   65    8   17 o   23.450   1.2250 1.193000 2.449000 
1 1 1   65    8   18 o   12.580   2.1740 -3.495000 4.348000 
1 1 1   65    8   19 o   10.780   2.3040 -1.355000 4.607000 
1 1 1   65    8   20 o   27.170   1.0520 -1.013000 2.105000 
1 1 1   65    8   21 o   9.7760   2.2890 1.131000 4.578000 
1 1 1   65    8   22 o   7.3400   2.1450 -2.074000 4.290000 
1 1 1   65    8   23 o   15.040   1.8480 -3.641000 3.696000 
1 1 1   65    8   24 o   7.2610   2.1400 -0.3330000 4.280000 
1 1 1   65    8   25 o   10.760   2.2250 0.8931000 4.449000 
1 1 1   65    8   26 o   7.1630   2.1020 -1.793000 4.204000 
1 1 1   65    9    0 o   8.3430   2.9010 -0.000000 0.000000 
1 1 1   65    9    1 o   28.830   0.8728 1.476000 1.746000 
1 1 1   65    9    2 o   9.4780   2.1090 -1.548000 4.218000 
1 1 1   65    9    3 o   44.270   0.7201 0.2947000 1.440000 
1 1 1   65    9    4 o   31.680   0.7944 -1.784000 1.589000 
1 1 1   65    9    5 o   17.460   1.3400 4.817000 2.679000 
1 1 1   65    9    6 o   16.830   1.4550 3.039000 2.911000 
1 1 1   65    9    7 o   27.100   0.9266 -2.740000 1.853000 
1 1 1   65    9    8 o   35.870   0.7781 -0.9975000 1.556000 
1 1 1   65    9    9 o   33.220   0.8392 -2.019000 1.678000 
1 1 1   65    9   10 f   26.450   1.0050 2.029000 2.009000 
1 1 1   65    9   11 o   21.270   1.2300 -2.056000 2.460000 
1 1 1   65    9   12 o   13.460   1.9480 -1.197000 3.896000 
1 1 1   65    9   13 o   30.100   0.9438 0.9447000 1.888000 
1 1 1   65    9   14 o   13.100   1.9960 3.018000 3.992000 
1 1 1   65    9   15 o   24.570   1.1540 -1.584000 2.309000 
1 1 1   65    9   16 o   12.670   2.1670 -1.504000 4.334000 
1 1 1   65    9   17 o   21.100   1.3670 1.144000 2.734000 
1 1 1   65    9   18 o   13.520   2.0750 0.1284000 4.151000 
1 1 1   65    9   19 o   8.9500   2.3320 1.125000 4.663000 
1 1 1   65    9   20 o   19.140   1.5010 0.7187000 3.002000 
1 1 1   65    9   21 o   6.8480   2.1170 -0.3751000E-01 4.234000 
1 1 1   65    9   22 o   19.890   1.4040 -0.1645000 2.807000 
1 1 1   65    9   23 o   13.090   2.0340 1.718000 4.068000 
1 1 1   65    9   24 f   8.9620   2.0750 -5.368000 4.151000 
1 1 1   65    9   25 o   7.9380   2.1520 -0.1868000 4.303000 
1 1 1   65   10    0 o   29.700   1.2780 -0.000000 0.000000 
1 1 1   65   10    1 o   38.140   0.7655 -1.527000 1.531000 
1 1 1   65   10    2 o   34.530   0.7993 2.214000 1.599000 
1 1 1   65   10    3 o   10.360   2.1630 0.2969000 4.326000 
1 1 1   65   10    4 o   14.460   1.7410 -5.472000 3.481000 
1 1 1   65   10    5 o   18.410   1.3470 1.911000 2.695000 
1 1 1   65   10    6 o   16.480   1.4840 -0.8850000 2.968000 
1 1 1   65   10    7 o   29.210   0.9312 1.055000 1.862000 
1 1 1   65   10    8 o   25.910   1.0340 0.1348000 2.068000 
1 1 1   65   10    9 o   37.010   0.8237 0.3427000 1.647000 
1 1 1   65   10   10 o   16.850   1.6470 4.486000 3.293000 
1 1 1   65   10   11 o   17.750   1.5780 -4.800000 3.157000 
1 1 1   65   10   12 o   20.270   1.4410 5.441000 2.883000 
1 1 1   65   10   13 o   6.2530   1.9970 0.3106000 3.994000 
1 1 1   65   10   14 o   11.440   2.2400 3.945000 4.480000 
1 1 1   65   10   15 o   15.720   1.8740 -0.9920000 3.748000 
1 1 1   65   10   16 o   28.050   1.1010 0.5215000 2.202000 
1 1 1   65   10   17 o   6.8290   2.0910 -2.170000 4.183000 
1 1 1   65   10   18 o   8.2650   2.2440 3.248000 4.488000 
1 1 1   65   10   19 o   14.190   2.0350 0.9086000 4.070000 
1 1 1   65   10   20 o   10.440   2.3320 -1.768000 4.663000 
1 1 1   65   10   21 o   8.8860   2.2320 4.162000 4.463000 
1 1 1   65   10   22 o   9.0900   2.1920 1.655000 4.383000 
1 1 1   65   10   23 o   13.980   1.8070 -1.638000 3.615000 
1 1 1   65   10   24 f   8.7100   2.1980 1.319000 4.395000 
1 1 1   65   11    0 o   33.220   1.2270 -0.000000 0.000000 
1 1 1   65   11    1 o   14.870   1.7940 -0.2075000 3.589000 
1 1 1   65   11    2 o   26.680   1.0480 3.167000 2.095000 
1 1 1   65   11    3 o   25.510   1.1190 -5.023000 2.238000 
1 1 1   65   11    4 o   35.780   0.8418 -0.2122000 1.684000 
1 1 1   65   11    5 o   16.580   1.6490 1.610000 3.299000 
1 1 1   65   11    6 o   42.860   0.8033 -0.5261000 1.607000 
1 1 1   65   11    7 o   9.3750   2.2870 0.9667000 4.574000 
1 1 1   65   11    8 o   32.960   0.9066 1.349000 1.813000 
1 1 1   65   11    9 o   18.780   1.5390 -2.040000 3.079000 
1 1 1   65   11   10 o   7.4090   2.0960 4.503000 4.192000 
1 1 1   65   11   11 o   36.590   0.9060 1.942000 1.812000 
1 1 1   65   11   12 f   11.160   2.2990 -4.163000 4.599000 
1 1 1   65   11   13 o   14.760   2.0390 -0.5933000 4.077000 
1 1 1   65   11   14 o   9.0860   2.3900 0.2016000E-01 4.781000 
1 1 1   65   11   15 o   24.120   1.2850 -0.7188000 2.570000 
1 1 1   65   11   16 o   10.890   2.3740 4.383000 4.749000 
1 1 1   65   11   17 o   11.530   2.2420 5.238000 4.483000 
1 1 1   65   11   18 o   9.8420   2.3900 0.8102000 4.781000 
1 1 1   65   11   19 o   14.330   2.0540 -1.660000 4.109000 
1 1 1   65   11   20 o   6.4830   2.0300 -0.9920000 4.060000 
1 1 1   65   11   21 o   10.500   2.2110 -3.025000 4.421000 
1 1 1   65   11   22 f   8.0520   2.0250 -5.396000 4.051000 
1 1 1   65   11   23 o   13.770   1.8890 -2.810000 3.777000 
1 1 1   65   12    0 o   6.5800   2.9370 -0.000000 0.000000 
1 1 1   65   12    1 o   9.8750   2.3420 1.877000 4.683000 
1 1 1   65   12    2 o   7.2330   2.1520 -2.098000 4.304000 
1 1 1   65   12    3 o   20.360   1.4100 3.513000 2.820000 
1 1 1   65   12    4 o   9.3100   2.3280 0.5826000 4.655000 
1 1 1   65   12    5 o   10.700   2.2380 5.451000 4.477000 
1 1 1   65   12    6 o   31.540   0.9835 -0.4092000 1.967000 
1 1 1   65   12    7 o   11.420   2.3440 -0.2707000 4.687000 
1 1 1   65   12    8 o   13.910   2.1480 -3.451000 4.296000 
1 1 1   65   12    9 o   12.850   2.2030 -3.427000 4.405000 
1 1 1   65   12   10 o   13.590   2.1710 -3.223000 4.341000 
1 1 1   65   12   11 o   7.4670   2.2230 -1.344000 4.447000 
1 1 1   65   12   12 o   8.0690   2.3190 -1.722000 4.639000 
1 1 1   65   12   13 o   21.750   1.4590 -1.763000 2.918000 
1 1 1   65   12   14 o   18.360   1.6880 -2.111000 3.376000 
1 1 1   65   12   15 o   10.760   2.4390 2.963000 4.878000 
1 1 1   65   12   16 o   26.980   1.1950 -2.500000 2.391000 
1 1 1   65   12   17 o   8.7140   2.2860 -1.657000 4.572000 
1 1 1   65   12   18 o   6.2920   2.0000 0.4391000 4.000000 
1 1 1   65   12   19 o   8.7920   2.2820 0.1604000 4.563000 
1 1 1   65   12   20 o   14.270   1.9010 1.426000 3.802000 
1 1 1   65   12   21 o   8.7470   2.2400 0.3586000 4.479000 
1 1 1   65   12   22 o   16.890   1.6050 -6.985000 3.210000 
1 1 1   65   13    0 o   23.060   1.8780 -0.000000 0.000000 
1 1 1   65   13    1 o   29.640   1.0890 1.130000 2.178000 
1 1 1   65   13    2 o   22.420   1.3870 -1.147000 2.775000 
1 1 1   65   13    3 o   19.510   1.5600 -0.1647000 3.120000 
1 1 1   65   13    4 o   24.890   1.2060 2.086000 2.413000 
1 1 1   65   13    5 o   28.410   1.1370 5.097000 2.273000 
1 1 1   65   13    6 o   25.280   1.2400 1.334000 2.481000 
1 1 1   65   13    7 o   41.420   0.8856 2.524000 1.771000 
1 1 1   65   13    8 o   15.950   2.0860 -10.27000 4.173000 
1 1 1   65   13    9 o   24.350   1.2920 -1.132000 2.583000 
1 1 1   65   13   10 o   19.710   1.6160 0.8060000 3.232000 
1 1 1   65   13   11 o   14.370   2.1380 -9.015000 4.275000 
1 1 1   65   13   12 o   12.110   2.1640 8.243000 4.329000 
1 1 1   65   13   13 o   7.9060   2.2180 -4.598000 4.435000 
1 1 1   65   13   14 o   11.280   2.4510 2.279000 4.903000 
1 1 1   65   13   15 o   14.160   2.0280 6.210000 4.057000 
1 1 1   65   13   16 o   15.290   1.8680 -1.609000 3.736000 
1 1 1   65   13   17 o   11.240   2.2560 3.383000 4.513000 
1 1 1   65   13   18 o   9.2120   2.2960 0.7565000 4.593000 
1 1 1   65   13   19 o   12.490   2.0730 -3.759000 4.146000 
1 1 1   65   13   20 o   7.2820   2.1400 0.4635000 4.280000 
1 1 1   65   13   21 o   6.4320   2.0060 -2.291000 4.012000 
1 1 1   65   14    0 f   17.980   2.5940 -0.000000 0.000000 
1 1 1   65   14    1 o   17.850   1.8210 -1.771000 3.641000 
1 1 1   65   14    2 o   35.030   1.0070 1.823000 2.014000 
1 1 1   65   14    3 o   24.190   1.3990 6.846000 2.798000 
1 1 1   65   14    4 o   6.9030   2.1850 0.9498000 4.370000 
1 1 1   65   14    5 o   24.890   1.2780 0.3603000 2.557000 
1 1 1   65   14    6 o   24.990   1.3270 3.574000 2.655000 
1 1 1   65   14    7 o   13.490   2.3140 1.385000 4.627000 
1 1 1   65   14    8 o   13.940   2.3120 -3.700000 4.623000 
1 1 1   65   14    9 o   6.8450   2.1680 -1.324000 4.336000 
1 1 1   65   14   10 o   14.230   2.2670 -2.688000 4.534000 
1 1 1   65   14   11 o   21.900   1.3630 0.9885000 2.727000 
1 1 1   65   14   12 o   10.340   2.4390 -0.6338000 4.877000 
1 1 1   65   14   13 o   7.1800   2.1560 -3.299000 4.312000 
1 1 1   65   14   14 o   9.7670   2.3840 -1.570000 4.767000 
1 1 1   65   14   15 o   16.950   1.7910 -4.767000 3.582000 
1 1 1   65   14   16 o   7.6980   2.2520 -0.9675000E-01 4.503000 
1 1 1   65   14   17 o   8.6980   2.3010 -0.1196000 4.603000 
1 1 1   65   14   18 o   7.9320   2.2230 -0.4317000 4.447000 
1 1 1   65   14   19 o   9.8500   2.2620 -0.7811000 4.525000 
1 1 1   65   14   20 o   6.9120   2.0460 2.564000 4.092000 
1 1 1   65   15    0 o   22.580   1.9920 -0.000000 0.000000 
1 1 1   65   15    1 o   11.880   2.4380 1.203000 4.876000 
1 1 1   65   15    2 o   8.6920   2.4230 -1.472000 4.846000 
1 1 1   65   15    3 o   21.320   1.5350 0.2884000 3.070000 
1 1 1   65   15    4 o   23.320   1.4410 -1.683000 2.881000 
1 1 1   65   15    5 o   7.8700   2.3520 -0.9792000 4.705000 
1 1 1   65   15    6 o   7.2400   3.1620      ?      ? 
1 1 1   65   15    7 o   23.540   1.4360 2.279000 2.872000 
1 1 1   65   15    8 o   24.580   1.2590 2.222000 2.517000 
1 1 1   65   15    9 o   21.980   1.3500 -2.310000 2.700000 
1 1 1   65   15   10 o   10.300   2.3250 4.323000 4.650000 
1 1 1   65   15   11 o   9.5500   2.4190 1.403000 4.838000 
1 1 1   65   15   12 o   19.640   1.5380 -2.788000 3.075000 
1 1 1   65   15   13 o   11.890   2.2880 -5.139000 4.577000 
1 1 1   65   15   14 o   10.610   2.3110 3.808000 4.623000 
1 1 1   65   15   15 o   9.8340   2.3010 2.539000 4.602000 
1 1 1   65   15   16 o   8.0070   2.1610 -3.723000 4.323000 
1 1 1   65   15   17 o   9.7580   2.2400 2.485000 4.481000 
1 1 1   65   15   18 o   10.750   2.2380 0.9695000 4.475000 
1 1 1   65   16    0 o   8.0550   3.3410 -0.000000 0.000000 
1 1 1   65   16    1 o   7.7320   2.3060 -2.106000 4.612000 
1 1 1   65   16    2 o   15.620   3.0680      ?      ? 
1 1 1   65   16    3 o   7.4730   2.3100 0.8679000 4.620000 
1 1 1   65   16    4 o   25.850   1.2410 0.2400000 2.481000 
1 1 1   65   16    5 o   16.970   1.9090 2.573000 3.818000 
1 1 1   65   16    6 o   8.1600   2.2510 -4.457000 4.502000 
1 1 1   65   16    7 o   14.730   2.1170 -6.999000 4.235000 
1 1 1   65   16    8 o   13.650   2.2370 -4.680000 4.474000 
1 1 1   65   16    9 o   16.490   1.8890 -3.706000 3.777000 
1 1 1   65   16   10 o   8.1460   2.2660 -4.262000 4.533000 
1 1 1   65   16   11 o   7.0970   2.1220 -4.363000 4.243000 
1 1 1   65   16   12 o   16.780   1.8010 0.5324000 3.602000 
1 1 1   65   16   13 o   13.680   2.0850 -6.836000 4.169000 
1 1 1   65   16   14 o   7.6860   2.2180 1.061000 4.436000 
1 1 1   65   16   15 o   6.8620   2.0770 2.043000 4.155000 
1 1 1   65   16   16 o   8.9790   2.2650 -3.705000 4.530000 
1 1 1   65   16   17 o   10.750   4.3790      ?      ? 
1 1 1   65   17    0 f   9.4250   3.3370 -0.000000 0.000000 
1 1 1   65   17    1 o   8.6740   2.3250 1.276000 4.651000 
1 1 1   65   17    2 o   11.830   2.4310 1.633000 4.862000 
1 1 1   65   17    3 o   12.820   2.3600 1.078000 4.720000 
1 1 1   65   17    4 o   8.1130   2.1580 4.872000 4.315000 
1 1 1   65   17    5 o   9.6200   2.2640 -6.745000 4.528000 
1 1 1   65   17    6 o   9.9390   2.4560 -2.493000 4.911000 
1 1 1   65   17    7 o   9.3460   2.2790 4.079000 4.557000 
1 1 1   65   17    8 o   6.5330   2.0940 0.5600000E-02 4.187000 
1 1 1   65   17    9 o   10.510   2.2730 4.643000 4.546000 
1 1 1   65   17   10 o   17.430   1.7830 0.1204000 3.566000 
1 1 1   65   17   11 o   7.7990   2.2620 -0.8348000 4.525000 
1 1 1   65   17   12 o   10.390   2.1100 6.833000 4.219000 
1 1 1   65   17   13 o   11.360   2.3600 0.3453000 4.720000 
1 1 1   65   17   14 o   7.8080   2.2340 1.589000 4.468000 
1 1 1   65   18    0 o   22.000   1.8380 -0.000000 0.000000 
1 1 1   65   18    1 o   10.880   2.3410 1.531000 4.681000 
1 1 1   65   18    2 o   8.4150   2.3120 0.1629000 4.625000 
1 1 1   65   18    3 o   11.610   2.3140 0.7978000 4.628000 
1 1 1   65   18    4 o   8.1970   2.2060 3.362000 4.412000 
1 1 1   65   18    5 o   6.2470   2.0220 -1.324000 4.044000 
1 1 1   65   18    6 o   8.4280   2.2640 0.9166000 4.528000 
1 1 1   65   18    7 o   6.3370   1.9780 2.595000 3.955000 
1 1 1   65   18    8 o   5.9030   1.9120 1.684000 3.823000 
1 1 1   65   18    9 o   14.990   1.9710 -0.1331000 3.942000 
1 1 1   65   18   10 o   13.300   2.2190 0.7869000 4.438000 
1 1 1   65   18   11 o   9.4150   2.3830 -1.033000 4.766000 
1 1 1   65   18   12 o   9.5760   2.8730 -1.518000 5.745000 
1 1 1   65   19    0 o   6.4540   2.9100 -0.000000 0.000000 
1 1 1   65   19    1 o   7.2880   2.1860 0.4538000E-01 4.371000 
1 1 1   65   19    2 o   6.3630   2.0290 -0.8004000 4.058000 
1 1 1   65   19    3 o   8.8330   2.2960 1.736000 4.592000 
1 1 1   65   19    4 o   8.4870   2.2960 -1.050000 4.593000 
1 1 1   65   19    5 o   8.8180   2.3200 -0.4782000 4.640000 
1 1 1   65   19    6 o   7.5450   2.1570 2.961000 4.313000 
1 1 1   65   19    7 o   9.4370   2.2470 2.723000 4.494000 
1 1 1   65   19    8 o   7.8960   2.2260 -0.2993000 4.453000 
1 1 1   66    0    0 o   30.740   1.6110 -0.000000 0.000000 
1 1 1   66    0    1 o   45.060   0.9869 -0.000000 0.000000 
1 1 1   66    0    2 o   63.290   1.0700 -0.000000 0.000000 
1 1 1   66    0    3 o   79.050   1.2500 -0.000000 0.000000 
1 1 1   66    0    4 o   62.810   1.0630 -0.000000 0.000000 
1 1 1   66    0    5 o   39.830   0.9676 -0.000000 0.000000 
1 1 1   66    0    6 o   38.130   0.9873 -0.000000 0.000000 
1 1 1   66    0    7 f   5.5990   2.5000 -0.000000 0.000000 
1 1 1   66    0    8 o   11.760   2.5100 -0.000000 0.000000 
1 1 1   66    0    9 f   7.4390   2.8620 -0.000000 0.000000 
1 1 1   66    0   10 o   40.170   0.9981 -0.000000 0.000000 
1 1 1   66    0   11 o   23.480   1.3660 -0.000000 0.000000 
1 1 1   66    0   12 o   28.510   1.2060 -0.000000 0.000000 
1 1 1   66    0   13 o   18.340   1.8170 -0.000000 0.000000 
1 1 1   66    0   14 o   53.860   1.0580 -0.000000 0.000000 
1 1 1   66    0   15 o   6.1440   2.7250 -0.000000 0.000000 
1 1 1   66    0   16 o   12.840   2.6840 -0.000000 0.000000 
1 1 1   66    0   17 o   7.2150   2.9840 -0.000000 0.000000 
1 1 1   66    0   18 o   36.050   1.1700 -0.000000 0.000000 
1 1 1   66    0   19 o   16.600   2.2620 -0.000000 0.000000 
1 1 1   66    0   20 o   31.450   1.2410 -0.000000 0.000000 
1 1 1   66    0   21 o   6.1620   2.7560 -0.000000 0.000000 
1 1 1   66    0   22 o   12.960   2.7650 -0.000000 0.000000 
1 1 1   66    0   23 o   7.2640   2.9480 -0.000000 0.000000 
1 1 1   66    0   24 o   8.9440   3.0560 -0.000000 0.000000 
1 1 1   66    0   25 o   11.150   2.9140 -0.000000 0.000000 
1 1 1   66    0   26 o   5.4310   2.5080 -0.000000 0.000000 
1 1 1   66    0   27 o   6.1530   2.6470 -0.000000 0.000000 
1 1 1   66    0   28 o   10.290   2.7150 -0.000000 0.000000 
1 1 1   66    1    0 o   18.050   1.1980 -0.000000 0.000000 
1 1 1   66    1    1 o   29.910   0.5687 -0.2947000 1.137000 
1 1 1   66    1    2 o   38.640   0.6161 2.272000 1.232000 
1 1 1   66    1    3 o   29.110   0.5998 3.433000 1.200000 
1 1 1   66    1    4 o   75.380   0.6907 0.3405000 1.381000 
1 1 1   66    1    5 f   59.100   0.5875 -0.1035000 1.175000 
1 1 1   66    1    6 o   31.260   0.5746 3.886000 1.149000 
1 1 1   66    1    7 o   28.660   0.6947 -0.4327000 1.389000 
1 1 1   66    1    8 o   42.960   0.6075 -1.906000 1.215000 
1 1 1   66    1    9 o   11.690   1.6080 1.729000 3.216000 
1 1 1   66    1   10 o   22.350   0.8659 0.8128000E-01 1.732000 
1 1 1   66    1   11 o   27.300   0.7612 2.063000 1.522000 
1 1 1   66    1   12 o   18.300   1.0640 -1.832000 2.128000 
1 1 1   66    1   13 o   44.420   0.6422 -2.071000 1.284000 
1 1 1   66    1   14 o   50.870   0.7327 -0.6625000 1.465000 
1 1 1   66    1   15 o   40.340   0.7600 -1.621000 1.520000 
1 1 1   66    1   16 o   34.590   0.8191 -4.235000 1.638000 
1 1 1   66    1   17 o   18.240   1.4110 -1.281000 2.823000 
1 1 1   66    1   18 o   8.8510   2.1780 2.977000 4.355000 
1 1 1   66    1   19 o   13.540   1.9260 -1.304000 3.853000 
1 1 1   66    1   20 o   23.230   1.1110 -0.9281000 2.223000 
1 1 1   66    1   21 o   20.550   1.2520 -2.738000 2.504000 
1 1 1   66    1   22 o   6.8450   2.0550 -0.2589000 4.109000 
1 1 1   66    1   23 o   12.980   1.8920 -1.413000 3.785000 
1 1 1   66    1   24 o   11.190   2.0720 0.3273000 4.145000 
1 1 1   66    1   25 o   9.1480   2.1370 0.9222000 4.274000 
1 1 1   66    1   26 o   6.3790   1.9280 -1.425000 3.857000 
1 1 1   66    1   27 o   5.4990   1.7600 0.6319000 3.521000 
1 1 1   66    1   28 o   6.9240   1.9260 1.466000 3.852000 
1 1 1   66    2    0 f   61.710   0.8486 -0.000000 0.000000 
1 1 1   66    2    1 o   42.590   0.5343 0.5983000 1.069000 
1 1 1   66    2    2 o   19.910   0.7954 2.055000 1.591000 
1 1 1   66    2    3 o   60.720   0.5970 0.1439000 1.194000 
1 1 1   66    2    4 o   30.400   0.5798 0.9503000 1.160000 
1 1 1   66    2    5 o   30.660   0.6422 -0.1522000 1.284000 
1 1 1   66    2    6 o   42.950   0.5403 2.856000 1.081000 
1 1 1   66    2    7 o   65.030   0.6245 4.395000 1.249000 
1 1 1   66    2    8 o   18.780   0.9518 -4.950000 1.904000 
1 1 1   66    2    9 o   37.790   0.5563 4.255000 1.113000 
1 1 1   66    2   10 o   42.670   0.5504 -0.4109000 1.101000 
1 1 1   66    2   11 o   13.670   1.2360 -3.809000 2.472000 
1 1 1   66    2   12 o   6.0120   1.7380 0.7468000 3.477000 
1 1 1   66    2   13 o   50.990   0.5760 0.4414000 1.152000 
1 1 1   66    2   14 o   21.370   0.8708 2.024000 1.742000 
1 1 1   66    2   15 o   14.750   1.2930 1.411000 2.586000 
1 1 1   66    2   16 o   29.850   0.6894 -1.714000 1.379000 
1 1 1   66    2   17 o   6.4940   1.8950 0.7113000 3.790000 
1 1 1   66    2   18 o   15.470   1.4830 -3.248000 2.966000 
1 1 1   66    2   19 o   20.970   1.0890 -2.781000 2.179000 
1 1 1   66    2   20 o   23.080   0.9771 -0.6900000E-01 1.954000 
1 1 1   66    2   21 o   19.670   1.1890 1.659000 2.378000 
1 1 1   66    2   22 o   20.970   1.1070 4.303000 2.215000 
1 1 1   66    2   23 o   7.8440   1.9860 1.423000 3.973000 
1 1 1   66    2   24 o   5.6810   2.6060      ?      ? 
1 1 1   66    2   25 o   9.5300   1.9530 5.452000 3.905000 
1 1 1   66    2   26 o   14.400   1.6600 3.125000 3.320000 
1 1 1   66    2   27 o   12.460   1.7860 -2.368000 3.571000 
1 1 1   66    2   28 o   6.2690   1.8600 -1.952000 3.719000 
1 1 1   66    3    0 o   4.6830   2.1760 -0.000000 0.000000 
1 1 1   66    3    1 f   13.630   1.3390 0.9913000 2.677000 
1 1 1   66    3    2 o   29.030   0.7110 1.610000 1.422000 
1 1 1   66    3    3 o   45.570   0.6523 -1.551000 1.305000 
1 1 1   66    3    4 o   16.160   1.2100 3.447000 2.419000 
1 1 1   66    3    5 o   11.110   1.6380 3.244000 3.275000 
1 1 1   66    3    6 o   10.920   1.7340 -2.296000 3.468000 
1 1 1   66    3    7 o   25.360   0.7879 1.568000 1.576000 
1 1 1   66    3    8 o   11.770   1.6220 -2.864000 3.244000 
1 1 1   66    3    9 o   45.670   0.6634 -3.087000 1.327000 
1 1 1   66    3   10 o   27.300   0.7995 4.381000 1.599000 
1 1 1   66    3   11 f   11.650   1.6260 1.988000 3.251000 
1 1 1   66    3   12 o   51.270   0.6366 2.232000 1.273000 
1 1 1   66    3   13 o   26.470   0.7730 -3.590000 1.546000 
1 1 1   66    3   14 o   33.410   0.7068 2.443000 1.414000 
1 1 1   66    3   15 o   28.110   0.7906 -0.3275000 1.581000 
1 1 1   66    3   16 o   33.140   0.7245 0.6175000 1.449000 
1 1 1   66    3   17 o   13.510   1.5900 -0.2802000 3.180000 
1 1 1   66    3   18 o   25.070   0.8251 0.5186000E-01 1.650000 
1 1 1   66    3   19 o   11.880   1.7490 8.048000 3.498000 
1 1 1   66    3   20 o   9.2820   1.9560 1.490000 3.912000 
1 1 1   66    3   21 o   21.160   0.9714 -0.7249000 1.943000 
1 1 1   66    3   22 o   25.180   0.8375 -0.9153000 1.675000 
1 1 1   66    3   23 o   14.480   1.5300 8.310000 3.059000 
1 1 1   66    3   24 o   12.510   1.7360 2.455000 3.473000 
1 1 1   66    3   25 o   7.1230   1.9590 -0.4955000 3.918000 
1 1 1   66    3   26 o   12.070   1.7030 1.460000 3.406000 
1 1 1   66    3   27 o   7.4990   1.8680 -4.510000 3.736000 
1 1 1   66    3   28 o   7.1950   2.0100 -4.053000 4.020000 
1 1 1   66    4    0 o   18.520   1.4030 -0.000000 0.000000 
1 1 1   66    4    1 o   24.820   0.7952 1.363000 1.590000 
1 1 1   66    4    2 o   35.810   0.6698 -2.712000 1.340000 
1 1 1   66    4    3 f   14.210   1.3370 -2.709000 2.674000 
1 1 1   66    4    4 o   38.490   0.6648 3.750000 1.330000 
1 1 1   66    4    5 o   29.150   0.7274 -1.631000 1.455000 
1 1 1   66    4    6 o   44.270   0.6574 2.363000 1.315000 
1 1 1   66    4    7 o   42.490   0.6591 -2.770000 1.318000 
1 1 1   66    4    8 o   7.7860   1.9350 -0.9123000 3.869000 
1 1 1   66    4    9 o   44.390   0.6709 -2.807000 1.342000 
1 1 1   66    4   10 o   34.760   0.7072 -0.4430000 1.414000 
1 1 1   66    4   11 o   39.530   0.6928 2.310000 1.386000 
1 1 1   66    4   12 o   25.560   0.8695 -4.119000 1.739000 
1 1 1   66    4   13 o   17.930   1.6520      ?      ? 
1 1 1   66    4   14 o   27.520   0.8624 0.1640000E-01 1.725000 
1 1 1   66    4   15 o   40.150   0.7371 -0.7895000 1.474000 
1 1 1   66    4   16 f   22.250   1.0640 0.6589000 2.127000 
1 1 1   66    4   17 o   30.090   0.8559 1.108000 1.712000 
1 1 1   66    4   18 o   15.500   1.5690 3.805000 3.139000 
1 1 1   66    4   19 o   25.700   0.9185 2.906000 1.837000 
1 1 1   66    4   20 o   15.010   1.5760 0.4720000 3.152000 
1 1 1   66    4   21 o   7.2390   2.0420 -0.8088000 4.085000 
1 1 1   66    4   22 o   7.5650   2.0630 -1.228000 4.126000 
1 1 1   66    4   23 o   17.150   1.3660 2.680000 2.732000 
1 1 1   66    4   24 o   5.7870   1.8190 -0.1038000 3.639000 
1 1 1   66    4   25 o   15.760   1.3800 -0.7858000 2.760000 
1 1 1   66    4   26 o   20.650   0.9045 1.476000 1.809000 
1 1 1   66    4   27 o   8.7150   1.7110 4.296000 3.421000 
1 1 1   66    5    0 o   5.4320   2.4110 -0.000000 0.000000 
1 1 1   66    5    1 o   71.980   0.8214 -0.5307000 1.643000 
1 1 1   66    5    2 o   38.240   0.6674 -2.420000 1.335000 
1 1 1   66    5    3 o   32.010   0.7144 0.3453000 1.429000 
1 1 1   66    5    4 o   6.5160   1.8580 1.127000 3.716000 
1 1 1   66    5    5 o   29.770   0.7474 -1.820000 1.495000 
1 1 1   66    5    6 o   18.500   1.0910 3.330000 2.181000 
1 1 1   66    5    7 o   35.900   0.6950 -2.749000 1.390000 
1 1 1   66    5    8 o   46.590   0.6835 1.863000 1.367000 
1 1 1   66    5    9 o   42.860   0.6781 2.800000 1.356000 
1 1 1   66    5   10 o   38.020   0.7067 1.836000 1.413000 
1 1 1   66    5   11 o   21.860   1.0120 -4.923000 2.025000 
1 1 1   66    5   12 o   13.420   1.6980 6.945000 3.395000 
1 1 1   66    5   13 f   28.360   0.8536 -0.7588000 1.707000 
1 1 1   66    5   14 f   14.620   1.6280 0.6310000 3.255000 
1 1 1   66    5   15 o   21.340   1.1410 -2.273000 2.282000 
1 1 1   66    5   16 o   34.380   0.8057 -0.6528000 1.611000 
1 1 1   66    5   17 o   30.640   0.8551 -0.1490000 1.710000 
1 1 1   66    5   18 o   13.870   1.8260 1.508000 3.653000 
1 1 1   66    5   19 o   18.150   1.4230 -2.264000 2.846000 
1 1 1   66    5   20 o   18.700   1.3790 -1.394000 2.759000 
1 1 1   66    5   21 o   7.5910   2.1410 -1.597000 4.283000 
1 1 1   66    5   22 o   18.400   1.3910 0.8990000 2.782000 
1 1 1   66    5   23 o   9.8660   2.1700 -2.315000 4.339000 
1 1 1   66    5   24 o   7.5610   2.0060 -4.370000 4.011000 
1 1 1   66    5   25 o   12.280   1.8300 4.757000 3.660000 
1 1 1   66    5   26 o   10.450   1.9460 -1.063000 3.893000 
1 1 1   66    5   27 o   8.9670   1.9850 -0.3468000 3.969000 
1 1 1   66    6    0 o   7.7240   2.8050 -0.000000 0.000000 
1 1 1   66    6    1 o   21.550   0.9678 -6.005000 1.936000 
1 1 1   66    6    2 o   27.260   0.8065 3.240000 1.613000 
1 1 1   66    6    3 o   16.970   1.2230 0.2902000 2.445000 
1 1 1   66    6    4 o   26.530   0.8233 2.931000 1.647000 
1 1 1   66    6    5 o   14.610   1.4130 2.666000 2.826000 
1 1 1   66    6    6 o   7.2000   1.9590 1.033000 3.917000 
1 1 1   66    6    7 o   30.690   0.7616 0.9428000 1.523000 
1 1 1   66    6    8 o   21.130   1.0000 0.2442000 2.001000 
1 1 1   66    6    9 o   21.660   0.9846 4.027000 1.969000 
1 1 1   66    6   10 o   22.500   0.9958 -2.574000 1.992000 
1 1 1   66    6   11 o   17.560   1.2790 3.409000 2.558000 
1 1 1   66    6   12 f   13.340   1.6910 10.63000 3.383000 
1 1 1   66    6   13 o   36.140   0.7728 0.2592000E-01 1.546000 
1 1 1   66    6   14 o   11.100   2.0040 4.479000 4.008000 
1 1 1   66    6   15 o   12.720   1.9400 -4.715000 3.879000 
1 1 1   66    6   16 o   24.470   1.0580 1.967000 2.117000 
1 1 1   66    6   17 o   37.250   0.7935 -0.8031000 1.587000 
1 1 1   66    6   18 o   22.000   1.1770 0.8735000 2.354000 
1 1 1   66    6   19 f   7.6570   2.0950 2.613000 4.190000 
1 1 1   66    6   20 o   15.330   1.7520 -2.444000 3.504000 
1 1 1   66    6   21 o   10.290   2.1980 -1.963000 4.395000 
1 1 1   66    6   22 o   5.6020   1.8400 -0.7123000 3.680000 
1 1 1   66    6   23 o   7.7570   2.1230 -3.275000 4.246000 
1 1 1   66    6   24 o   9.5370   2.0140 -6.349000 4.028000 
1 1 1   66    6   25 o   7.3620   2.0990 0.4316000 4.199000 
1 1 1   66    6   26 o   18.360   1.3320 -0.3333000 2.664000 
1 1 1   66    6   27 o   15.330   2.0900 7.475000 4.179000 
1 1 1   66    7    0 o   5.2840   2.4180 -0.000000 0.000000 
1 1 1   66    7    1 o   43.750   0.6891 4.156000 1.378000 
1 1 1   66    7    2 o   34.760   0.7164 0.9012000 1.433000 
1 1 1   66    7    3 o   21.360   1.0340 -0.4906000 2.069000 
1 1 1   66    7    4 f   33.660   0.7436 -2.083000 1.487000 
1 1 1   66    7    5 o   40.070   0.7095 0.9858000 1.419000 
1 1 1   66    7    6 o   30.300   0.7903 -3.047000 1.581000 
1 1 1   66    7    7 o   9.6210   2.0330 -0.9376000 4.065000 
1 1 1   66    7    8 o   54.240   0.7248 -1.913000 1.450000 
1 1 1   66    7    9 o   9.9080   1.8700 -6.171000 3.740000 
1 1 1   66    7   10 o   31.730   0.8021 1.658000 1.604000 
1 1 1   66    7   11 o   29.000   0.8612 2.313000 1.722000 
1 1 1   66    7   12 o   11.680   1.9850 0.3844000 3.970000 
1 1 1   66    7   13 o   20.910   1.2110 -6.124000 2.423000 
1 1 1   66    7   14 o   9.0360   2.0380 -5.079000 4.077000 
1 1 1   66    7   15 o   32.510   0.8641 -3.663000 1.728000 
1 1 1   66    7   16 o   35.290   0.8647 -2.213000 1.729000 
1 1 1   66    7   17 o   18.520   1.4260 -1.566000 2.853000 
1 1 1   66    7   18 o   12.810   2.0340 -3.679000 4.068000 
1 1 1   66    7   19 o   19.130   1.3790 -0.4031000 2.759000 
1 1 1   66    7   20 o   11.720   2.1320 3.039000 4.265000 
1 1 1   66    7   21 o   14.590   1.8710 7.388000 3.742000 
1 1 1   66    7   22 o   5.9770   1.9180 -1.165000 3.835000 
1 1 1   66    7   23 o   9.2590   2.1510 3.422000 4.302000 
1 1 1   66    7   24 o   8.4320   2.1290 3.204000 4.259000 
1 1 1   66    7   25 o   14.760   1.7250 -0.9318000 3.450000 
1 1 1   66    7   26 o   8.4310   2.1270 2.732000 4.255000 
1 1 1   66    8    0 o   32.570   1.0920 -0.000000 0.000000 
1 1 1   66    8    1 o   13.220   1.7160 -1.429000 3.431000 
1 1 1   66    8    2 o   38.900   0.7241 3.449000 1.448000 
1 1 1   66    8    3 o   39.920   0.7288 0.4632000 1.458000 
1 1 1   66    8    4 o   28.360   0.8512 -0.5177000 1.702000 
1 1 1   66    8    5 o   55.690   0.7383 -1.031000 1.477000 
1 1 1   66    8    6 o   31.410   0.8069 2.030000 1.614000 
1 1 1   66    8    7 o   34.600   0.7808 -2.037000 1.562000 
1 1 1   66    8    8 o   31.550   0.8177 -1.700000 1.635000 
1 1 1   66    8    9 o   20.760   1.1110 -1.262000 2.221000 
1 1 1   66    8   10 o   21.750   1.1040 2.107000 2.208000 
1 1 1   66    8   11 o   26.900   0.9383 -3.436000 1.877000 
1 1 1   66    8   12 o   35.990   0.8087 1.675000 1.617000 
1 1 1   66    8   13 o   26.990   0.9994 -3.773000 1.999000 
1 1 1   66    8   14 o   25.520   1.0410 -2.857000 2.082000 
1 1 1   66    8   15 o   10.590   2.0670 5.973000 4.135000 
1 1 1   66    8   16 o   9.3220   2.2030 -4.569000 4.406000 
1 1 1   66    8   17 o   30.890   0.9760 -1.653000 1.952000 
1 1 1   66    8   18 o   30.130   1.0020 1.086000 2.004000 
1 1 1   66    8   19 o   8.7290   2.2530 -2.847000 4.506000 
1 1 1   66    8   20 o   8.6270   2.2080 3.856000 4.415000 
1 1 1   66    8   21 o   18.970   1.4520 -3.700000 2.905000 
1 1 1   66    8   22 f   18.650   1.5160 4.179000 3.032000 
1 1 1   66    8   23 o   9.1440   2.1270 -5.683000 4.253000 
1 1 1   66    8   24 o   8.5450   2.2570 1.176000 4.514000 
1 1 1   66    8   25 o   10.940   2.2080 1.881000 4.415000 
1 1 1   66    9    0 o   25.530   1.3430 -0.000000 0.000000 
1 1 1   66    9    1 o   20.040   1.1750 3.258000 2.350000 
1 1 1   66    9    2 o   10.840   2.0540 -1.423000 4.107000 
1 1 1   66    9    3 o   54.450   0.7405 -1.535000 1.481000 
1 1 1   66    9    4 o   16.630   1.4040 -0.3640000 2.808000 
1 1 1   66    9    5 o   17.740   1.3000 -2.646000 2.600000 
1 1 1   66    9    6 o   31.970   0.8348 1.109000 1.670000 
1 1 1   66    9    7 o   36.730   0.7845 -2.141000 1.569000 
1 1 1   66    9    8 o   34.170   0.8156 -1.980000 1.631000 
1 1 1   66    9    9 o   22.270   1.1390 -0.8655000 2.277000 
1 1 1   66    9   10 o   49.120   0.7695 0.2362000E-01 1.539000 
1 1 1   66    9   11 o   39.980   0.7978 0.4192000E-01 1.596000 
1 1 1   66    9   12 o   28.290   0.9869 -0.5137000 1.974000 
1 1 1   66    9   13 o   23.530   1.6420      ?      ? 
1 1 1   66    9   14 o   11.960   2.0920 -3.691000 4.185000 
1 1 1   66    9   15 o   12.560   2.1910 -0.4567000 4.382000 
1 1 1   66    9   16 o   17.640   1.6380 -2.267000 3.276000 
1 1 1   66    9   17 f   14.720   1.9390 3.732000 3.879000 
1 1 1   66    9   18 o   15.080   1.9020 -0.5659000 3.804000 
1 1 1   66    9   19 o   14.270   2.0610 -3.916000 4.121000 
1 1 1   66    9   20 o   11.820   2.2830 1.398000 4.567000 
1 1 1   66    9   21 o   11.470   2.1580 -5.531000 4.315000 
1 1 1   66    9   22 o   9.0320   2.1540 -4.672000 4.309000 
1 1 1   66    9   23 o   9.2980   2.2460 1.373000 4.492000 
1 1 1   66    9   24 o   8.7080   2.2380 -2.112000 4.476000 
1 1 1   66    9   25 o   7.8140   2.0700 -4.599000 4.141000 
1 1 1   66   10    0 o   16.170   2.1710 -0.000000 0.000000 
1 1 1   66   10    1 o   32.160   0.8755 -2.008000 1.751000 
1 1 1   66   10    2 o   25.160   1.0170 0.9466000 2.034000 
1 1 1   66   10    3 o   19.170   1.3270 2.366000 2.654000 
1 1 1   66   10    4 o   11.560   1.9940 -5.889000 3.989000 
1 1 1   66   10    5 o   21.820   1.1270 -0.6382000 2.254000 
1 1 1   66   10    6 o   23.270   1.1040 0.4031000E-01 2.208000 
1 1 1   66   10    7 o   22.500   1.1750 -5.499000 2.349000 
1 1 1   66   10    8 o   67.930   0.8404 0.8343000 1.681000 
1 1 1   66   10    9 o   45.190   0.7732 0.5567000 1.546000 
1 1 1   66   10   10 o   20.920   1.3070 3.236000 2.614000 
1 1 1   66   10   11 o   21.100   1.2980 0.2740000E-01 2.596000 
1 1 1   66   10   12 o   28.600   1.0150 -1.253000 2.031000 
1 1 1   66   10   13 o   15.290   1.8600 -2.341000 3.720000 
1 1 1   66   10   14 o   15.490   1.8900 3.742000 3.779000 
1 1 1   66   10   15 o   8.6360   2.3470 -0.4725000 4.694000 
1 1 1   66   10   16 f   15.370   2.0080 -7.600000 4.015000 
1 1 1   66   10   17 o   11.900   2.2510 -2.654000 4.502000 
1 1 1   66   10   18 o   8.7390   2.2480 3.785000 4.496000 
1 1 1   66   10   19 o   9.0190   2.2950 2.045000 4.590000 
1 1 1   66   10   20 o   10.140   2.3650 0.3923000 4.730000 
1 1 1   66   10   21 o   10.880   2.1610 6.173000 4.322000 
1 1 1   66   10   22 o   19.160   1.4330 -1.071000 2.865000 
1 1 1   66   10   23 o   8.0160   2.1480 -2.633000 4.296000 
1 1 1   66   10   24 o   12.310   2.0850 -0.9607000 4.169000 
1 1 1   66   11    0 o   21.980   1.6840 -0.000000 0.000000 
1 1 1   66   11    1 o   9.7860   1.9680 6.890000 3.936000 
1 1 1   66   11    2 o   10.470   2.1650 -3.385000 4.329000 
1 1 1   66   11    3 o   16.330   1.7010 -3.693000 3.402000 
1 1 1   66   11    4 o   20.100   1.3510 1.422000 2.703000 
1 1 1   66   11    5 o   6.2150   1.9710 -1.627000 3.942000 
1 1 1   66   11    6 o   52.840   0.7923 -2.418000 1.585000 
1 1 1   66   11    7 o   14.820   1.8790 1.135000 3.759000 
1 1 1   66   11    8 o   28.800   1.0190 0.4360000 2.038000 
1 1 1   66   11    9 o   13.710   2.1000 0.7069000 4.199000 
1 1 1   66   11   10 o   21.360   1.3790 -3.723000 2.759000 
1 1 1   66   11   11 o   24.130   1.2600 -3.236000 2.521000 
1 1 1   66   11   12 o   10.660   2.3770 3.981000 4.753000 
1 1 1   66   11   13 o   15.730   1.9230 1.974000 3.845000 
1 1 1   66   11   14 o   9.9900   2.3780 3.736000 4.755000 
1 1 1   66   11   15 o   8.8250   2.3790 1.804000 4.759000 
1 1 1   66   11   16 o   19.800   1.5400 1.040000 3.080000 
1 1 1   66   11   17 o   13.210   2.2160 -0.4126000 4.433000 
1 1 1   66   11   18 o   18.090   1.6660 -2.845000 3.331000 
1 1 1   66   11   19 o   13.940   2.0400 8.865000 4.081000 
1 1 1   66   11   20 o   7.7260   2.1560 3.886000 4.312000 
1 1 1   66   11   21 o   9.8050   2.2370 -0.7472000 4.474000 
1 1 1   66   11   22 o   13.650   1.8850 -6.881000 3.770000 
1 1 1   66   11   23 o   11.620   2.0420 5.316000 4.084000 
1 1 1   66   12    0 o   13.030   3.0000 -0.000000 0.000000 
1 1 1   66   12    1 o   22.790   1.2510 -0.2038000 2.501000 
1 1 1   66   12    2 o   19.900   1.4430 -1.145000 2.886000 
1 1 1   66   12    3 f   20.070   1.4610 -4.164000 2.923000 
1 1 1   66   12    4 o   15.170   1.9860 -1.471000 3.972000 
1 1 1   66   12    5 o   32.500   0.9599 -1.139000 1.920000 
1 1 1   66   12    6 o   12.760   2.1870 -3.573000 4.374000 
1 1 1   66   12    7 o   15.010   2.0130 5.297000 4.027000 
1 1 1   66   12    8 o   7.6300   2.2060 -2.924000 4.411000 
1 1 1   66   12    9 o   8.4630   2.2500 4.061000 4.500000 
1 1 1   66   12   10 o   11.990   2.2590 -5.462000 4.518000 
1 1 1   66   12   11 o   10.440   2.4560 -1.237000 4.911000 
1 1 1   66   12   12 o   9.3890   2.2680 -4.803000 4.536000 
1 1 1   66   12   13 o   22.830   1.3950 -1.367000 2.789000 
1 1 1   66   12   14 o   17.340   1.9430 -9.428000 3.886000 
1 1 1   66   12   15 o   7.0630   2.2060 1.492000 4.413000 
1 1 1   66   12   16 o   11.010   2.4710 1.525000 4.943000 
1 1 1   66   12   17 o   14.680   2.0560 5.381000 4.112000 
1 1 1   66   12   18 o   7.0100   2.0790 -3.333000 4.158000 
1 1 1   66   12   19 o   11.650   2.2100 -0.3694000 4.421000 
1 1 1   66   12   20 o   10.340   2.2120 -3.424000 4.424000 
1 1 1   66   12   21 o   9.4300   2.1370 -4.914000 4.275000 
1 1 1   66   12   22 o   13.170   1.9900 1.656000 3.979000 
1 1 1   66   13    0 o   35.900   1.3020 -0.000000 0.000000 
1 1 1   66   13    1 o   18.440   1.6400 1.477000 3.280000 
1 1 1   66   13    2 o   23.700   1.3100 3.643000 2.620000 
1 1 1   66   13    3 o   43.160   0.8793 -0.5859000 1.759000 
1 1 1   66   13    4 o   34.850   0.9837 -1.823000 1.967000 
1 1 1   66   13    5 o   12.310   2.3440 -0.9217000 4.688000 
1 1 1   66   13    6 o   10.050   2.4390 1.017000 4.878000 
1 1 1   66   13    7 o   15.730   2.0590 -5.127000 4.118000 
1 1 1   66   13    8 o   12.010   2.4020 3.132000 4.804000 
1 1 1   66   13    9 o   29.210   1.1080 -0.4474000 2.217000 
1 1 1   66   13   10 o   10.500   2.2500 6.456000 4.500000 
1 1 1   66   13   11 o   15.880   2.0700 5.086000 4.140000 
1 1 1   66   13   12 o   13.120   2.3130 -4.521000 4.627000 
1 1 1   66   13   13 o   10.260   2.4740 2.061000 4.948000 
1 1 1   66   13   14 o   7.7210   2.2610 2.726000 4.522000 
1 1 1   66   13   15 o   8.1970   2.2930 0.3884000 4.587000 
1 1 1   66   13   16 o   9.8440   2.1400 5.820000 4.280000 
1 1 1   66   13   17 o   8.4920   2.2490 2.139000 4.498000 
1 1 1   66   13   18 o   7.8620   2.1830 -3.024000 4.367000 
1 1 1   66   13   19 o   7.5850   2.1360 1.737000 4.273000 
1 1 1   66   13   20 o   11.290   2.1420 3.576000 4.283000 
1 1 1   66   13   21 o   12.510   2.0580 -4.677000 4.115000 
1 1 1   66   14    0 o   11.390   3.5430 -0.000000 0.000000 
1 1 1   66   14    1 o   26.880   1.2200 1.901000 2.440000 
1 1 1   66   14    2 o   15.580   2.0290 4.164000 4.058000 
1 1 1   66   14    3 o   8.4220   2.3540 3.143000 4.709000 
1 1 1   66   14    4 o   11.420   2.4090 4.530000 4.818000 
1 1 1   66   14    5 o   8.9030   2.1120 7.905000 4.225000 
1 1 1   66   14    6 o   19.950   1.6560 -1.724000 3.312000 
1 1 1   66   14    7 o   24.170   1.3900 -3.647000 2.780000 
1 1 1   66   14    8 o   27.870   1.2230 5.150000 2.446000 
1 1 1   66   14    9 o   22.930   1.9190      ?      ? 
1 1 1   66   14   10 o   13.560   2.3480 -0.2186000 4.696000 
1 1 1   66   14   11 o   13.640   2.2230 7.960000 4.446000 
1 1 1   66   14   12 f   12.130   2.3750 -0.4068000 4.751000 
1 1 1   66   14   13 o   11.840   2.1070 8.119000 4.215000 
1 1 1   66   14   14 o   10.010   2.3960 0.5473000 4.791000 
1 1 1   66   14   15 o   8.1350   2.2970 -1.299000 4.593000 
1 1 1   66   14   16 o   7.6360   2.1640 2.787000 4.327000 
1 1 1   66   14   17 o   6.1310   1.9730 -0.2731000 3.945000 
1 1 1   66   14   18 o   10.730   2.0990 -6.531000 4.198000 
1 1 1   66   14   19 o   6.9380   2.0850 0.3792000 4.170000 
1 1 1   66   14   20 o   9.6760   4.2200      ?      ? 
1 1 1   66   15    0 o   10.120   3.5870 -0.000000 0.000000 
1 1 1   66   15    1 o   10.660   2.5220 -2.412000 5.044000 
1 1 1   66   15    2 o   11.030   2.5640 1.035000 5.129000 
1 1 1   66   15    3 o   18.440   1.8470 -1.956000 3.695000 
1 1 1   66   15    4 o   13.640   2.0940 -10.83000 4.188000 
1 1 1   66   15    5 o   7.9820   2.3490 1.512000 4.698000 
1 1 1   66   15    6 o   10.130   2.3720 4.841000 4.745000 
1 1 1   66   15    7 o   7.2840   2.1730 -4.140000 4.345000 
1 1 1   66   15    8 o   8.2500   2.3830 -0.2571000E-01 4.766000 
1 1 1   66   15    9 f   15.970   1.9490 1.728000 3.897000 
1 1 1   66   15   10 o   25.110   1.2140 2.304000 2.429000 
1 1 1   66   15   11 o   7.8670   2.2610 2.425000 4.523000 
1 1 1   66   15   12 o   17.290   1.8110 -6.279000 3.622000 
1 1 1   66   15   13 o   9.0410   2.3760 -2.710000 4.752000 
1 1 1   66   15   14 o   11.420   2.1040 -8.413000 4.208000 
1 1 1   66   15   15 o   7.9820   2.2050 1.960000 4.410000 
1 1 1   66   15   16 o   8.1300   2.2350 -0.5018000 4.470000 
1 1 1   66   15   17 o   8.7940   2.0380 5.839000 4.075000 
1 1 1   66   15   18 o   7.0580   2.1010 0.9586000 4.202000 
1 1 1   66   16    0 o   23.990   2.0060 -0.000000 0.000000 
1 1 1   66   16    1 o   12.150   2.3480 -6.651000 4.695000 
1 1 1   66   16    2 o   13.550   2.3690 -5.544000 4.737000 
1 1 1   66   16    3 o   13.610   2.3560 -4.108000 4.711000 
1 1 1   66   16    4 o   9.6650   2.4090 4.112000 4.818000 
1 1 1   66   16    5 o   12.420   2.3350 2.389000 4.670000 
1 1 1   66   16    6 o   12.800   2.3040 2.997000 4.607000 
1 1 1   66   16    7 o   8.1900   2.3640 -1.110000 4.728000 
1 1 1   66   16    8 o   6.8100   2.1470 -0.6695000 4.294000 
1 1 1   66   16    9 o   10.190   2.2240 -7.166000 4.447000 
1 1 1   66   16   10 o   8.1010   2.3370 -0.4194000 4.674000 
1 1 1   66   16   11 o   9.8350   2.3030 -5.105000 4.606000 
1 1 1   66   16   12 o   8.2950   2.2900 -2.766000 4.579000 
1 1 1   66   16   13 o   7.6810   2.2410 -0.6722000 4.482000 
1 1 1   66   16   14 f   6.4920   2.0540 -0.9964000 4.108000 
1 1 1   66   16   15 o   7.3190   2.0910 3.282000 4.181000 
1 1 1   66   16   16 o   8.7000   2.0500 -6.904000 4.100000 
1 1 1   66   17    0 o   6.0020   2.7760 -0.000000 0.000000 
1 1 1   66   17    1 o   6.3820   2.0640 0.9437000 4.128000 
1 1 1   66   17    2 o   7.8660   2.2960 2.111000 4.592000 
1 1 1   66   17    3 o   12.170   2.4030 -2.564000 4.805000 
1 1 1   66   17    4 o   7.9010   2.2510 2.459000 4.501000 
1 1 1   66   17    5 o   11.110   2.2800 -7.062000 4.561000 
1 1 1   66   17    6 o   11.050   2.3570 3.241000 4.713000 
1 1 1   66   17    7 o   9.2060   2.2990 3.818000 4.597000 
1 1 1   66   17    8 o   9.4520   2.3310 3.218000 4.662000 
1 1 1   66   17    9 o   7.2030   2.1710 -2.751000 4.342000 
1 1 1   66   17   10 o   8.1710   2.3200 -1.892000 4.640000 
1 1 1   66   17   11 o   7.0810   2.1280 2.627000 4.255000 
1 1 1   66   17   12 o   12.440   2.3110 -1.877000 4.622000 
1 1 1   66   17   13 o   9.8580   2.3330 2.656000 4.666000 
1 1 1   66   17   14 o   10.250   2.4100 -0.7142000 4.820000 
1 1 1   66   18    0 o   12.350   3.1740 -0.000000 0.000000 
1 1 1   66   18    1 o   12.320   2.2310 2.673000 4.462000 
1 1 1   66   18    2 o   8.8060   2.2930 -2.533000 4.585000 
1 1 1   66   18    3 o   8.6800   2.1450 -5.240000 4.289000 
1 1 1   66   18    4 o   9.0580   2.3150 -1.832000 4.631000 
1 1 1   66   18    5 o   8.0040   2.1580 3.716000 4.316000 
1 1 1   66   18    6 o   8.7150   2.1920 -4.348000 4.383000 
1 1 1   66   18    7 o   7.7310   2.1330 -5.214000 4.267000 
1 1 1   66   18    8 o   8.8150   2.1740 -5.309000 4.347000 
1 1 1   66   18    9 o   6.8080   2.1190 -0.4729000 4.239000 
1 1 1   66   18   10 o   14.330   2.1210 -0.3273000 4.242000 
1 1 1   66   18   11 o   10.120   2.4220 -0.5800000 4.844000 
1 1 1   66   19    0 o   10.410   3.3820 -0.000000 0.000000 
1 1 1   66   19    1 o   6.3260   2.0260 -0.9317000 4.051000 
1 1 1   66   19    2 o   12.890   2.1750 -3.037000 4.350000 
1 1 1   66   19    3 o   7.4290   2.1750 2.163000 4.350000 
1 1 1   66   19    4 o   10.060   2.0070 7.568000 4.015000 
1 1 1   66   19    5 o   5.6950   1.8740 -1.792000 3.749000 
1 1 1   66   19    6 o   9.7770   2.2740 1.834000 4.548000 
1 1 1   66   19    7 o   7.6860   2.2100 -0.7300000 4.421000 
1 1 1   67    0    1 o   54.030   0.9962 -0.000000 0.000000 
1 1 1   67    0    2 o   37.310   0.9867 -0.000000 0.000000 
1 1 1   67    0    3 o   24.630   1.3250 -0.000000 0.000000 
1 1 1   67    0    4 o   11.420   2.5430 -0.000000 0.000000 
1 1 1   67    0    5 o   23.270   1.3320 -0.000000 0.000000 
1 1 1   67    0    6 o   16.140   1.8280 -0.000000 0.000000 
1 1 1   67    0    7 o   23.820   1.2610 -0.000000 0.000000 
1 1 1   67    0    8 o   16.550   1.8010 -0.000000 0.000000 
1 1 1   67    0    9 o   72.120   1.1790 -0.000000 0.000000 
1 1 1   67    0   10 o   24.130   1.3470 -0.000000 0.000000 
1 1 1   67    0   11 o   45.670   1.0020 -0.000000 0.000000 
1 1 1   67    0   12 o   19.760   1.6850 -0.000000 0.000000 
1 1 1   67    0   13 o   81.440   1.3040 -0.000000 0.000000 
1 1 1   67    0   14 o   30.710   1.2420 -0.000000 0.000000 
1 1 1   67    0   15 o   8.6060   3.1090 -0.000000 0.000000 
1 1 1   67    0   16 o   21.570   1.6630 -0.000000 0.000000 
1 1 1   67    0   17 o   11.680   2.9960 -0.000000 0.000000 
1 1 1   67    0   18 o   16.560   2.2970 -0.000000 0.000000 
1 1 1   67    0   19 o   7.9930   3.0910 -0.000000 0.000000 
1 1 1   67    0   20 o   9.7760   3.1600 -0.000000 0.000000 
1 1 1   67    0   21 o   15.780   2.2620 -0.000000 0.000000 
1 1 1   67    0   22 o   19.080   1.8500 -0.000000 0.000000 
1 1 1   67    0   23 o   10.410   3.1330 -0.000000 0.000000 
1 1 1   67    0   24 o   12.590   2.7240 -0.000000 0.000000 
1 1 1   67    0   25 o   11.900   2.7680 -0.000000 0.000000 
1 1 1   67    0   26 o   9.7090   2.9520 -0.000000 0.000000 
1 1 1   67    0   27 o   4.4680   2.1680 -0.000000 0.000000 
1 1 1   67    0   28 o   5.0930   2.3800 -0.000000 0.000000 
1 1 1   67    1    0 o   35.740   0.7797 -0.000000 0.000000 
1 1 1   67    1    1 o   65.140   0.6235 1.908000 1.247000 
1 1 1   67    1    2 o   84.990   0.7621 0.5104000 1.524000 
1 1 1   67    1    3 o   29.550   0.5963 0.2854000 1.193000 
1 1 1   67    1    4 o   61.670   0.6056 -4.924000 1.211000 
1 1 1   67    1    5 o   30.250   0.5951 0.3165000 1.190000 
1 1 1   67    1    6 o   17.460   1.2550 7.112000 2.510000 
1 1 1   67    1    7 o   30.230   0.6882 -0.5129000E-01 1.376000 
1 1 1   67    1    8 o   27.130   0.7575 2.174000 1.515000 
1 1 1   67    1    9 o   43.560   0.6281 -1.358000 1.256000 
1 1 1   67    1   10 o   40.540   0.6300 -0.7429000 1.260000 
1 1 1   67    1   11 o   11.370   1.6630 -6.249000 3.325000 
1 1 1   67    1   12 o   6.9390   1.8780 -3.756000 3.757000 
1 1 1   67    1   13 o   18.430   1.3040 2.694000 2.607000 
1 1 1   67    1   14 o   22.570   1.0950 1.883000 2.190000 
1 1 1   67    1   15 o   7.9110   2.1580 -0.5808000 4.317000 
1 1 1   67    1   16 o   11.660   2.0770 1.208000 4.154000 
1 1 1   67    1   17 o   9.6370   2.1930 -2.894000 4.387000 
1 1 1   67    1   18 o   19.700   1.3280 -0.7887000 2.657000 
1 1 1   67    1   19 o   21.890   1.2620 -3.429000 2.525000 
1 1 1   67    1   20 o   28.910   0.9566 1.792000 1.913000 
1 1 1   67    1   21 o   8.0050   2.0450 4.679000 4.089000 
1 1 1   67    1   22 o   9.1090   2.2100 -0.1160000 4.421000 
1 1 1   67    1   23 o   7.2470   2.0920 -0.5730000 4.183000 
1 1 1   67    1   24 o   11.060   2.0290 -3.117000 4.058000 
1 1 1   67    1   25 o   9.4770   2.1300 -2.501000 4.260000 
1 1 1   67    1   26 o   9.5000   2.0750 0.3680000 4.150000 
1 1 1   67    1   27 o   5.8170   1.8240 0.4380000 3.648000 
1 1 1   67    1   28 o   9.6960   2.0150 -3.547000 4.030000 
1 1 1   67    2    0 o   28.100   0.8650 -0.000000 0.000000 
1 1 1   67    2    1 o   59.400   0.5946 1.366000 1.189000 
1 1 1   67    2    2 o   20.340   0.7978 2.699000 1.596000 
1 1 1   67    2    3 o   23.820   0.6892 0.7536000 1.378000 
1 1 1   67    2    4 o   18.630   0.8517 -1.378000 1.703000 
1 1 1   67    2    5 o   21.750   0.7467 -4.569000 1.493000 
1 1 1   67    2    6 o   21.060   0.7700 0.6506000 1.540000 
1 1 1   67    2    7 o   44.060   0.5432 2.816000 1.086000 
1 1 1   67    2    8 o   53.220   0.5685 -2.969000 1.137000 
1 1 1   67    2    9 o   29.660   0.6228 -1.668000 1.246000 
1 1 1   67    2   10 o   9.2340   1.6370 4.514000 3.274000 
1 1 1   67    2   11 o   27.830   0.6614 -1.529000 1.323000 
1 1 1   67    2   12 o   14.760   1.2000 -2.140000 2.401000 
1 1 1   67    2   13 o   44.940   0.5766 0.2481000 1.153000 
1 1 1   67    2   14 o   23.690   0.8126 -1.538000 1.625000 
1 1 1   67    2   15 o   11.400   1.6900 -3.239000 3.380000 
1 1 1   67    2   16 o   13.320   1.4830 -1.882000 2.967000 
1 1 1   67    2   17 o   23.580   0.9774 0.6372000 1.955000 
1 1 1   67    2   18 o   27.390   0.8681 -0.3561000 1.736000 
1 1 1   67    2   19 o   45.970   0.6991 2.936000 1.398000 
1 1 1   67    2   20 o   24.010   0.9865 -0.8335000E-01 1.973000 
1 1 1   67    2   21 o   7.5830   2.0460 0.6301000E-01 4.092000 
1 1 1   67    2   22 o   14.120   1.6390 1.427000 3.278000 
1 1 1   67    2   23 o   16.290   1.4090 2.519000 2.818000 
1 1 1   67    2   24 o   17.750   1.4430 -3.857000 2.886000 
1 1 1   67    2   25 f   11.120   2.0750 0.1062000 4.151000 
1 1 1   67    2   26 o   11.920   1.8860 -3.366000 3.773000 
1 1 1   67    2   27 o   6.8810   1.8640 4.570000 3.729000 
1 1 1   67    3    0 o   37.480   0.9274 -0.000000 0.000000 
1 1 1   67    3    1 o   20.820   0.9346 -0.3644000 1.869000 
1 1 1   67    3    2 o   50.290   0.6752 -1.117000 1.350000 
1 1 1   67    3    3 o   35.170   0.6766 -1.516000 1.353000 
1 1 1   67    3    4 o   28.400   0.7349 -1.646000 1.470000 
1 1 1   67    3    5 o   36.510   0.6644 0.3647000 1.329000 
1 1 1   67    3    6 o   20.050   0.9568 -1.369000 1.914000 
1 1 1   67    3    7 o   29.250   0.7358 -0.4855000 1.472000 
1 1 1   67    3    8 o   27.770   0.7686 -0.2373000 1.537000 
1 1 1   67    3    9 o   14.220   1.4150 1.633000 2.830000 
1 1 1   67    3   10 o   33.320   0.6615 3.241000 1.323000 
1 1 1   67    3   11 o   16.150   1.1780 -0.9781000E-01 2.356000 
1 1 1   67    3   12 o   11.320   1.7090 1.872000 3.418000 
1 1 1   67    3   13 o   34.950   0.6682 -1.657000 1.336000 
1 1 1   67    3   14 o   39.660   0.6732 1.978000 1.346000 
1 1 1   67    3   15 o   7.3560   1.9390 -3.771000 3.879000 
1 1 1   67    3   16 o   55.920   0.6848 -0.1913000E-01 1.370000 
1 1 1   67    3   17 o   27.710   0.7582 -0.6469000 1.516000 
1 1 1   67    3   18 o   25.180   0.8446 2.404000 1.689000 
1 1 1   67    3   19 o   9.0370   2.0150 1.159000 4.030000 
1 1 1   67    3   20 o   6.8570   1.9260 1.327000 3.852000 
1 1 1   67    3   21 o   11.910   1.7930 1.363000 3.587000 
1 1 1   67    3   22 o   16.430   1.2560 -3.089000 2.512000 
1 1 1   67    3   23 o   6.5950   1.8280 2.198000 3.656000 
1 1 1   67    3   24 f   10.260   1.9820 -2.547000 3.964000 
1 1 1   67    3   25 o   6.1820   1.8630 -0.3508000 3.725000 
1 1 1   67    3   26 o   16.930   1.2660 2.809000 2.531000 
1 1 1   67    3   27 o   9.7580   1.8330 2.808000 3.665000 
1 1 1   67    4    0 o   22.940   1.2300 -0.000000 0.000000 
1 1 1   67    4    1 o   42.090   0.6571 -2.385000 1.314000 
1 1 1   67    4    2 o   58.640   0.7203 0.5851000 1.441000 
1 1 1   67    4    3 o   29.200   0.7523 2.677000 1.505000 
1 1 1   67    4    4 o   31.980   0.6997 2.060000 1.399000 
1 1 1   67    4    5 o   14.810   1.3440 0.6181000 2.688000 
1 1 1   67    4    6 o   65.660   0.7727 1.851000 1.545000 
1 1 1   67    4    7 o   8.8510   1.9890 0.3224000 3.977000 
1 1 1   67    4    8 o   21.950   0.9386 0.1255000 1.877000 
1 1 1   67    4    9 o   7.9970   1.8730 -3.510000 3.745000 
1 1 1   67    4   10 o   7.5050   1.9830 1.050000 3.966000 
1 1 1   67    4   11 o   19.730   1.0720 -0.1953000 2.144000 
1 1 1   67    4   12 o   12.750   1.7090 1.935000 3.419000 
1 1 1   67    4   13 o   40.760   0.7218 5.822000 1.444000 
1 1 1   67    4   14 o   17.820   1.2740 3.385000 2.548000 
1 1 1   67    4   15 o   16.020   1.4640 -1.243000 2.928000 
1 1 1   67    4   16 o   7.9340   2.1420 -0.1590000 4.284000 
1 1 1   67    4   17 o   16.980   1.4450 -0.4181000E-01 2.890000 
1 1 1   67    4   18 o   22.940   1.0860 2.458000 2.171000 
1 1 1   67    4   19 o   19.050   1.1820 -2.011000 2.364000 
1 1 1   67    4   20 o   22.890   1.0430 0.8791000E-01 2.085000 
1 1 1   67    4   21 o   21.220   1.0980 -3.645000 2.196000 
1 1 1   67    4   22 o   18.200   1.2970 1.271000 2.594000 
1 1 1   67    4   23 o   12.900   1.7390 -7.076000 3.479000 
1 1 1   67    4   24 o   9.3770   1.8770 4.316000 3.755000 
1 1 1   67    4   25 o   14.860   1.4640 -2.754000 2.929000 
1 1 1   67    4   26 o   7.9900   1.7740 -5.078000 3.548000 
1 1 1   67    4   27 o   8.8270   1.8640 -0.7329000 3.728000 
1 1 1   67    5    0 o   39.330   0.9492 -0.000000 0.000000 
1 1 1   67    5    1 f   31.540   0.7193 1.332000 1.439000 
1 1 1   67    5    2 o   6.9790   1.7780 -4.481000 3.556000 
1 1 1   67    5    3 o   25.440   0.8218 -0.8615000 1.644000 
1 1 1   67    5    4 o   35.990   0.6986 -1.283000 1.397000 
1 1 1   67    5    5 o   13.850   1.4780 0.6506000 2.955000 
1 1 1   67    5    6 o   57.840   0.7206 2.077000 1.441000 
1 1 1   67    5    7 f   62.790   0.7603 1.452000 1.521000 
1 1 1   67    5    8 o   9.7660   1.9210 3.784000 3.842000 
1 1 1   67    5    9 o   19.970   1.0610 2.996000 2.121000 
1 1 1   67    5   10 o   7.4570   1.9470 2.637000 3.894000 
1 1 1   67    5   11 o   30.740   0.7820 -0.8365000 1.564000 
1 1 1   67    5   12 o   21.210   1.0920 3.938000 2.184000 
1 1 1   67    5   13 o   44.080   0.7139 3.435000 1.428000 
1 1 1   67    5   14 o   5.7500   1.8230 1.255000 3.645000 
1 1 1   67    5   15 o   7.3690   2.0740 -0.8354000 4.149000 
1 1 1   67    5   16 o   32.480   0.8473 0.1213000 1.695000 
1 1 1   67    5   17 o   34.730   0.8256 -0.5880000 1.651000 
1 1 1   67    5   18 o   6.2680   1.9630 -0.3592000 3.925000 
1 1 1   67    5   19 o   27.330   0.9649 1.630000 1.930000 
1 1 1   67    5   20 o   7.6940   2.1600 1.529000 4.321000 
1 1 1   67    5   21 o   17.580   1.4890 1.497000 2.978000 
1 1 1   67    5   22 o   13.510   1.9320 1.149000 3.865000 
1 1 1   67    5   23 o   15.030   1.7300 -3.841000 3.459000 
1 1 1   67    5   24 o   8.5680   2.1420 1.685000 4.283000 
1 1 1   67    5   25 o   6.0610   1.8690 -0.6018000 3.739000 
1 1 1   67    5   26 o   7.9950   1.9980 -3.712000 3.995000 
1 1 1   67    5   27 o   10.940   1.8830 0.7364000E-01 3.766000 
1 1 1   67    6    0 o   27.200   1.1630 -0.000000 0.000000 
1 1 1   67    6    1 o   44.120   0.6830 1.737000 1.366000 
1 1 1   67    6    2 o   7.5610   1.8430 4.414000 3.685000 
1 1 1   67    6    3 o   36.260   0.7142 -4.773000 1.428000 
1 1 1   67    6    4 f   20.920   0.9981 3.296000 1.996000 
1 1 1   67    6    5 o   12.430   1.7120 -0.5119000E-01 3.424000 
1 1 1   67    6    6 o   34.980   0.7144 0.6572000 1.429000 
1 1 1   67    6    7 o   30.260   0.7880 0.3049000 1.576000 
1 1 1   67    6    8 o   27.780   0.8434 1.094000 1.687000 
1 1 1   67    6    9 o   12.550   1.7400 -0.4410000 3.479000 
1 1 1   67    6   10 o   80.770   0.9103 -3.022000 1.821000 
1 1 1   67    6   11 o   10.790   1.8520 5.213000 3.703000 
1 1 1   67    6   12 o   19.400   1.2480 3.902000 2.496000 
1 1 1   67    6   13 o   28.230   0.9033 -1.215000 1.807000 
1 1 1   67    6   14 o   31.400   0.8530 0.5208000 1.706000 
1 1 1   67    6   15 o   18.500   1.3730 1.063000 2.745000 
1 1 1   67    6   16 o   29.790   0.9105 -3.273000 1.821000 
1 1 1   67    6   17 f   33.240   0.8767 2.605000 1.753000 
1 1 1   67    6   18 o   21.970   1.2120 2.826000 2.423000 
1 1 1   67    6   19 o   10.820   2.2130 2.195000 4.426000 
1 1 1   67    6   20 o   9.7900   2.2440 -2.031000 4.488000 
1 1 1   67    6   21 o   8.9290   2.2030 -3.449000 4.406000 
1 1 1   67    6   22 o   7.7770   2.1140 -3.837000 4.229000 
1 1 1   67    6   23 o   9.6220   2.1420 3.310000 4.284000 
1 1 1   67    6   24 o   9.5580   1.8420 7.682000 3.685000 
1 1 1   67    6   25 o   8.1110   2.0660 -4.593000 4.131000 
1 1 1   67    6   26 o   9.8300   2.0480 -5.221000 4.096000 
1 1 1   67    7    0 o   21.550   1.4360 -0.000000 0.000000 
1 1 1   67    7    1 o   4.9690   1.6400 0.8131000 3.281000 
1 1 1   67    7    2 o   34.480   0.7478 1.405000 1.496000 
1 1 1   67    7    3 o   21.940   1.0280 3.169000 2.055000 
1 1 1   67    7    4 o   19.550   1.1120 2.312000 2.224000 
1 1 1   67    7    5 o   5.9840   1.8420 0.1523000 3.683000 
1 1 1   67    7    6 o   17.940   1.2070 1.093000 2.415000 
1 1 1   67    7    7 o   20.760   1.1030 -0.6684000 2.206000 
1 1 1   67    7    8 o   32.620   0.7839 0.5109000 1.568000 
1 1 1   67    7    9 o   29.620   0.8295 -0.5173000 1.659000 
1 1 1   67    7   10 o   15.920   1.4580 0.1111000 2.915000 
1 1 1   67    7   11 o   11.690   1.7040 10.09000 3.408000 
1 1 1   67    7   12 o   21.340   1.1620 1.860000 2.325000 
1 1 1   67    7   13 o   28.210   0.9298 0.2579000 1.860000 
1 1 1   67    7   14 o   24.960   1.0380 -3.424000 2.077000 
1 1 1   67    7   15 o   22.560   1.1480 2.011000 2.296000 
1 1 1   67    7   16 o   40.410   0.8067 -1.639000 1.613000 
1 1 1   67    7   17 o   33.380   0.9001 3.666000 1.800000 
1 1 1   67    7   18 o   23.010   1.1940 -2.580000 2.387000 
1 1 1   67    7   19 o   10.590   2.2910 -1.058000 4.582000 
1 1 1   67    7   20 o   23.610   1.1540 -1.735000 2.308000 
1 1 1   67    7   21 o   8.8900   2.2600 -0.1305000 4.520000 
1 1 1   67    7   22 o   10.070   2.1910 2.560000 4.381000 
1 1 1   67    7   23 o   10.300   1.9740 6.739000 3.947000 
1 1 1   67    7   24 o   9.8910   2.1900 -2.019000 4.380000 
1 1 1   67    7   25 o   8.9850   2.2300 -0.1768000 4.461000 
1 1 1   67    7   26 o   13.530   1.8840 1.057000 3.767000 
1 1 1   67    8    0 o   25.390   1.2720 -0.000000 0.000000 
1 1 1   67    8    1 o   20.090   1.1440 1.729000 2.288000 
1 1 1   67    8    2 o   44.320   0.7163 0.2948000 1.433000 
1 1 1   67    8    3 o   15.540   1.4620 -2.411000 2.924000 
1 1 1   67    8    4 o   46.350   0.7188 -1.541000 1.438000 
1 1 1   67    8    5 o   26.400   0.9041 -0.1624000 1.808000 
1 1 1   67    8    6 o   32.910   0.8004 0.7248000 1.601000 
1 1 1   67    8    7 o   26.350   0.9274 -1.306000 1.855000 
1 1 1   67    8    8 o   36.920   0.7647 -1.530000 1.529000 
1 1 1   67    8    9 o   26.510   0.9375 0.5773000 1.875000 
1 1 1   67    8   10 f   24.230   1.0790 -4.166000 2.157000 
1 1 1   67    8   11 o   13.490   1.9090 -3.027000 3.818000 
1 1 1   67    8   12 o   22.010   1.1450 -0.8493000 2.290000 
1 1 1   67    8   13 o   12.750   2.0320 3.277000 4.064000 
1 1 1   67    8   14 o   20.770   1.2630 -0.8495000 2.526000 
1 1 1   67    8   15 o   13.180   2.0490 1.205000 4.097000 
1 1 1   67    8   16 o   20.770   1.3630 -3.302000 2.726000 
1 1 1   67    8   17 o   15.970   1.8800 3.168000 3.761000 
1 1 1   67    8   18 o   13.670   2.0760 -0.7116000 4.151000 
1 1 1   67    8   19 o   8.5530   2.1530 -4.808000 4.305000 
1 1 1   67    8   20 o   18.700   1.5190 2.396000 3.038000 
1 1 1   67    8   21 o   17.920   1.5370 -0.7618000 3.075000 
1 1 1   67    8   22 o   11.310   2.1280 -5.929000 4.257000 
1 1 1   67    8   23 o   7.0210   2.1110 -0.4208000 4.222000 
1 1 1   67    8   24 o   12.070   2.1310 3.703000 4.263000 
1 1 1   67    8   25 o   7.2020   2.0860 2.455000 4.171000 
1 1 1   67    9    0 o   62.470   1.1110 -0.000000 0.000000 
1 1 1   67    9    1 o   37.010   0.7937 -2.200000 1.587000 
1 1 1   67    9    2 o   25.180   0.9595 2.659000 1.919000 
1 1 1   67    9    3 o   7.0520   1.9740 -2.994000 3.948000 
1 1 1   67    9    4 o   22.230   1.0850 1.447000 2.170000 
1 1 1   67    9    5 o   12.320   1.9180 -3.210000 3.836000 
1 1 1   67    9    6 o   12.710   1.8770 -0.8294000 3.754000 
1 1 1   67    9    7 o   26.470   0.9811 -0.1415000 1.962000 
1 1 1   67    9    8 o   16.860   1.4870 6.155000 2.975000 
1 1 1   67    9    9 o   26.830   0.9872 -1.425000 1.974000 
1 1 1   67    9   10 o   31.120   0.9062 -1.631000 1.812000 
1 1 1   67    9   11 o   31.790   0.8945 -0.3255000 1.789000 
1 1 1   67    9   12 o   8.1150   2.1590 -3.295000 4.319000 
1 1 1   67    9   13 o   6.3400   2.0060 1.010000 4.012000 
1 1 1   67    9   14 f   24.930   1.1330 -0.9232000E-01 2.266000 
1 1 1   67    9   15 o   23.330   1.2600 -1.897000 2.520000 
1 1 1   67    9   16 o   10.130   2.3100 3.697000 4.620000 
1 1 1   67    9   17 o   20.320   1.4410 3.446000 2.882000 
1 1 1   67    9   18 o   12.270   2.1940 -0.9321000 4.387000 
1 1 1   67    9   19 o   16.200   1.8120 3.829000 3.624000 
1 1 1   67    9   20 o   12.470   2.1860 0.3762000 4.372000 
1 1 1   67    9   21 o   6.7920   2.0870 -2.150000 4.173000 
1 1 1   67    9   22 o   11.870   2.2050 2.074000 4.410000 
1 1 1   67    9   23 o   11.110   2.2120 -0.1801000 4.425000 
1 1 1   67    9   24 o   5.9400   1.8920 -2.920000 3.784000 
1 1 1   67   10    0 o   33.700   1.1560 -0.000000 0.000000 
1 1 1   67   10    1 o   27.420   0.9351 2.558000 1.870000 
1 1 1   67   10    2 o   10.030   2.1410 4.161000 4.281000 
1 1 1   67   10    3 o   6.9160   2.0140 3.212000 4.029000 
1 1 1   67   10    4 f   13.660   1.8750 4.979000 3.751000 
1 1 1   67   10    5 o   18.090   1.4050 0.7754000 2.810000 
1 1 1   67   10    6 o   14.440   1.7920 2.929000 3.583000 
1 1 1   67   10    7 o   11.800   2.0680 -3.979000 4.137000 
1 1 1   67   10    8 o   9.3060   2.2710 -1.441000 4.542000 
1 1 1   67   10    9 o   24.320   1.1050 1.090000 2.210000 
1 1 1   67   10   10 o   14.730   1.8890 0.3807000 3.778000 
1 1 1   67   10   11 o   25.540   1.1170 2.114000 2.233000 
1 1 1   67   10   12 o   22.460   1.3070 4.093000 2.614000 
1 1 1   67   10   13 o   16.700   1.6850 -1.560000 3.370000 
1 1 1   67   10   14 o   21.500   1.3550 -2.463000 2.709000 
1 1 1   67   10   15 o   18.540   1.6390 -2.228000 3.279000 
1 1 1   67   10   16 o   12.570   2.2470 -0.3160000 4.494000 
1 1 1   67   10   17 o   11.600   2.2920 2.680000 4.584000 
1 1 1   67   10   18 o   10.740   2.0890 7.227000 4.179000 
1 1 1   67   10   19 o   11.400   2.3170 -0.9112000 4.634000 
1 1 1   67   10   20 o   10.060   2.3010 3.131000 4.601000 
1 1 1   67   10   21 o   10.710   2.1210 6.441000 4.241000 
1 1 1   67   10   22 o   10.420   2.0520 -6.577000 4.103000 
1 1 1   67   10   23 o   15.040   1.6880 -2.971000 3.377000 
1 1 1   67   10   24 o   9.2420   2.1920 1.804000 4.384000 
1 1 1   67   11    0 o   14.330   2.7020 -0.000000 0.000000 
1 1 1   67   11    1 o   18.720   1.4910 0.6756000 2.982000 
1 1 1   67   11    2 o   14.880   2.6820      ?      ? 
1 1 1   67   11    3 o   17.500   1.5640 1.468000 3.129000 
1 1 1   67   11    4 o   13.860   2.0060 5.614000 4.013000 
1 1 1   67   11    5 o   24.440   1.1610 -0.1391000E-01 2.322000 
1 1 1   67   11    6 o   22.480   1.2410 -3.772000 2.482000 
1 1 1   67   11    7 o   12.750   2.0920 5.625000 4.185000 
1 1 1   67   11    8 o   11.010   2.2410 -4.165000 4.482000 
1 1 1   67   11    9 o   7.7050   2.2210 -0.7290000 4.442000 
1 1 1   67   11   10 o   8.8230   2.3740 1.307000 4.747000 
1 1 1   67   11   12 o   8.4610   2.2670 3.850000 4.534000 
1 1 1   67   11   13 f   24.420   1.2770 -1.815000 2.555000 
1 1 1   67   11   14 o   9.6240   2.4690 -0.7018000 4.939000 
1 1 1   67   11   15 o   13.530   2.2940 2.407000 4.587000 
1 1 1   67   11   16 o   19.470   1.5740 -1.403000 3.147000 
1 1 1   67   11   17 o   14.270   2.1250 -3.787000 4.251000 
1 1 1   67   11   18 o   15.180   1.9580 1.489000 3.915000 
1 1 1   67   11   19 o   7.2130   2.1490 -2.297000 4.299000 
1 1 1   67   11   20 o   7.5680   2.0770 -4.556000 4.154000 
1 1 1   67   11   21 o   8.2740   2.0830 -4.493000 4.166000 
1 1 1   67   11   22 o   10.030   1.9400 6.972000 3.879000 
1 1 1   67   11   23 o   6.7040   2.0240 -2.825000 4.048000 
1 1 1   67   12    0 o   10.880   3.3440 -0.000000 0.000000 
1 1 1   67   12    1 o   9.1080   2.3480 -2.730000 4.696000 
1 1 1   67   12    2 o   10.040   2.3530 2.987000 4.705000 
1 1 1   67   12    3 o   29.050   1.0530 0.6182000 2.106000 
1 1 1   67   12    4 o   8.9330   2.3650 1.222000 4.731000 
1 1 1   67   12    5 o   34.290   0.9466 -0.4133000 1.893000 
1 1 1   67   12    6 o   24.970   1.2190 -5.016000 2.438000 
1 1 1   67   12    7 o   16.160   1.9120 -0.2965000 3.824000 
1 1 1   67   12    8 o   20.430   1.4670 0.4871000 2.933000 
1 1 1   67   12    9 o   10.910   2.2850 5.921000 4.571000 
1 1 1   67   12   10 o   12.320   2.3620 0.2905000 4.724000 
1 1 1   67   12   11 o   6.3680   2.0670 0.2082000 4.135000 
1 1 1   67   12   12 o   16.230   1.9220 2.813000 3.843000 
1 1 1   67   12   13 o   22.660   1.4080 -4.343000 2.816000 
1 1 1   67   12   14 o   13.580   2.2110 4.446000 4.423000 
1 1 1   67   12   15 o   22.320   1.4300 0.8876000 2.861000 
1 1 1   67   12   16 o   18.970   1.6980 3.386000 3.396000 
1 1 1   67   12   17 o   7.0280   2.1720 1.253000 4.344000 
1 1 1   67   12   18 o   6.5390   1.9670 3.623000 3.934000 
1 1 1   67   12   19 o   7.7710   2.1890 -1.855000 4.378000 
1 1 1   67   12   20 o   9.4840   2.1380 3.987000 4.277000 
1 1 1   67   12   21 o   11.320   2.0690 -5.171000 4.139000 
1 1 1   67   12   22 o   8.0480   2.1000 3.904000 4.199000 
1 1 1   67   13    0 o   7.4420   3.2110 -0.000000 0.000000 
1 1 1   67   13    1 o   22.770   1.4030 -3.410000 2.807000 
1 1 1   67   13    2 o   35.110   0.9798 -0.7287000 1.960000 
1 1 1   67   13    3 o   15.510   2.0410 -2.496000 4.082000 
1 1 1   67   13    4 o   25.310   1.2590 2.175000 2.518000 
1 1 1   67   13    5 o   21.130   1.5030 -3.182000 3.006000 
1 1 1   67   13    6 o   12.870   2.3100 -0.2781000 4.620000 
1 1 1   67   13    7 o   14.270   2.1720 -6.200000 4.345000 
1 1 1   67   13    8 o   21.270   1.5040 -1.699000 3.009000 
1 1 1   67   13    9 o   22.640   1.4100 -0.5069000 2.820000 
1 1 1   67   13   10 o   8.3290   3.3100      ?      ? 
1 1 1   67   13   11 o   8.7780   2.4110 -2.021000 4.822000 
1 1 1   67   13   12 o   18.490   1.7510 1.389000 3.501000 
1 1 1   67   13   13 o   13.600   2.3090 -2.797000 4.618000 
1 1 1   67   13   14 o   9.0290   2.2080 -5.914000 4.416000 
1 1 1   67   13   15 o   10.530   2.4340 -1.354000 4.867000 
1 1 1   67   13   16 o   7.9600   2.1390 4.175000 4.277000 
1 1 1   67   13   17 o   5.7400   2.6770      ?      ? 
1 1 1   67   13   18 o   6.7110   2.0650 -0.3661000 4.130000 
1 1 1   67   13   19 o   8.3060   2.2000 -2.815000 4.399000 
1 1 1   67   13   20 o   10.720   3.0960      ?      ? 
1 1 1   67   13   21 o   10.900   4.3100      ?      ? 
1 1 1   67   14    0 o   11.750   3.5410 -0.000000 0.000000 
1 1 1   67   14    1 o   16.860   2.7970      ?      ? 
1 1 1   67   14    2 o   11.350   2.5090 -1.872000 5.019000 
1 1 1   67   14    3 o   18.570   1.7860 1.080000 3.572000 
1 1 1   67   14    4 o   8.0350   2.3530 1.390000 4.705000 
1 1 1   67   14    5 o   25.090   1.3520 0.5521000E-01 2.704000 
1 1 1   67   14    6 o   13.930   2.1610 8.762000 4.322000 
1 1 1   67   14    7 o   13.440   2.3790 2.858000 4.759000 
1 1 1   67   14    8 o   13.590   2.1960 8.677000 4.392000 
1 1 1   67   14    9 o   11.850   2.3520 5.651000 4.704000 
1 1 1   67   14   10 o   11.280   2.3900 5.618000 4.780000 
1 1 1   67   14   11 o   6.1950   2.8770      ?      ? 
1 1 1   67   14   12 o   8.6720   2.4530 0.1184000 4.907000 
1 1 1   67   14   13 o   6.9770   2.1640 -0.1569000 4.327000 
1 1 1   67   14   14 o   9.8100   2.1470 -6.852000 4.295000 
1 1 1   67   14   15 o   7.9390   2.2820 -1.408000 4.565000 
1 1 1   67   14   16 o   12.530   2.2140 -1.471000 4.428000 
1 1 1   67   14   17 o   14.330   1.9310 -0.8852000E-01 3.863000 
1 1 1   67   14   18 o   12.500   2.1210 0.9514000 4.242000 
1 1 1   67   14   19 o   8.7970   2.1820 2.566000 4.364000 
1 1 1   67   15    0 o   6.4070   2.9590 -0.000000 0.000000 
1 1 1   67   15    1 o   12.880   2.3920 -3.181000 4.784000 
1 1 1   67   15    2 o   12.920   2.3390 -6.060000 4.677000 
1 1 1   67   15    3 o   6.8120   2.1700 1.670000 4.339000 
1 1 1   67   15    4 o   12.400   2.3650 -5.011000 4.729000 
1 1 1   67   15    5 o   10.440   2.4930 -0.8927000 4.985000 
1 1 1   67   15    6 o   10.670   2.4130 4.733000 4.826000 
1 1 1   67   15    7 o   22.520   1.4760 3.708000 2.952000 
1 1 1   67   15    8 o   10.660   2.3900 -4.191000 4.780000 
1 1 1   67   15    9 o   9.6450   2.4100 -1.620000 4.820000 
1 1 1   67   15   10 o   10.380   2.3640 3.020000 4.728000 
1 1 1   67   15   11 o   8.2500   2.3450 -0.7511000 4.691000 
1 1 1   67   15   12 o   13.360   2.2130 -0.3128000 4.426000 
1 1 1   67   15   13 o   7.8590   2.2880 -1.014000 4.576000 
1 1 1   67   15   14 o   8.4630   2.3340 0.3734000 4.667000 
1 1 1   67   15   15 o   6.3050   2.0140 -0.1528000 4.028000 
1 1 1   67   15   16 o   6.2150   1.9930 0.3218000 3.985000 
1 1 1   67   15   17 o   9.2840   2.2770 -1.328000 4.555000 
1 1 1   67   15   18 o   12.940   4.5770      ?      ? 
1 1 1   67   16    0 o   7.2720   3.1810 -0.000000 0.000000 
1 1 1   67   16    1 o   9.3780   2.4780 0.1866000E-01 4.957000 
1 1 1   67   16    2 o   9.2630   2.5110 1.320000 5.022000 
1 1 1   67   16    3 o   8.4100   2.3180 -4.372000 4.637000 
1 1 1   67   16    4 f   15.270   2.2050 -3.165000 4.409000 
1 1 1   67   16    5 o   9.7870   2.3110 4.144000 4.622000 
1 1 1   67   16    6 o   6.2140   2.0450 -1.593000 4.091000 
1 1 1   67   16    7 o   10.080   2.4210 -2.957000 4.842000 
1 1 1   67   16    8 o   9.7180   2.4280 -0.9507000 4.855000 
1 1 1   67   16    9 o   16.800   1.8820 1.096000 3.763000 
1 1 1   67   16   10 o   9.7230   2.3610 -3.823000 4.722000 
1 1 1   67   16   11 o   9.8500   2.4300 -2.203000 4.860000 
1 1 1   67   16   12 o   7.2960   2.1530 2.470000 4.306000 
1 1 1   67   16   13 o   8.4810   2.2310 -4.371000 4.462000 
1 1 1   67   16   14 o   7.5660   2.1760 2.076000 4.352000 
1 1 1   67   16   15 o   13.820   2.0310 -0.9264000 4.063000 
1 1 1   67   16   16 o   11.150   2.9840 5.628000 5.968000 
1 1 1   67   17    0 o   8.2500   3.4180 -0.000000 0.000000 
1 1 1   67   17    1 o   17.950   1.7800 0.9974000 3.561000 
1 1 1   67   17    2 o   6.9330   2.1550 1.559000 4.309000 
1 1 1   67   17    3 o   8.8650   2.4090 0.8856000 4.818000 
1 1 1   67   17    4 o   6.2450   2.0410 -0.3441000 4.083000 
1 1 1   67   17    5 o   7.6560   2.2430 -3.044000 4.487000 
1 1 1   67   17    6 o   8.4520   2.2010 -6.235000 4.401000 
1 1 1   67   17    7 o   8.9760   2.3950 0.5003000 4.790000 
1 1 1   67   17    8 o   9.6620   2.3910 -1.107000 4.782000 
1 1 1   67   17    9 o   14.240   2.0360 9.175000 4.072000 
1 1 1   67   17   10 o   9.5040   2.4110 -1.243000 4.823000 
1 1 1   67   17   11 o   8.5700   2.2930 2.693000 4.585000 
1 1 1   67   17   12 o   7.7770   2.2740 0.9829000 4.549000 
1 1 1   67   17   13 o   5.9130   1.9460 -0.8875000 3.893000 
1 1 1   67   18    0 o   12.810   3.0760 -0.000000 0.000000 
1 1 1   67   18    1 o   7.4280   2.2040 0.7296000 4.408000 
1 1 1   67   18    2 o   14.190   2.0090 -7.481000 4.019000 
1 1 1   67   18    3 o   5.3880   1.8170 0.1231000 3.634000 
1 1 1   67   18    4 o   6.0720   1.9440 2.146000 3.888000 
1 1 1   67   18    5 o   9.9780   2.2620 -3.763000 4.524000 
1 1 1   67   18    6 o   14.930   1.9830 -5.827000 3.966000 
1 1 1   67   18    7 o   7.9470   2.2480 -2.841000 4.496000 
1 1 1   67   18    8 o   10.870   2.2200 -5.113000 4.440000 
1 1 1   67   18    9 o   9.4090   2.2900 -4.653000 4.580000 
1 1 1   67   18   10 o   6.6320   2.1030 -1.012000 4.207000 
1 1 1   67   19    0 o   12.060   3.2020 -0.000000 0.000000 
1 1 1   67   19    1 o   9.2350   2.0740 6.679000 4.147000 
1 1 1   67   19    2 o   6.1280   1.9880 0.3979000E-01 3.977000 
1 1 1   67   19    3 o   13.570   2.0660 2.079000 4.133000 
1 1 1   67   19    4 o   8.8380   2.2940 -0.5668000 4.587000 
1 1 1   67   19    5 o   14.010   1.9610 -8.138000 3.923000 
1 1 1   67   19    6 o   7.2840   2.1660 -1.832000 4.332000 
1 1 1   68    0    0 o   6.8750   3.0510 -0.000000 0.000000 
1 1 1   68    0    1 o   20.100   1.5640 -0.000000 0.000000 
1 1 1   68    0    2 o   14.180   2.1330 -0.000000 0.000000 
1 1 1   68    0    3 o   69.810   1.1460 -0.000000 0.000000 
1 1 1   68    0    4 o   86.500   1.3510 -0.000000 0.000000 
1 1 1   68    0    5 o   35.100   1.0320 -0.000000 0.000000 
1 1 1   68    0    6 o   9.6540   2.9220 -0.000000 0.000000 
1 1 1   68    0    7 f   33.860   1.0790 -0.000000 0.000000 
1 1 1   68    0    8 o   6.2750   2.6780 -0.000000 0.000000 
1 1 1   68    0    9 o   8.5610   3.0280 -0.000000 0.000000 
1 1 1   68    0   10 o   9.1850   3.0050 -0.000000 0.000000 
1 1 1   68    0   11 o   28.490   1.2370 -0.000000 0.000000 
1 1 1   68    0   12 o   44.070   1.0270 -0.000000 0.000000 
1 1 1   68    0   13 o   53.130   1.0670 -0.000000 0.000000 
1 1 1   68    0   14 o   9.6640   3.1580 -0.000000 0.000000 
1 1 1   68    0   15 o   6.1520   2.7560 -0.000000 0.000000 
1 1 1   68    0   16 o   7.0790   2.9860 -0.000000 0.000000 
1 1 1   68    0   17 o   10.950   3.1860 -0.000000 0.000000 
1 1 1   68    0   18 o   13.450   2.7930 -0.000000 0.000000 
1 1 1   68    0   19 o   55.720   1.1050 -0.000000 0.000000 
1 1 1   68    0   20 o   7.5030   3.0430 -0.000000 0.000000 
1 1 1   68    0   21 o   10.680   3.0980 -0.000000 0.000000 
1 1 1   68    0   22 o   11.040   3.0970 -0.000000 0.000000 
1 1 1   68    0   23 o   15.240   2.3970 -0.000000 0.000000 
1 1 1   68    0   24 o   16.690   2.0330 -0.000000 0.000000 
1 1 1   68    0   25 o   6.6310   2.8520 -0.000000 0.000000 
1 1 1   68    0   26 o   8.5020   2.9940 -0.000000 0.000000 
1 1 1   68    0   27 o   5.2650   2.4430 -0.000000 0.000000 
1 1 1   68    1    0 o   60.460   0.8540 -0.000000 0.000000 
1 1 1   68    1    1 o   13.040   1.2730 2.970000 2.545000 
1 1 1   68    1    2 o   45.630   0.5432 1.078000 1.086000 
1 1 1   68    1    3 f   53.560   0.5702 1.758000 1.140000 
1 1 1   68    1    4 o   20.010   0.8079 -1.994000 1.616000 
1 1 1   68    1    5 o   25.910   0.6554 0.1621000 1.311000 
1 1 1   68    1    6 o   34.660   0.6647 -0.5614000 1.329000 
1 1 1   68    1    7 o   26.470   0.7597 1.278000 1.519000 
1 1 1   68    1    8 o   57.530   0.6687 -4.739000 1.337000 
1 1 1   68    1    9 o   41.210   0.6404 -1.487000 1.281000 
1 1 1   68    1   10 o   6.0300   1.7860 0.4786000 3.571000 
1 1 1   68    1   11 o   32.350   0.6977 -0.2044000E-01 1.395000 
1 1 1   68    1   12 o   48.970   0.7371 -2.407000 1.474000 
1 1 1   68    1   13 o   43.490   0.7414 0.7105000 1.483000 
1 1 1   68    1   14 f   61.720   0.7863 1.357000 1.573000 
1 1 1   68    1   15 o   13.190   1.9530 -0.3195000E-01 3.906000 
1 1 1   68    1   16 o   8.9830   2.1990 -2.244000 4.397000 
1 1 1   68    1   17 o   7.8330   2.1770 2.120000 4.353000 
1 1 1   68    1   18 f   23.520   1.1580 0.3482000 2.315000 
1 1 1   68    1   19 o   12.270   2.1410 3.326000 4.282000 
1 1 1   68    1   20 o   25.780   1.0640 -1.250000 2.128000 
1 1 1   68    1   21 o   10.090   2.2810 -0.1788000 4.562000 
1 1 1   68    1   22 o   8.7090   2.1800 -3.243000 4.360000 
1 1 1   68    1   23 f   5.9360   1.8920 -1.343000 3.784000 
1 1 1   68    1   24 o   7.2130   2.0790 0.3849000E-01 4.158000 
1 1 1   68    1   25 o   14.280   1.7730 -6.354000 3.546000 
1 1 1   68    1   26 o   7.6660   2.0060 2.379000 4.012000 
1 1 1   68    1   27 o   6.1020   1.8690 -0.5783000 3.739000 
1 1 1   68    2    0 o   23.100   1.0100 -0.000000 0.000000 
1 1 1   68    2    1 o   23.400   0.7316 3.458000 1.463000 
1 1 1   68    2    2 o   80.650   0.7320 4.203000 1.464000 
1 1 1   68    2    3 o   39.940   0.5412 2.450000 1.082000 
1 1 1   68    2    4 o   46.110   0.5461 1.634000 1.092000 
1 1 1   68    2    5 o   12.180   1.3090 -0.8882000 2.618000 
1 1 1   68    2    6 o   20.140   0.8317 1.982000 1.663000 
1 1 1   68    2    7 o   37.840   0.5604 0.5191000 1.121000 
1 1 1   68    2    8 o   44.810   0.5503 -1.250000 1.101000 
1 1 1   68    2    9 o   48.940   0.5666 3.371000 1.133000 
1 1 1   68    2   10 o   12.400   1.4220 1.107000 2.843000 
1 1 1   68    2   11 f   37.820   0.5825 -3.811000 1.165000 
1 1 1   68    2   12 o   27.420   0.6932 0.9146000 1.386000 
1 1 1   68    2   13 o   41.230   0.5892 2.581000 1.178000 
1 1 1   68    2   14 o   22.100   0.8760 -0.6950000 1.752000 
1 1 1   68    2   15 o   6.3160   1.8310 -1.855000 3.662000 
1 1 1   68    2   16 o   28.930   0.7340 -1.818000 1.468000 
1 1 1   68    2   17 o   29.520   0.8457 2.035000 1.691000 
1 1 1   68    2   18 o   9.2820   2.0920 -3.037000 4.183000 
1 1 1   68    2   19 o   10.160   2.0160 2.269000 4.033000 
1 1 1   68    2   20 o   14.930   1.6050 -4.945000 3.210000 
1 1 1   68    2   21 o   25.270   0.9753 2.995000 1.951000 
1 1 1   68    2   22 o   14.110   1.6330 -5.645000 3.266000 
1 1 1   68    2   23 f   12.460   1.9470 7.520000 3.894000 
1 1 1   68    2   24 o   10.490   2.2030 -0.6411000 4.406000 
1 1 1   68    2   25 o   15.060   1.6370 1.479000 3.273000 
1 1 1   68    2   26 o   8.7110   2.1130 -0.6202000 4.227000 
1 1 1   68    2   27 o   7.2270   1.9750 -1.690000 3.950000 
1 1 1   68    3    0 o   15.270   1.7780 -0.000000 0.000000 
1 1 1   68    3    1 o   41.200   0.6566 0.8963000 1.313000 
1 1 1   68    3    2 o   14.610   1.3550 1.183000 2.710000 
1 1 1   68    3    3 o   41.220   0.6549 0.8352000 1.310000 
1 1 1   68    3    4 o   12.470   1.5550 0.2099000 3.110000 
1 1 1   68    3    5 o   75.350   0.8473 3.084000 1.695000 
1 1 1   68    3    6 o   24.390   0.8773 5.831000 1.755000 
1 1 1   68    3    7 o   15.510   1.2810 -3.361000 2.562000 
1 1 1   68    3    8 o   25.100   0.8580 2.254000 1.716000 
1 1 1   68    3    9 o   34.820   0.6525 1.406000 1.305000 
1 1 1   68    3   10 o   20.060   0.9893 1.779000 1.979000 
1 1 1   68    3   11 o   33.740   0.6726 -0.1690000E-01 1.345000 
1 1 1   68    3   12 o   6.5850   1.7970 -4.257000 3.594000 
1 1 1   68    3   13 o   16.660   1.1870 -0.4024000 2.374000 
1 1 1   68    3   14 o   31.180   0.7489 1.624000 1.498000 
1 1 1   68    3   15 o   34.620   0.7032 -0.3264000 1.406000 
1 1 1   68    3   16 o   21.000   0.9718 -0.1771000 1.944000 
1 1 1   68    3   17 o   11.370   1.8590 -4.030000 3.719000 
1 1 1   68    3   18 o   7.9410   1.9730 -2.359000 3.946000 
1 1 1   68    3   19 o   9.7540   1.9880 -2.176000 3.976000 
1 1 1   68    3   20 f   18.310   1.1660 -3.157000 2.331000 
1 1 1   68    3   21 o   24.820   0.8903 1.189000 1.781000 
1 1 1   68    3   22 o   10.970   1.8340 -4.172000 3.668000 
1 1 1   68    3   23 o   16.500   1.5040 3.467000 3.009000 
1 1 1   68    3   24 f   8.3890   2.0580 -2.462000 4.115000 
1 1 1   68    3   25 o   18.610   1.1170 -2.579000 2.234000 
1 1 1   68    3   26 o   8.5670   1.9530 0.6525000E-01 3.905000 
1 1 1   68    3   27 o   9.6580   1.8750 -3.031000 3.750000 
1 1 1   68    4    0 o   46.570   0.9436 -0.000000 0.000000 
1 1 1   68    4    1 o   12.770   1.5570 -1.561000 3.114000 
1 1 1   68    4    2 f   38.240   0.6841 2.628000 1.368000 
1 1 1   68    4    3 o   5.7840   1.6700 -4.126000 3.339000 
1 1 1   68    4    4 o   28.940   0.7499 -3.648000 1.500000 
1 1 1   68    4    5 f   36.370   0.6931 2.766000 1.386000 
1 1 1   68    4    6 o   51.500   0.6919 2.369000 1.384000 
1 1 1   68    4    7 o   40.090   0.6845 0.5368000 1.369000 
1 1 1   68    4    8 o   29.810   0.7745 -0.7121000 1.549000 
1 1 1   68    4    9 o   19.640   1.0530 1.689000 2.106000 
1 1 1   68    4   10 o   29.400   1.1090      ?      ? 
1 1 1   68    4   11 f   33.900   0.7294 -1.857000 1.459000 
1 1 1   68    4   12 o   8.3420   2.0460 -0.5803000 4.093000 
1 1 1   68    4   13 o   10.590   1.7870 7.116000 3.574000 
1 1 1   68    4   14 o   12.760   1.7950 -0.5679000 3.590000 
1 1 1   68    4   15 o   36.780   0.7752 -0.1887000 1.550000 
1 1 1   68    4   16 o   12.560   1.9220 5.490000 3.843000 
1 1 1   68    4   17 o   18.200   1.3480 1.139000 2.696000 
1 1 1   68    4   18 o   18.760   1.2040 -0.8544000 2.407000 
1 1 1   68    4   19 o   23.320   1.0160 -0.3214000 2.032000 
1 1 1   68    4   20 o   12.520   1.9110 2.786000 3.821000 
1 1 1   68    4   21 o   14.230   1.7370 4.330000 3.475000 
1 1 1   68    4   22 o   15.760   1.4570 -0.1343000 2.914000 
1 1 1   68    4   23 o   8.5980   1.9420 3.775000 3.884000 
1 1 1   68    4   24 o   7.2510   1.9860 -3.623000 3.971000 
1 1 1   68    4   25 o   16.840   1.1710 -1.123000 2.342000 
1 1 1   68    4   26 o   8.5660   1.7870 3.831000 3.574000 
1 1 1   68    4   27 f   7.1880   1.7830 -4.118000 3.567000 
1 1 1   68    5    0 o   4.4020   2.1190 -0.000000 0.000000 
1 1 1   68    5    1 o   28.120   0.7895 0.1446000 1.579000 
1 1 1   68    5    2 o   72.680   0.8327 -2.626000 1.665000 
1 1 1   68    5    3 o   28.680   0.7913 0.4478000 1.583000 
1 1 1   68    5    4 o   49.210   0.6917 3.946000 1.383000 
1 1 1   68    5    5 o   37.520   0.7021 -0.6230000 1.404000 
1 1 1   68    5    6 o   25.100   0.8679 -0.8181000 1.736000 
1 1 1   68    5    7 f   50.630   0.6949 0.2020000 1.390000 
1 1 1   68    5    8 o   19.290   1.1090 0.3723000 2.218000 
1 1 1   68    5    9 o   15.490   1.4230 6.099000 2.845000 
1 1 1   68    5   10 f   35.450   0.7319 0.7893000 1.464000 
1 1 1   68    5   11 o   22.620   1.0130 5.031000 2.026000 
1 1 1   68    5   12 o   12.150   1.8460 0.3198000 3.692000 
1 1 1   68    5   13 o   38.800   0.7396 -0.1017000 1.479000 
1 1 1   68    5   14 o   18.690   1.2860 -1.135000 2.573000 
1 1 1   68    5   15 o   25.000   1.0040 -2.168000 2.008000 
1 1 1   68    5   16 o   34.150   0.8387 1.448000 1.677000 
1 1 1   68    5   17 o   12.520   1.9620 6.128000 3.925000 
1 1 1   68    5   18 o   32.100   0.8716 -1.597000 1.743000 
1 1 1   68    5   19 o   28.470   0.9651 2.451000 1.930000 
1 1 1   68    5   20 o   12.140   2.0150 5.416000 4.030000 
1 1 1   68    5   21 o   7.4710   2.1070 -2.450000 4.214000 
1 1 1   68    5   22 o   13.400   1.9880 -2.548000 3.976000 
1 1 1   68    5   23 o   10.800   2.0640 -4.891000 4.128000 
1 1 1   68    5   24 o   9.1600   2.2050 1.286000 4.410000 
1 1 1   68    5   25 o   7.2910   1.9600 1.666000 3.921000 
1 1 1   68    5   26 o   15.630   1.3660 -4.682000 2.733000 
1 1 1   68    6    0 o   31.350   1.0720 -0.000000 0.000000 
1 1 1   68    6    1 o   18.510   1.1280 -0.6033000 2.257000 
1 1 1   68    6    2 o   20.420   1.0520 2.918000 2.105000 
1 1 1   68    6    3 o   18.370   1.2370 -6.590000 2.474000 
1 1 1   68    6    4 o   35.660   0.7176 1.647000 1.435000 
1 1 1   68    6    5 o   38.610   0.7076 -2.345000 1.415000 
1 1 1   68    6    6 o   32.610   0.7459 -0.9421000 1.492000 
1 1 1   68    6    7 o   42.790   0.6960 -1.244000 1.392000 
1 1 1   68    6    8 o   36.520   0.7278 1.100000 1.456000 
1 1 1   68    6    9 o   14.350   1.5570 -0.5810000 3.114000 
1 1 1   68    6   10 o   17.950   1.2730 2.352000 2.546000 
1 1 1   68    6   11 f   24.210   0.9863 0.5407000 1.973000 
1 1 1   68    6   12 o   55.480   0.7530 -0.8171000 1.506000 
1 1 1   68    6   13 o   19.980   1.7270      ?      ? 
1 1 1   68    6   14 o   30.250   0.8933 1.160000 1.787000 
1 1 1   68    6   15 o   55.740   0.7715 1.193000 1.543000 
1 1 1   68    6   16 o   8.9610   2.1580 -3.463000 4.315000 
1 1 1   68    6   17 o   10.530   2.1640 -3.612000 4.328000 
1 1 1   68    6   18 o   14.810   1.8090 -1.507000 3.618000 
1 1 1   68    6   19 o   8.5010   2.2090 -2.418000 4.419000 
1 1 1   68    6   20 o   22.320   1.2000 -3.623000 2.400000 
1 1 1   68    6   21 o   11.330   2.1980 -0.5756000 4.396000 
1 1 1   68    6   22 o   7.0090   2.0710 -2.582000 4.142000 
1 1 1   68    6   23 o   11.110   2.1450 2.398000 4.290000 
1 1 1   68    6   24 o   9.2130   2.2350 0.1409000 4.470000 
1 1 1   68    6   25 o   10.030   2.1490 1.761000 4.298000 
1 1 1   68    6   26 o   9.0280   2.1350 2.578000 4.269000 
1 1 1   68    7    0 o   9.1530   2.8860 -0.000000 0.000000 
1 1 1   68    7    1 o   33.190   0.7618 0.3903000E-01 1.524000 
1 1 1   68    7    2 f   11.730   1.8420 -2.640000 3.683000 
1 1 1   68    7    3 o   39.420   0.7146 -1.518000 1.429000 
1 1 1   68    7    4 o   32.780   0.7560 0.2902000 1.512000 
1 1 1   68    7    5 o   25.090   0.9166 1.410000 1.833000 
1 1 1   68    7    6 o   18.460   1.2120 4.459000 2.424000 
1 1 1   68    7    7 o   48.400   0.7232 2.608000 1.446000 
1 1 1   68    7    8 o   41.550   0.7238 1.127000 1.448000 
1 1 1   68    7    9 o   17.310   1.3210 0.3632000 2.642000 
1 1 1   68    7   10 o   31.930   0.8224 0.6520000 1.645000 
1 1 1   68    7   11 o   37.270   0.7732 0.7512000 1.546000 
1 1 1   68    7   12 o   24.730   1.0130 -2.604000 2.027000 
1 1 1   68    7   13 o   35.580   0.8186 -0.2896000 1.637000 
1 1 1   68    7   14 o   5.7980   2.6610      ?      ? 
1 1 1   68    7   15 o   14.170   1.8070 1.462000 3.615000 
1 1 1   68    7   16 o   13.330   2.0220 -0.3375000 4.043000 
1 1 1   68    7   17 o   11.540   2.1710 2.790000 4.343000 
1 1 1   68    7   18 o   23.650   1.1530 0.5077000 2.305000 
1 1 1   68    7   19 o   26.870   1.0500 -0.4342000 2.101000 
1 1 1   68    7   20 o   8.6130   2.1400 4.080000 4.279000 
1 1 1   68    7   21 o   8.6450   2.1760 -4.400000 4.351000 
1 1 1   68    7   22 o   9.0760   2.1250 4.164000 4.250000 
1 1 1   68    7   23 o   9.4910   2.2240 -3.075000 4.447000 
1 1 1   68    7   24 f   10.330   2.1780 -2.510000 4.357000 
1 1 1   68    7   25 o   10.070   2.1290 -4.787000 4.259000 
1 1 1   68    8    0 o   72.960   1.1990 -0.000000 0.000000 
1 1 1   68    8    1 o   51.500   0.7326 -0.8187000 1.465000 
1 1 1   68    8    2 o   25.680   0.9332 0.2419000 1.866000 
1 1 1   68    8    3 o   29.660   0.8410 -0.1350000 1.682000 
1 1 1   68    8    4 o   7.8230   2.0710 -1.192000 4.143000 
1 1 1   68    8    5 o   5.8020   1.8230 1.629000 3.646000 
1 1 1   68    8    6 o   12.230   1.8540 -5.628000 3.708000 
1 1 1   68    8    7 o   26.310   0.9487 -3.864000 1.897000 
1 1 1   68    8    8 o   20.850   1.1650 0.9072000 2.330000 
1 1 1   68    8    9 o   18.500   1.3340 -0.6235000 2.668000 
1 1 1   68    8   10 o   16.260   1.5300 -1.617000 3.060000 
1 1 1   68    8   11 o   26.670   0.9929 0.4612000 1.986000 
1 1 1   68    8   12 o   29.200   0.9496 -1.717000 1.899000 
1 1 1   68    8   13 o   17.610   1.4930 -3.583000 2.986000 
1 1 1   68    8   14 o   14.570   1.8910 -2.901000 3.783000 
1 1 1   68    8   15 o   7.0430   2.1180 1.622000 4.235000 
1 1 1   68    8   16 f   15.810   1.8120 -2.940000 3.625000 
1 1 1   68    8   17 o   17.820   1.6330 1.120000 3.266000 
1 1 1   68    8   18 o   18.440   1.4920 1.261000 2.984000 
1 1 1   68    8   19 f   12.820   2.1260 5.227000 4.253000 
1 1 1   68    8   20 f   7.3010   2.1600 -1.447000 4.319000 
1 1 1   68    8   21 o   20.260   1.3460 1.346000 2.693000 
1 1 1   68    8   22 o   7.3330   2.1610 0.1258000 4.322000 
1 1 1   68    8   23 o   8.4920   2.1760 -3.553000 4.351000 
1 1 1   68    8   24 o   8.3600   2.2440 -1.266000 4.488000 
1 1 1   68    8   25 o   9.9980   2.2720 -0.2649000 4.545000 
1 1 1   68    9    0 o   34.720   1.1470 -0.000000 0.000000 
1 1 1   68    9    1 o   45.910   0.7428 -0.2753000 1.486000 
1 1 1   68    9    2 o   7.9530   2.0970 2.760000 4.194000 
1 1 1   68    9    3 o   22.500   1.1360 -6.520000 2.272000 
1 1 1   68    9    4 o   18.930   1.3070 1.745000 2.614000 
1 1 1   68    9    5 o   22.460   1.0940 0.3612000 2.188000 
1 1 1   68    9    6 o   27.760   0.9265 -3.048000 1.853000 
1 1 1   68    9    7 o   28.530   0.9338 1.213000 1.868000 
1 1 1   68    9    8 o   26.730   0.9844 3.335000 1.969000 
1 1 1   68    9    9 o   25.290   1.0660 2.213000 2.132000 
1 1 1   68    9   10 o   14.350   1.9080 -4.584000 3.816000 
1 1 1   68    9   11 o   29.790   0.9739 -1.595000 1.948000 
1 1 1   68    9   12 o   24.930   1.1110 -0.7092000 2.222000 
1 1 1   68    9   13 o   17.660   1.5900 -2.214000 3.179000 
1 1 1   68    9   14 o   11.590   2.2860 -0.8430000 4.571000 
1 1 1   68    9   15 o   15.680   1.8890 -0.7109000 3.778000 
1 1 1   68    9   16 o   9.8910   2.3360 -2.526000 4.672000 
1 1 1   68    9   17 o   28.030   1.0410 -1.267000 2.082000 
1 1 1   68    9   18 o   9.6000   2.3480 0.1558000E-01 4.696000 
1 1 1   68    9   19 o   12.000   2.1500 -5.660000 4.299000 
1 1 1   68    9   20 o   15.450   1.8270 -2.822000 3.654000 
1 1 1   68    9   21 o   12.070   2.2040 1.046000 4.409000 
1 1 1   68    9   22 o   8.7850   2.2160 2.924000 4.432000 
1 1 1   68    9   23 o   5.4740   1.8220 -0.2941000 3.644000 
1 1 1   68    9   24 o   8.7410   2.1220 4.993000 4.245000 
1 1 1   68   10    0 o   42.080   1.0970 -0.000000 0.000000 
1 1 1   68   10    1 o   18.500   1.9260      ?      ? 
1 1 1   68   10    2 o   8.2450   2.1620 3.139000 4.324000 
1 1 1   68   10    3 o   8.5680   2.2050 -2.231000 4.411000 
1 1 1   68   10    4 o   22.790   1.1900 3.385000 2.380000 
1 1 1   68   10    5 o   13.810   2.6460      ?      ? 
1 1 1   68   10    6 o   19.170   1.9900      ?      ? 
1 1 1   68   10    7 o   9.4810   2.1410 4.758000 4.281000 
1 1 1   68   10    8 o   27.810   0.9978 0.5473000 1.996000 
1 1 1   68   10    9 o   17.670   1.5170 1.580000 3.034000 
1 1 1   68   10   10 o   11.670   2.2110 -1.841000 4.422000 
1 1 1   68   10   11 o   24.120   1.1750 -0.2832000 2.351000 
1 1 1   68   10   12 o   6.7910   2.9940      ?      ? 
1 1 1   68   10   13 o   18.690   1.5320 1.354000 3.063000 
1 1 1   68   10   14 o   6.6120   2.0880 -1.322000 4.176000 
1 1 1   68   10   15 o   11.730   2.1840 7.045000 4.368000 
1 1 1   68   10   16 o   28.660   1.0780 -0.5579000 2.156000 
1 1 1   68   10   17 o   10.710   2.1820 -5.579000 4.363000 
1 1 1   68   10   18 o   24.510   1.1860 -2.454000 2.372000 
1 1 1   68   10   19 o   10.930   2.3130 -2.844000 4.626000 
1 1 1   68   10   20 o   8.5500   2.3220 -0.8967000 4.643000 
1 1 1   68   10   21 f   8.7540   2.2930 0.6572000E-01 4.586000 
1 1 1   68   10   22 o   15.500   1.7780 1.688000 3.556000 
1 1 1   68   10   23 o   6.0490   1.9540 0.2013000 3.908000 
1 1 1   68   11    0 o   48.590   1.1290 -0.000000 0.000000 
1 1 1   68   11    1 o   24.010   1.6690      ?      ? 
1 1 1   68   11    2 o   8.7210   2.2890 -1.272000 4.578000 
1 1 1   68   11    3 o   18.800   1.5190 3.186000 3.038000 
1 1 1   68   11    4 o   27.480   1.0690 0.4596000 2.138000 
1 1 1   68   11    5 o   16.140   1.8150 4.719000 3.629000 
1 1 1   68   11    6 o   17.200   1.6030 1.932000 3.207000 
1 1 1   68   11    7 f   12.120   2.1910 -4.020000 4.382000 
1 1 1   68   11    8 o   39.240   0.8602 3.596000 1.720000 
1 1 1   68   11    9 o   8.6740   2.3320 0.1595000E-01 4.664000 
1 1 1   68   11   10 o   30.300   1.0330 -1.815000 2.065000 
1 1 1   68   11   11 o   25.220   1.2290 1.100000 2.458000 
1 1 1   68   11   12 o   11.760   2.3610 2.138000 4.722000 
1 1 1   68   11   13 o   11.150   2.3940 1.597000 4.788000 
1 1 1   68   11   14 o   15.010   2.0950 -0.9425000 4.190000 
1 1 1   68   11   15 f   23.860   1.3250 -3.532000 2.649000 
1 1 1   68   11   16 o   9.2050   2.3340 4.182000 4.667000 
1 1 1   68   11   17 o   19.170   1.6250 5.765000 3.250000 
1 1 1   68   11   18 o   10.390   2.1440 7.567000 4.287000 
1 1 1   68   11   19 o   10.230   2.3530 1.551000 4.707000 
1 1 1   68   11   20 o   12.120   2.2030 1.566000 4.407000 
1 1 1   68   11   21 o   9.8860   2.2630 1.997000 4.526000 
1 1 1   68   11   22 o   7.5730   2.1460 0.8460000 4.293000 
1 1 1   68   12    0 o   11.180   3.2650 -0.000000 0.000000 
1 1 1   68   12    1 o   17.200   1.7130 0.6288000 3.427000 
1 1 1   68   12    2 o   24.290   1.2390 -4.216000 2.479000 
1 1 1   68   12    3 o   15.560   1.9270 3.336000 3.854000 
1 1 1   68   12    4 o   9.3500   2.2980 4.396000 4.596000 
1 1 1   68   12    5 f   27.820   1.1110 2.034000 2.223000 
1 1 1   68   12    6 o   28.890   1.0970 -3.814000 2.193000 
1 1 1   68   12    7 o   6.2950   2.0300 -2.078000 4.060000 
1 1 1   68   12    8 o   15.590   1.9660 2.301000 3.931000 
1 1 1   68   12    9 o   10.680   2.2750 -5.819000 4.550000 
1 1 1   68   12   10 o   9.0310   2.3040 -4.136000 4.607000 
1 1 1   68   12   11 o   8.6550   2.1600 -6.222000 4.320000 
1 1 1   68   12   12 o   15.250   2.1280 6.067000 4.257000 
1 1 1   68   12   13 o   8.9970   2.4460 0.9603000 4.891000 
1 1 1   68   12   14 o   20.770   1.4780 -0.3937000 2.955000 
1 1 1   68   12   15 o   12.900   2.2600 -5.891000 4.521000 
1 1 1   68   12   16 o   7.5560   2.2850 -0.3168000E-01 4.570000 
1 1 1   68   12   17 o   7.1410   2.1870 -0.5706000 4.374000 
1 1 1   68   12   18 o   7.1380   2.1650 -0.7424000 4.330000 
1 1 1   68   12   19 o   10.770   2.2260 -0.7692000 4.452000 
1 1 1   68   12   20 o   9.3990   2.1570 -4.102000 4.314000 
1 1 1   68   12   21 o   8.7780   2.2360 -2.430000 4.472000 
1 1 1   68   13    0 o   9.2810   3.4220 -0.000000 0.000000 
1 1 1   68   13    1 o   12.620   2.2880 3.805000 4.577000 
1 1 1   68   13    2 o   34.950   0.9699 2.494000 1.940000 
1 1 1   68   13    3 o   23.620   1.3340 -0.6060000 2.669000 
1 1 1   68   13    4 o   8.8560   2.3590 -2.517000 4.717000 
1 1 1   68   13    5 o   17.450   1.8290 -3.918000 3.658000 
1 1 1   68   13    6 o   13.210   2.2820 -5.162000 4.563000 
1 1 1   68   13    7 o   17.970   1.8160 -2.550000 3.631000 
1 1 1   68   13    8 f   35.190   0.9826 1.906000 1.965000 
1 1 1   68   13    9 o   15.130   2.1320 0.2494000 4.265000 
1 1 1   68   13   10 o   15.390   2.0550 4.652000 4.109000 
1 1 1   68   13   11 o   18.830   1.7990 -5.773000 3.599000 
1 1 1   68   13   12 o   9.7580   2.4860 -1.278000 4.973000 
1 1 1   68   13   13 o   9.3270   2.3180 -5.059000 4.636000 
1 1 1   68   13   14 f   14.820   2.2300 2.602000 4.460000 
1 1 1   68   13   15 o   17.060   1.8320 0.7883000 3.663000 
1 1 1   68   13   16 o   13.960   2.0530 -1.742000 4.106000 
1 1 1   68   13   17 o   8.4030   2.0690 5.513000 4.137000 
1 1 1   68   13   18 o   7.4750   2.1740 0.3494000 4.348000 
1 1 1   68   13   19 o   8.1200   2.1710 -2.425000 4.342000 
1 1 1   68   13   20 o   11.250   2.0560 -5.921000 4.111000 
1 1 1   68   14    0 o   12.180   3.4960 -0.000000 0.000000 
1 1 1   68   14    1 o   11.030   2.5200 1.315000 5.040000 
1 1 1   68   14    2 o   26.650   1.2500 -0.6769000 2.500000 
1 1 1   68   14    3 o   11.650   2.1360 -9.236000 4.273000 
1 1 1   68   14    4 o   8.1080   2.3520 2.547000 4.703000 
1 1 1   68   14    5 o   12.890   2.3750 -0.9495000 4.750000 
1 1 1   68   14    6 o   13.710   2.2690 -6.421000 4.537000 
1 1 1   68   14    7 o   22.560   1.4630 -2.985000 2.926000 
1 1 1   68   14    8 o   9.2620   2.3100 -4.391000 4.620000 
1 1 1   68   14    9 o   14.290   2.2360 6.275000 4.472000 
1 1 1   68   14   10 o   14.300   2.2630 -0.8768000 4.525000 
1 1 1   68   14   11 o   14.480   2.2620 -0.8018000 4.524000 
1 1 1   68   14   12 o   8.3230   2.2680 5.152000 4.537000 
1 1 1   68   14   13 o   8.1550   2.3080 0.1657000 4.617000 
1 1 1   68   14   14 o   7.3150   2.1950 -1.003000 4.390000 
1 1 1   68   14   15 o   9.0160   2.2800 -4.151000 4.560000 
1 1 1   68   14   16 o   7.2720   2.1720 -1.032000 4.345000 
1 1 1   68   14   17 o   6.5240   2.0220 -2.797000 4.044000 
1 1 1   68   14   18 o   8.3220   1.8240 7.798000 3.649000 
1 1 1   68   14   19 o   10.300   2.1280 4.704000 4.257000 
1 1 1   68   15    0 o   8.0510   3.3610 -0.000000 0.000000 
1 1 1   68   15    1 o   21.740   1.4970 0.4378000 2.995000 
1 1 1   68   15    2 o   6.6470   2.1470 0.1413000 4.293000 
1 1 1   68   15    3 o   13.220   2.2420 -7.528000 4.483000 
1 1 1   68   15    4 o   10.130   3.5440      ?      ? 
1 1 1   68   15    5 o   17.140   1.9990 3.399000 3.998000 
1 1 1   68   15    6 o   10.400   2.4060 3.609000 4.812000 
1 1 1   68   15    7 o   7.7440   2.3070 2.147000 4.614000 
1 1 1   68   15    8 o   8.8260   2.3230 4.596000 4.645000 
1 1 1   68   15    9 o   8.1230   2.3470 -2.416000 4.694000 
1 1 1   68   15   10 o   15.340   2.0030 1.258000 4.006000 
1 1 1   68   15   11 o   8.1900   2.3170 -2.059000 4.633000 
1 1 1   68   15   12 o   9.9900   2.3880 -2.224000 4.776000 
1 1 1   68   15   13 f   9.4820   2.3870 -1.868000 4.774000 
1 1 1   68   15   14 o   9.6680   2.3630 1.251000 4.727000 
1 1 1   68   15   15 o   8.1190   2.2440 -1.953000 4.488000 
1 1 1   68   15   16 o   9.1150   1.9990 6.707000 3.998000 
1 1 1   68   15   17 o   5.7220   1.8820 -0.2367000 3.764000 
1 1 1   68   16    0 o   12.010   3.6100 -0.000000 0.000000 
1 1 1   68   16    1 o   8.3350   2.4350 0.2195000 4.869000 
1 1 1   68   16    2 o   9.1960   2.5100 -1.817000 5.021000 
1 1 1   68   16    3 o   13.590   2.4010 2.949000 4.801000 
1 1 1   68   16    4 o   15.280   2.2620 1.149000 4.525000 
1 1 1   68   16    5 o   10.430   2.5800 1.143000 5.159000 
1 1 1   68   16    6 o   10.310   2.2180 -7.823000 4.437000 
1 1 1   68   16    7 o   12.270   2.3180 -4.810000 4.636000 
1 1 1   68   16    8 o   7.4160   2.2510 -0.8319000 4.502000 
1 1 1   68   16    9 o   6.4210   2.0730 -1.267000 4.146000 
1 1 1   68   16   10 o   8.5380   2.3620 -1.710000 4.724000 
1 1 1   68   16   11 o   13.540   2.2140 1.248000 4.429000 
1 1 1   68   16   12 o   7.2570   2.1860 -0.1473000 4.372000 
1 1 1   68   16   13 o   12.180   2.2600 -0.4939000 4.521000 
1 1 1   68   16   14 o   10.370   2.3690 0.5341000 4.737000 
1 1 1   68   16   15 o   7.1140   2.1280 1.407000 4.257000 
1 1 1   68   17    0 o   7.6820   3.2910 -0.000000 0.000000 
1 1 1   68   17    1 o   7.2540   2.1760 5.047000 4.351000 
1 1 1   68   17    2 o   9.1940   2.4480 -0.9874000 4.896000 
1 1 1   68   17    3 o   10.840   2.3430 -4.938000 4.687000 
1 1 1   68   17    4 f   9.4200   2.4230 -1.532000 4.845000 
1 1 1   68   17    5 o   8.4080   2.2650 3.516000 4.531000 
1 1 1   68   17    6 o   8.3940   2.1880 4.616000 4.377000 
1 1 1   68   17    7 o   6.5220   2.0850 -0.3307000E-01 4.169000 
1 1 1   68   17    8 o   9.6080   2.1530 -6.472000 4.306000 
1 1 1   68   17    9 o   10.820   2.3530 2.734000 4.707000 
1 1 1   68   17   10 o   8.1470   2.1770 4.582000 4.353000 
1 1 1   68   17   11 o   8.6780   2.3500 -1.907000 4.700000 
1 1 1   68   17   12 o   7.5620   2.2400 -1.951000 4.480000 
1 1 1   68   17   13 o   7.7010   2.2710 -2.375000 4.542000 
1 1 1   68   18    0 o   10.420   3.3150 -0.000000 0.000000 
1 1 1   68   18    1 o   9.6300   2.1120 6.521000 4.225000 
1 1 1   68   18    2 o   6.0430   1.9470 2.146000 3.893000 
1 1 1   68   18    3 o   5.3250   1.8000 0.5847000 3.600000 
1 1 1   68   18    4 o   8.4160   2.2910 -1.498000 4.583000 
1 1 1   68   18    5 o   12.540   2.0450 8.458000 4.090000 
1 1 1   68   18    6 o   6.3980   2.0560 -1.166000 4.113000 
1 1 1   68   18    7 o   7.7660   2.2220 -2.689000 4.444000 
1 1 1   68   18    8 o   11.210   2.2980 2.416000 4.597000 
1 1 1   68   18    9 o   10.230   2.4070 -0.1433000 4.814000 
1 1 1   68   18   10 o   9.6030   2.8740 -2.304000 5.749000 
1 1 1   68   19    0 o   6.0450   2.7880 -0.000000 0.000000 
1 1 1   68   19    1 o   7.0890   2.1120 2.712000 4.223000 
1 1 1   68   19    2 o   9.8850   2.3270 1.483000 4.654000 
1 1 1   68   19    3 o   8.3740   2.2600 0.7943000 4.520000 
1 1 1   68   19    4 o   6.3800   2.0250 -0.6875000E-02 4.051000 
1 1 1   68   19    5 o   10.560   3.1540 0.3015000 6.308000 
1 1 1   69    0    1 o   14.360   2.0880 -0.000000 0.000000 
1 1 1   69    0    2 o   51.030   0.9929 -0.000000 0.000000 
1 1 1   69    0    3 o   16.910   1.8660 -0.000000 0.000000 
1 1 1   69    0    4 o   55.540   1.0220 -0.000000 0.000000 
1 1 1   69    0    5 o   8.5810   2.9970 -0.000000 0.000000 
1 1 1   69    0    6 o   6.1580   2.6900 -0.000000 0.000000 
1 1 1   69    0    7 o   20.620   1.5320 -0.000000 0.000000 
1 1 1   69    0    8 o   8.4540   2.9130 -0.000000 0.000000 
1 1 1   69    0    9 o   56.310   1.0500 -0.000000 0.000000 
1 1 1   69    0   10 o   45.170   1.0200 -0.000000 0.000000 
1 1 1   69    0   11 o   22.590   1.5220 -0.000000 0.000000 
1 1 1   69    0   12 f   23.850   1.5170 -0.000000 0.000000 
1 1 1   69    0   13 o   96.760   1.4990 -0.000000 0.000000 
1 1 1   69    0   14 o   14.240   2.6380 -0.000000 0.000000 
1 1 1   69    0   15 o   15.850   2.3770 -0.000000 0.000000 
1 1 1   69    0   16 o   8.8240   3.1930 -0.000000 0.000000 
1 1 1   69    0   17 o   9.1610   3.1940 -0.000000 0.000000 
1 1 1   69    0   18 f   6.1710   2.8080 -0.000000 0.000000 
1 1 1   69    0   19 o   6.0930   2.7730 -0.000000 0.000000 
1 1 1   69    0   20 o   18.580   2.1030 -0.000000 0.000000 
1 1 1   69    0   21 o   8.1640   3.1600 -0.000000 0.000000 
1 1 1   69    0   22 o   27.790   1.3750 -0.000000 0.000000 
1 1 1   69    0   23 o   9.6680   3.1240 -0.000000 0.000000 
1 1 1   69    0   24 o   16.050   2.1930 -0.000000 0.000000 
1 1 1   69    0   25 o   6.8720   2.8950 -0.000000 0.000000 
1 1 1   69    0   26 o   7.8730   2.9230 -0.000000 0.000000 
1 1 1   69    0   27 o   6.2450   2.6830 -0.000000 0.000000 
1 1 1   69    1    0 o   41.270   0.7711 -0.000000 0.000000 
1 1 1   69    1    1 o   35.060   0.5612 -1.859000 1.122000 
1 1 1   69    1    2 o   13.860   1.1620 1.209000 2.325000 
1 1 1   69    1    3 o   43.070   0.5423 -0.8801000 1.085000 
1 1 1   69    1    4 o   36.300   0.5622 2.854000 1.124000 
1 1 1   69    1    5 o   12.970   1.4770 -2.903000 2.955000 
1 1 1   69    1    6 o   29.540   0.7362 -0.4589000 1.472000 
1 1 1   69    1    7 o   35.500   0.6499 -0.6893000E-01 1.300000 
1 1 1   69    1    8 o   38.080   0.6485 -3.590000 1.297000 
1 1 1   69    1    9 o   40.910   0.6481 1.511000 1.296000 
1 1 1   69    1   10 o   48.810   0.6531 1.098000 1.306000 
1 1 1   69    1   11 o   48.390   0.6515 -1.988000 1.303000 
1 1 1   69    1   12 o   45.990   0.7386 2.118000 1.477000 
1 1 1   69    1   13 o   25.880   0.9875 2.086000 1.975000 
1 1 1   69    1   14 o   31.270   0.8753 0.6016000 1.751000 
1 1 1   69    1   15 o   11.490   2.1110 3.922000 4.222000 
1 1 1   69    1   16 o   15.560   1.7860 1.270000 3.573000 
1 1 1   69    1   17 o   12.010   2.1310 -4.093000 4.262000 
1 1 1   69    1   18 o   9.7030   1.9130 -8.325000 3.826000 
1 1 1   69    1   19 o   8.8350   2.2720 -2.679000 4.545000 
1 1 1   69    1   20 o   11.020   2.2590 1.891000 4.517000 
1 1 1   69    1   21 o   10.030   2.0910 -6.034000 4.182000 
1 1 1   69    1   22 o   8.3820   2.1880 -2.080000 4.375000 
1 1 1   69    1   23 f   6.7580   2.0520 1.353000 4.104000 
1 1 1   69    1   24 o   14.770   1.7680 4.917000 3.536000 
1 1 1   69    1   25 o   8.2140   2.1440 -1.280000 4.287000 
1 1 1   69    1   26 o   9.3440   2.0530 -2.032000 4.105000 
1 1 1   69    1   27 o   9.2550   1.8250 -6.375000 3.651000 
1 1 1   69    2    0 o   7.5480   2.5070 -0.000000 0.000000 
1 1 1   69    2    1 o   32.800   0.5861 2.902000 1.172000 
1 1 1   69    2    2 o   33.410   0.6422 -1.931000 1.284000 
1 1 1   69    2    3 o   35.240   0.5642 1.939000 1.128000 
1 1 1   69    2    4 o   8.2550   1.7660 0.4803000 3.532000 
1 1 1   69    2    5 o   34.020   0.5769 -3.744000 1.154000 
1 1 1   69    2    6 f   42.710   0.5589 0.9572000 1.118000 
1 1 1   69    2    7 o   60.150   0.6028 -3.116000 1.206000 
1 1 1   69    2    8 o   25.790   0.7039 0.4641000 1.408000 
1 1 1   69    2    9 o   18.170   0.9583 -1.278000 1.917000 
1 1 1   69    2   10 o   24.160   0.7699 1.106000 1.540000 
1 1 1   69    2   11 o   21.420   0.8570 -1.334000 1.714000 
1 1 1   69    2   12 o   6.0170   1.7770 -0.1012000 3.555000 
1 1 1   69    2   13 o   30.000   0.6969 0.6058000 1.394000 
1 1 1   69    2   14 o   10.260   1.7200 5.832000 3.440000 
1 1 1   69    2   15 o   13.340   1.5230 -1.402000 3.046000 
1 1 1   69    2   16 o   26.830   0.8123 -0.6774000 1.625000 
1 1 1   69    2   17 o   29.500   0.8666 0.2974000 1.733000 
1 1 1   69    2   18 o   24.860   1.0160 2.354000 2.031000 
1 1 1   69    2   19 o   13.920   1.7590 -0.5759000 3.518000 
1 1 1   69    2   20 o   26.630   0.9335 -0.8922000 1.867000 
1 1 1   69    2   21 o   7.6890   2.1510 -0.2040000 4.302000 
1 1 1   69    2   22 o   11.230   1.8500 5.877000 3.700000 
1 1 1   69    2   23 o   18.250   1.5290 5.781000 3.059000 
1 1 1   69    2   24 o   6.1200   1.9410 0.4320000 3.882000 
1 1 1   69    2   25 o   19.960   1.2360 -1.037000 2.471000 
1 1 1   69    2   26 o   7.5420   1.9980 3.207000 3.997000 
1 1 1   69    2   27 o   7.8400   2.0690 2.040000 4.138000 
1 1 1   69    3    0 o   46.840   0.9363 -0.000000 0.000000 
1 1 1   69    3    1 o   9.0060   1.9610 0.1935000 3.923000 
1 1 1   69    3    2 o   48.280   0.6754 -0.8519000 1.351000 
1 1 1   69    3    3 o   36.540   0.6739 0.7050000E-01 1.348000 
1 1 1   69    3    4 o   10.460   1.7960 2.957000 3.591000 
1 1 1   69    3    5 o   21.750   0.9138 0.2303000 1.828000 
1 1 1   69    3    6 o   58.980   0.7287 -0.9475000 1.457000 
1 1 1   69    3    7 o   42.110   0.6735 -2.277000 1.347000 
1 1 1   69    3    8 f   12.120   1.7360 4.370000 3.472000 
1 1 1   69    3    9 f   33.220   0.6661 1.422000 1.332000 
1 1 1   69    3   10 o   17.730   1.0970 -0.9714000 2.194000 
1 1 1   69    3   11 o   28.340   0.7565 -2.015000 1.513000 
1 1 1   69    3   12 o   44.260   0.6421 0.9961000E-01 1.284000 
1 1 1   69    3   13 o   26.020   0.8158 -1.806000 1.632000 
1 1 1   69    3   14 o   8.7810   2.0290 -2.665000 4.057000 
1 1 1   69    3   15 o   5.2030   1.6610 1.802000 3.322000 
1 1 1   69    3   16 o   24.050   0.9034 -0.1937000 1.807000 
1 1 1   69    3   17 o   26.210   0.8419 0.3370000 1.684000 
1 1 1   69    3   18 o   24.790   0.8796 0.2922000 1.759000 
1 1 1   69    3   19 o   16.100   1.3870 -3.302000 2.775000 
1 1 1   69    3   20 o   7.1070   1.9110 -3.645000 3.822000 
1 1 1   69    3   21 o   24.320   0.9059 2.035000 1.812000 
1 1 1   69    3   22 o   8.7700   2.0290 -0.1648000 4.058000 
1 1 1   69    3   23 o   7.8890   2.0150 1.977000 4.031000 
1 1 1   69    3   24 o   5.2860   1.7110 -3.029000 3.422000 
1 1 1   69    3   25 o   7.4820   1.8260 -5.773000 3.652000 
1 1 1   69    3   26 o   19.060   1.0780 -0.4892000 2.156000 
1 1 1   69    3   27 o   10.960   1.8150 -0.4353000 3.629000 
1 1 1   69    4    0 o   23.310   1.2530 -0.000000 0.000000 
1 1 1   69    4    1 o   33.340   0.7199 3.167000 1.440000 
1 1 1   69    4    2 o   17.090   1.2110 4.607000 2.422000 
1 1 1   69    4    3 o   28.190   0.7741 2.149000 1.548000 
1 1 1   69    4    4 o   20.830   1.0150 -1.903000 2.029000 
1 1 1   69    4    5 o   52.470   0.6956 -1.383000 1.391000 
1 1 1   69    4    6 o   29.910   0.7748 1.216000 1.550000 
1 1 1   69    4    7 o   6.4920   1.8870 0.4989000 3.773000 
1 1 1   69    4    8 o   42.950   0.6939 -0.5684000E-02 1.388000 
1 1 1   69    4    9 o   21.960   0.9854 2.234000 1.971000 
1 1 1   69    4   10 o   27.940   0.8251 -4.074000 1.650000 
1 1 1   69    4   11 o   19.320   1.5570      ?      ? 
1 1 1   69    4   12 o   29.980   0.8115 2.017000 1.623000 
1 1 1   69    4   13 o   10.530   2.0180 0.2844000E-01 4.036000 
1 1 1   69    4   14 o   12.020   1.8510 -7.868000 3.702000 
1 1 1   69    4   15 o   29.200   0.8989 2.657000 1.798000 
1 1 1   69    4   16 o   17.280   1.4270 -2.332000 2.854000 
1 1 1   69    4   17 o   10.570   1.8940 7.244000 3.788000 
1 1 1   69    4   18 o   12.740   1.8410 2.978000 3.681000 
1 1 1   69    4   19 o   21.060   1.1200 -0.4847000 2.241000 
1 1 1   69    4   20 o   25.070   0.9850 -2.609000 1.970000 
1 1 1   69    4   21 o   9.9760   2.0190 -5.279000 4.037000 
1 1 1   69    4   22 o   19.400   1.2400 1.569000 2.480000 
1 1 1   69    4   23 o   15.400   1.5160 0.4674000 3.032000 
1 1 1   69    4   24 o   7.5930   1.9400 -5.397000 3.880000 
1 1 1   69    4   25 o   13.050   1.5290 -1.854000 3.058000 
1 1 1   69    4   26 o   5.8670   1.7360 -3.258000 3.473000 
1 1 1   69    5    1 o   43.500   0.6917 2.592000 1.383000 
1 1 1   69    5    2 o   11.240   1.8660 3.547000 3.732000 
1 1 1   69    5    3 o   88.310   0.9707 0.7241000 1.941000 
1 1 1   69    5    4 o   27.330   0.8395 0.3070000 1.679000 
1 1 1   69    5    5 o   47.210   0.6894 -1.666000 1.379000 
1 1 1   69    5    6 o   28.620   0.7931 -1.212000 1.586000 
1 1 1   69    5    7 o   33.840   0.7410 -1.628000 1.482000 
1 1 1   69    5    8 o   31.810   0.7792 0.2559000 1.558000 
1 1 1   69    5    9 o   16.070   1.3680 -4.035000 2.736000 
1 1 1   69    5   10 o   13.340   1.7260 6.059000 3.453000 
1 1 1   69    5   11 o   45.670   0.7068 1.048000 1.414000 
1 1 1   69    5   12 o   29.910   0.8466 2.119000 1.693000 
1 1 1   69    5   13 o   35.890   0.7799 -0.3668000 1.560000 
1 1 1   69    5   14 o   39.710   0.7568 -2.125000 1.514000 
1 1 1   69    5   15 o   12.170   2.0370 -3.965000 4.074000 
1 1 1   69    5   16 o   12.930   1.9480 -1.266000 3.896000 
1 1 1   69    5   17 o   9.2650   2.1000 -5.255000 4.200000 
1 1 1   69    5   18 o   18.580   1.4350 2.568000 2.871000 
1 1 1   69    5   19 o   31.250   0.8948 -1.881000 1.790000 
1 1 1   69    5   20 o   10.130   2.2320 -1.362000 4.464000 
1 1 1   69    5   21 o   17.750   1.5010 -1.314000 3.001000 
1 1 1   69    5   22 o   16.460   1.6110 0.5874000 3.222000 
1 1 1   69    5   23 o   13.920   1.8920 1.811000 3.783000 
1 1 1   69    5   24 o   6.8120   1.9820 -0.4497000 3.963000 
1 1 1   69    5   25 o   8.6660   2.0410 -3.442000 4.083000 
1 1 1   69    5   26 o   7.4630   2.0020 0.2744000 4.003000 
1 1 1   69    6    0 o   28.980   1.1470 -0.000000 0.000000 
1 1 1   69    6    1 o   15.720   1.3800 0.3467000 2.759000 
1 1 1   69    6    2 o   24.340   0.9375 -4.845000 1.875000 
1 1 1   69    6    3 o   20.450   1.1080 -5.760000 2.215000 
1 1 1   69    6    4 o   7.0640   1.9170 -3.118000 3.833000 
1 1 1   69    6    5 o   23.240   0.9644 -3.038000 1.929000 
1 1 1   69    6    6 o   22.600   0.9876 -0.2908000 1.975000 
1 1 1   69    6    7 o   7.3560   1.9650 2.416000 3.930000 
1 1 1   69    6    8 o   7.9570   2.0330 2.022000 4.067000 
1 1 1   69    6    9 o   30.810   0.8208 -2.851000 1.642000 
1 1 1   69    6   10 o   26.540   0.9150 -0.5674000 1.830000 
1 1 1   69    6   11 o   13.930   1.7500 9.062000 3.499000 
1 1 1   69    6   12 o   18.380   1.3090 -1.223000 2.618000 
1 1 1   69    6   13 o   18.060   1.4580 5.329000 2.915000 
1 1 1   69    6   14 o   22.570   1.1310 -3.591000 2.261000 
1 1 1   69    6   15 o   19.490   1.3580 2.293000 2.717000 
1 1 1   69    6   16 o   27.150   1.4610      ?      ? 
1 1 1   69    6   17 o   31.330   0.9247 2.310000 1.849000 
1 1 1   69    6   18 o   38.230   0.8191 2.216000 1.638000 
1 1 1   69    6   19 o   20.120   1.3420 0.7571000 2.685000 
1 1 1   69    6   20 o   16.720   1.6460 2.534000 3.292000 
1 1 1   69    6   21 o   9.0900   3.2930      ?      ? 
1 1 1   69    6   22 o   12.700   2.0310 -1.887000 4.063000 
1 1 1   69    6   23 o   15.960   1.6660 0.4307000 3.331000 
1 1 1   69    6   24 o   12.140   1.7610 -11.31000 3.523000 
1 1 1   69    6   25 o   8.7380   2.0320 5.033000 4.064000 
1 1 1   69    6   26 o   6.2570   1.9600 -0.3904000 3.921000 
1 1 1   69    7    0 f   8.1800   2.9440 -0.000000 0.000000 
1 1 1   69    7    1 o   14.940   1.5270 2.150000 3.054000 
1 1 1   69    7    2 o   44.360   0.7110 0.6604000 1.422000 
1 1 1   69    7    3 o   23.150   0.9721 -4.102000 1.944000 
1 1 1   69    7    4 o   39.550   0.7261 -0.3951000 1.452000 
1 1 1   69    7    5 o   13.840   1.6530 -2.822000 3.306000 
1 1 1   69    7    6 o   61.350   0.7725 -0.8308000 1.545000 
1 1 1   69    7    7 o   10.780   2.0280 -2.186000 4.057000 
1 1 1   69    7    8 o   16.310   1.4170 -1.814000 2.835000 
1 1 1   69    7    9 o   42.340   0.7512 3.435000 1.502000 
1 1 1   69    7   10 o   8.4690   2.0830 3.301000 4.167000 
1 1 1   69    7   11 o   19.690   1.2480 2.590000 2.496000 
1 1 1   69    7   12 f   21.980   1.1580 -0.1565000E-01 2.317000 
1 1 1   69    7   13 f   36.590   0.8285 -0.9857000 1.657000 
1 1 1   69    7   14 o   15.700   1.6390 -2.653000 3.277000 
1 1 1   69    7   15 o   21.700   1.2220 1.691000 2.445000 
1 1 1   69    7   16 o   15.870   1.6730 0.2978000 3.346000 
1 1 1   69    7   17 o   9.9330   2.3510 0.6034000E-01 4.701000 
1 1 1   69    7   18 o   12.630   1.9210 9.900000 3.841000 
1 1 1   69    7   19 o   10.050   2.3090 -0.4234000 4.618000 
1 1 1   69    7   20 o   35.890   1.2500      ?      ? 
1 1 1   69    7   21 o   8.7110   2.2510 0.6524000 4.503000 
1 1 1   69    7   22 o   8.3290   2.2310 -0.2280000 4.461000 
1 1 1   69    7   23 o   10.010   2.0570 -6.349000 4.113000 
1 1 1   69    7   24 f   8.5880   2.2040 -2.193000 4.409000 
1 1 1   69    7   25 o   8.1870   2.1900 0.9288000E-01 4.380000 
1 1 1   69    8    0 o   32.320   1.1040 -0.000000 0.000000 
1 1 1   69    8    1 o   22.170   1.1020 5.760000 2.204000 
1 1 1   69    8    2 o   34.620   0.7715 1.351000 1.543000 
1 1 1   69    8    3 o   37.650   0.7662 0.3916000 1.532000 
1 1 1   69    8    4 o   12.210   2.6940      ?      ? 
1 1 1   69    8    5 o   22.680   1.0060 0.8535000 2.012000 
1 1 1   69    8    6 o   6.7460   1.9750 -1.848000 3.950000 
1 1 1   69    8    7 o   19.310   1.7090      ?      ? 
1 1 1   69    8    8 o   18.620   1.3260 3.775000 2.651000 
1 1 1   69    8    9 o   11.270   3.0220      ?      ? 
1 1 1   69    8   10 o   6.4680   2.0110 -0.1533000 4.021000 
1 1 1   69    8   11 o   22.480   1.1750 -2.903000 2.350000 
1 1 1   69    8   12 o   16.820   1.6240 -5.663000 3.247000 
1 1 1   69    8   13 o   15.370   1.8090 1.635000 3.618000 
1 1 1   69    8   14 o   23.380   1.1750 2.802000 2.350000 
1 1 1   69    8   15 o   8.9350   2.3220 -0.6337000 4.645000 
1 1 1   69    8   16 o   12.300   2.1880 2.817000 4.376000 
1 1 1   69    8   17 o   5.9340   1.9440 0.4692000 3.887000 
1 1 1   69    8   18 o   16.700   1.7860 -6.273000 3.572000 
1 1 1   69    8   19 o   15.400   1.8310 -3.841000 3.663000 
1 1 1   69    8   20 o   9.5570   2.3120 -0.2515000 4.624000 
1 1 1   69    8   21 o   10.740   2.2700 -2.202000 4.540000 
1 1 1   69    8   22 o   7.5160   2.1720 -0.6631000 4.345000 
1 1 1   69    8   23 o   6.8610   2.0490 -2.173000 4.097000 
1 1 1   69    8   24 o   10.230   2.2690 1.871000 4.537000 
1 1 1   69    8   25 o   9.0560   2.5400 -0.8797000 5.079000 
1 1 1   69    9    0 o   20.020   1.6780 -0.000000 0.000000 
1 1 1   69    9    1 o   30.160   1.2580      ?      ? 
1 1 1   69    9    2 o   18.110   1.3790 0.2320000 2.758000 
1 1 1   69    9    3 o   19.400   1.3390 2.704000 2.679000 
1 1 1   69    9    4 o   31.550   0.8813 -0.6830000 1.763000 
1 1 1   69    9    5 o   25.780   1.0120 0.6382000 2.024000 
1 1 1   69    9    6 o   6.0560   1.9160 0.2073000 3.832000 
1 1 1   69    9    7 o   30.960   0.8818 1.451000 1.764000 
1 1 1   69    9    8 o   22.250   1.2140 5.768000 2.428000 
1 1 1   69    9    9 o   12.220   2.0840 0.8307000 4.168000 
1 1 1   69    9   10 o   10.900   2.2160 -0.6241000 4.431000 
1 1 1   69    9   11 o   9.6570   1.9950 7.089000 3.990000 
1 1 1   69    9   12 o   12.830   2.1370 0.7645000 4.273000 
1 1 1   69    9   13 o   23.500   1.1950 0.5191000 2.391000 
1 1 1   69    9   14 o   19.160   1.4830 -1.721000 2.967000 
1 1 1   69    9   15 o   7.3470   2.1920 -1.925000 4.385000 
1 1 1   69    9   16 o   15.480   1.9480 -6.349000 3.895000 
1 1 1   69    9   17 o   19.710   2.0410      ?      ? 
1 1 1   69    9   18 o   8.6720   2.1540 5.248000 4.308000 
1 1 1   69    9   19 o   6.3900   2.0220 1.353000 4.044000 
1 1 1   69    9   20 o   10.690   2.3030 2.420000 4.606000 
1 1 1   69    9   21 o   6.9500   2.0900 1.809000 4.179000 
1 1 1   69    9   22 o   6.8080   2.0590 1.712000 4.117000 
1 1 1   69    9   23 o   9.7860   2.2780 -0.2545000 4.557000 
1 1 1   69    9   24 o   9.9320   2.0320 6.927000 4.065000 
1 1 1   69   10    0 o   7.6790   3.0860 -0.000000 0.000000 
1 1 1   69   10    1 o   6.9020   2.0870 0.8877000 4.173000 
1 1 1   69   10    2 o   12.340   2.0850 2.151000 4.170000 
1 1 1   69   10    3 o   28.810   0.9779 -0.6146000 1.956000 
1 1 1   69   10    4 o   15.990   1.6520 1.102000 3.305000 
1 1 1   69   10    5 o   15.330   2.4580      ?      ? 
1 1 1   69   10    6 o   28.760   0.9794 0.9113000 1.959000 
1 1 1   69   10    7 o   9.8950   2.0120 7.229000 4.023000 
1 1 1   69   10    8 o   9.6980   2.1720 4.939000 4.345000 
1 1 1   69   10    9 o   9.4560   2.2980 0.7432000 4.596000 
1 1 1   69   10   10 o   13.820   2.0040 -0.6009000 4.007000 
1 1 1   69   10   11 o   13.090   2.1440 2.143000 4.288000 
1 1 1   69   10   12 o   9.3690   2.2940 3.150000 4.588000 
1 1 1   69   10   13 o   18.940   1.6270 -4.694000 3.255000 
1 1 1   69   10   14 o   9.7380   2.3840 -2.399000 4.768000 
1 1 1   69   10   15 o   8.1310   2.2650 3.431000 4.530000 
1 1 1   69   10   16 o   6.6650   2.9520      ?      ? 
1 1 1   69   10   17 o   10.860   2.3510 0.1301000 4.703000 
1 1 1   69   10   18 o   7.1690   2.1120 -3.188000 4.223000 
1 1 1   69   10   19 o   7.0600   2.1120 -2.511000 4.223000 
1 1 1   69   10   20 o   6.5820   2.0470 -2.446000 4.095000 
1 1 1   69   10   21 f   6.1940   1.9830 -0.3579000 3.967000 
1 1 1   69   10   22 o   10.060   2.2050 -4.345000 4.411000 
1 1 1   69   10   23 o   7.1760   2.0470 3.678000 4.094000 
1 1 1   69   11    0 o   22.300   1.7590 -0.000000 0.000000 
1 1 1   69   11    1 o   16.700   1.7240 -0.2627000 3.447000 
1 1 1   69   11    2 o   26.420   1.1030 -1.932000 2.206000 
1 1 1   69   11    3 o   11.780   2.3140 -1.021000 4.628000 
1 1 1   69   11    4 o   33.100   0.9241 1.603000 1.848000 
1 1 1   69   11    5 o   24.080   1.2020 -2.071000 2.404000 
1 1 1   69   11    6 o   12.860   2.1280 -2.481000 4.256000 
1 1 1   69   11    7 o   24.230   1.2160 -0.5030000E-01 2.432000 
1 1 1   69   11    8 o   21.470   1.3940 0.4481000 2.787000 
1 1 1   69   11    9 o   15.850   1.9010 -3.962000 3.802000 
1 1 1   69   11   10 o   10.320   2.2630 -5.148000 4.526000 
1 1 1   69   11   11 o   15.150   2.0570 -6.927000 4.115000 
1 1 1   69   11   12 o   9.6040   2.3650 3.163000 4.730000 
1 1 1   69   11   13 o   11.500   2.4190 -0.6845000 4.839000 
1 1 1   69   11   14 o   13.880   2.2310 -0.7481000 4.462000 
1 1 1   69   11   15 o   10.400   2.4510 2.161000 4.902000 
1 1 1   69   11   16 o   22.060   1.3960 -0.9270000 2.792000 
1 1 1   69   11   17 o   10.910   2.1630 7.267000 4.326000 
1 1 1   69   11   18 o   12.130   2.2280 4.423000 4.456000 
1 1 1   69   11   19 o   9.8160   2.2560 4.387000 4.511000 
1 1 1   69   11   20 o   6.8980   2.0770 2.566000 4.153000 
1 1 1   69   11   21 o   7.1900   2.1500 -0.6221000 4.301000 
1 1 1   69   11   22 o   9.7990   2.2250 -3.028000 4.450000 
1 1 1   69   12    0 o   13.020   3.1890 -0.000000 0.000000 
1 1 1   69   12    1 o   25.000   1.2100 1.154000 2.420000 
1 1 1   69   12    2 f   38.490   0.8796 0.9060000 1.759000 
1 1 1   69   12    3 o   18.020   1.6370 -0.4930000 3.275000 
1 1 1   69   12    4 o   16.190   1.9090 -4.277000 3.818000 
1 1 1   69   12    5 o   18.620   1.6700 1.133000 3.339000 
1 1 1   69   12    6 o   8.9780   2.3630 -2.709000 4.725000 
1 1 1   69   12    7 o   7.9300   2.3200 -0.3755000 4.640000 
1 1 1   69   12    8 o   23.850   1.3210 -4.360000 2.643000 
1 1 1   69   12    9 o   12.200   2.3270 3.538000 4.654000 
1 1 1   69   12   10 o   19.100   1.6640 -1.917000 3.329000 
1 1 1   69   12   11 o   13.830   2.2710 -2.852000 4.542000 
1 1 1   69   12   12 o   16.550   2.0140 0.8497000 4.028000 
1 1 1   69   12   13 o   22.140   1.4850 5.087000 2.970000 
1 1 1   69   12   14 o   11.470   2.3580 -2.561000 4.717000 
1 1 1   69   12   15 o   22.080   1.4490 1.098000 2.899000 
1 1 1   69   12   16 o   6.3020   2.0470 -1.105000 4.094000 
1 1 1   69   12   17 o   9.1520   2.3750 -1.264000 4.750000 
1 1 1   69   12   18 o   6.7950   2.1180 -0.6590000 4.237000 
1 1 1   69   12   19 o   12.740   2.1070 5.096000 4.213000 
1 1 1   69   12   20 o   10.190   2.1720 2.985000 4.344000 
1 1 1   69   12   21 o   13.360   1.9920 1.891000 3.985000 
1 1 1   69   13    0 o   6.0420   2.8360 -0.000000 0.000000 
1 1 1   69   13    1 o   32.240   1.0600 -3.929000 2.120000 
1 1 1   69   13    2 o   16.750   1.9470 -5.319000 3.894000 
1 1 1   69   13    3 o   21.570   1.4810 -2.617000 2.962000 
1 1 1   69   13    4 o   8.0790   2.3450 1.967000 4.690000 
1 1 1   69   13    5 o   8.7750   2.4300 -1.037000 4.860000 
1 1 1   69   13    6 o   10.820   2.4670 -3.014000 4.934000 
1 1 1   69   13    7 o   9.9670   2.4730 -0.8188000 4.945000 
1 1 1   69   13    8 o   13.270   2.3060 -3.834000 4.611000 
1 1 1   69   13    9 o   15.230   2.1020 -8.927000 4.204000 
1 1 1   69   13   10 o   9.1630   2.4490 -0.8190000E-01 4.898000 
1 1 1   69   13   11 o   11.160   2.4870 -0.1414000 4.973000 
1 1 1   69   13   12 o   10.170   2.4800 -0.9310000 4.960000 
1 1 1   69   13   13 o   24.100   1.4170 -4.560000 2.834000 
1 1 1   69   13   14 o   12.940   2.2680 -5.518000 4.535000 
1 1 1   69   13   15 o   12.000   2.4520 1.289000 4.903000 
1 1 1   69   13   16 o   14.600   2.1100 9.043000 4.219000 
1 1 1   69   13   17 o   12.210   2.2200 -0.4738000 4.441000 
1 1 1   69   13   18 o   11.170   2.1500 3.265000 4.299000 
1 1 1   69   13   19 o   8.4710   2.1970 2.329000 4.395000 
1 1 1   69   13   20 o   7.2880   2.1200 -2.404000 4.240000 
1 1 1   69   14    0 o   10.920   3.5050 -0.000000 0.000000 
1 1 1   69   14    1 o   6.4890   2.1020 -0.6489000 4.205000 
1 1 1   69   14    2 o   17.310   1.9040 -0.8741000 3.808000 
1 1 1   69   14    3 o   28.650   1.1750 -1.712000 2.350000 
1 1 1   69   14    4 o   12.050   2.4010 -2.632000 4.802000 
1 1 1   69   14    5 o   7.9550   2.3430 -1.746000 4.686000 
1 1 1   69   14    6 o   19.800   1.6210 0.4376000 3.242000 
1 1 1   69   14    7 o   15.600   2.0980 2.719000 4.197000 
1 1 1   69   14    8 o   27.950   1.1780 -3.046000 2.356000 
1 1 1   69   14    9 o   21.480   1.5760 -4.942000 3.151000 
1 1 1   69   14   10 o   13.370   2.3680 -0.2365000 4.737000 
1 1 1   69   14   11 o   13.290   2.2380 7.460000 4.476000 
1 1 1   69   14   12 o   7.4420   2.2770 -1.099000 4.554000 
1 1 1   69   14   13 o   10.640   2.3050 6.889000 4.610000 
1 1 1   69   14   14 o   10.790   2.2950 -3.996000 4.589000 
1 1 1   69   14   15 o   6.7730   2.0860 -2.407000 4.173000 
1 1 1   69   14   16 o   7.0190   2.1310 -1.266000 4.262000 
1 1 1   69   14   17 o   14.340   1.8850 -1.312000 3.770000 
1 1 1   69   14   18 o   9.7410   2.2470 2.651000 4.493000 
1 1 1   69   15    0 o   5.9950   2.8380 -0.000000 0.000000 
1 1 1   69   15    1 o   10.520   1.9620 10.77000 3.923000 
1 1 1   69   15    2 o   11.560   2.4810 -3.536000 4.963000 
1 1 1   69   15    3 o   9.1760   2.4680 -2.411000 4.936000 
1 1 1   69   15    4 o   20.420   1.6850 -4.914000 3.371000 
1 1 1   69   15    5 o   8.5210   2.4350 -0.4175000 4.869000 
1 1 1   69   15    6 o   7.5170   2.2810 -1.512000 4.563000 
1 1 1   69   15    7 o   8.9790   2.3940 2.795000 4.787000 
1 1 1   69   15    8 o   14.700   2.2310 -1.453000 4.462000 
1 1 1   69   15    9 o   19.160   1.7840 -4.009000 3.567000 
1 1 1   69   15   10 o   15.450   2.1810 -5.592000 4.362000 
1 1 1   69   15   11 o   7.5750   2.2450 -1.933000 4.490000 
1 1 1   69   15   12 o   11.060   2.3170 2.446000 4.633000 
1 1 1   69   15   13 o   6.4870   2.0610 0.6269000 4.121000 
1 1 1   69   15   14 o   8.6700   2.3150 0.7668000 4.629000 
1 1 1   69   15   15 o   9.0910   2.1310 -5.814000 4.261000 
1 1 1   69   15   16 o   8.5910   2.1580 3.928000 4.316000 
1 1 1   69   15   17 o   8.3160   2.5140 -2.847000 5.028000 
1 1 1   69   16    0 o   6.3430   2.9520 -0.000000 0.000000 
1 1 1   69   16    1 o   20.270   1.6730 -0.7926000 3.345000 
1 1 1   69   16    2 o   9.1980   2.5160 -1.406000 5.033000 
1 1 1   69   16    3 o   6.0580   2.0350 -0.4619000 4.070000 
1 1 1   69   16    4 o   7.3830   2.2690 1.890000 4.537000 
1 1 1   69   16    5 o   7.6210   2.3250 1.324000 4.650000 
1 1 1   69   16    6 o   20.440   1.7010 -4.462000 3.402000 
1 1 1   69   16    7 o   12.250   2.4010 -2.519000 4.802000 
1 1 1   69   16    8 o   10.500   2.4190 -2.004000 4.838000 
1 1 1   69   16    9 o   15.470   1.9800 1.863000 3.960000 
1 1 1   69   16   10 o   8.6730   2.3070 -3.974000 4.613000 
1 1 1   69   16   11 o   7.6720   2.2530 -1.776000 4.506000 
1 1 1   69   16   12 o   9.0150   2.2370 -4.367000 4.474000 
1 1 1   69   16   13 o   10.220   2.2600 3.565000 4.520000 
1 1 1   69   16   14 o   7.3080   2.1420 -3.632000 4.285000 
1 1 1   69   16   15 o   13.330   2.7360 -9.811000 5.472000 
1 1 1   69   17    0 o   7.1160   3.1780 -0.000000 0.000000 
1 1 1   69   17    1 o   7.4350   2.2660 -2.804000 4.532000 
1 1 1   69   17    2 o   6.6790   2.1670 -0.4148000 4.333000 
1 1 1   69   17    3 o   9.0460   2.3980 -3.010000 4.796000 
1 1 1   69   17    4 o   10.460   2.4790 0.1691000 4.957000 
1 1 1   69   17    5 o   7.5380   2.2430 0.8620000 4.486000 
1 1 1   69   17    6 o   8.8710   2.3860 -2.270000 4.772000 
1 1 1   69   17    7 o   8.6700   2.3420 -0.2024000 4.683000 
1 1 1   69   17    8 o   16.350   1.8390 -4.494000 3.679000 
1 1 1   69   17    9 o   8.2960   2.3270 -0.9809000 4.653000 
1 1 1   69   17   10 o   9.1890   2.3090 2.891000 4.619000 
1 1 1   69   17   11 o   5.4560   1.8490 -0.1273000 3.698000 
1 1 1   69   17   12 o   6.6050   2.0980 0.3725000 4.195000 
1 1 1   69   18    0 o   5.1900   2.4950 -0.000000 0.000000 
1 1 1   69   18    1 o   6.7330   2.0660 -2.275000 4.131000 
1 1 1   69   18    2 o   7.8230   2.2440 0.5927000 4.488000 
1 1 1   69   18    3 o   8.5230   2.1870 -4.456000 4.374000 
1 1 1   69   18    4 o   7.8340   2.2770 0.2486000 4.554000 
1 1 1   69   18    5 o   10.080   2.3330 2.892000 4.666000 
1 1 1   69   18    6 o   10.640   2.3560 -0.3514000 4.712000 
1 1 1   69   18    7 o   7.3180   2.1940 -0.2910000 4.389000 
1 1 1   69   18    8 o   7.5260   2.2040 -1.787000 4.409000 
1 1 1   69   18    9 o   8.8470   2.4140 -1.001000 4.829000 
1 1 1   69   19    0 o   7.2980   3.0860 -0.000000 0.000000 
1 1 1   69   19    1 o   8.3810   2.2800 1.841000 4.560000 
1 1 1   69   19    2 o   7.8190   2.2690 -0.2233000 4.538000 
1 1 1   69   19    3 o   14.260   3.2290 -5.268000 6.458000 
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1 1 1   70    0    5 o   25.630   1.2790 -0.000000 0.000000 
1 1 1   70    0    6 o   48.470   1.0250 -0.000000 0.000000 
1 1 1   70    0    7 f   48.980   1.0070 -0.000000 0.000000 
1 1 1   70    0    8 f   22.720   1.4800 -0.000000 0.000000 
1 1 1   70    0    9 o   21.490   1.5870 -0.000000 0.000000 
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1 1 1   70    0   26 o   14.410   2.3170 -0.000000 0.000000 
1 1 1   70    0   27 o   19.660   1.5730 -0.000000 0.000000 
1 1 1   70    1    0 o   34.760   0.8230 -0.000000 0.000000 
1 1 1   70    1    1 o   73.760   0.6835 2.002000 1.367000 
1 1 1   70    1    2 o   52.840   0.5682 -0.2199000 1.136000 
1 1 1   70    1    3 o   9.2810   1.6780 -0.6841000 3.355000 
1 1 1   70    1    4 o   19.310   1.0340 1.244000 2.068000 
1 1 1   70    1    5 o   31.740   0.7233 3.635000 1.447000 
1 1 1   70    1    6 o   57.870   0.6839 -0.7833000 1.368000 
1 1 1   70    1    7 o   23.050   0.8736 -2.381000 1.747000 
1 1 1   70    1    8 o   20.470   0.9891 -1.325000 1.978000 
1 1 1   70    1    9 o   6.5320   1.8590 -0.2413000E-01 3.718000 
1 1 1   70    1   10 o   60.790   0.6951 -0.4429000 1.390000 
1 1 1   70    1   11 o   17.320   1.5200 5.359000 3.041000 
1 1 1   70    1   12 o   30.970   0.8551 0.9499000 1.710000 
1 1 1   70    1   13 o   8.7290   2.1680 -2.688000 4.337000 
1 1 1   70    1   14 o   17.130   1.5600 -1.545000 3.119000 
1 1 1   70    1   15 o   11.040   2.2340 -0.4413000 4.468000 
1 1 1   70    1   16 o   11.640   2.2470 -2.371000 4.494000 
1 1 1   70    1   17 o   18.920   1.4710 -2.388000 2.941000 
1 1 1   70    1   18 f   12.100   2.1620 -3.264000 4.325000 
1 1 1   70    1   19 o   11.670   2.2240 -1.463000 4.449000 
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1 1 1   70    1   21 o   7.2390   2.1540 -1.650000 4.308000 
1 1 1   70    1   22 o   9.3890   2.1750 -4.238000 4.350000 
1 1 1   70    1   23 o   8.5260   2.1290 -3.507000 4.257000 
1 1 1   70    1   24 o   12.120   2.0140 -5.239000 4.027000 
1 1 1   70    1   25 o   12.710   1.8900 5.120000 3.781000 
1 1 1   70    1   26 o   6.3050   1.9100 -1.835000 3.819000 
1 1 1   70    1   27 o   10.450   1.9670 2.951000 3.935000 
1 1 1   70    2    0 o   29.220   0.8778 -0.000000 0.000000 
1 1 1   70    2    1 o   17.960   0.9283 2.309000 1.857000 
1 1 1   70    2    2 o   9.6470   1.6780 1.164000 3.355000 
1 1 1   70    2    3 o   9.0830   1.6090 -5.150000 3.219000 
1 1 1   70    2    4 o   58.800   0.6019 3.930000 1.204000 
1 1 1   70    2    5 o   30.160   0.6252 2.093000 1.250000 
1 1 1   70    2    6 o   26.520   0.6775 -1.567000 1.355000 
1 1 1   70    2    7 o   27.190   0.6709 -0.5864000 1.342000 
1 1 1   70    2    8 o   55.150   0.5927 0.5645000 1.185000 
1 1 1   70    2    9 o   14.540   1.3090 4.855000 2.619000 
1 1 1   70    2   10 o   56.790   0.6023 1.180000 1.205000 
1 1 1   70    2   11 o   14.440   1.3000 1.105000 2.600000 
1 1 1   70    2   12 o   38.330   0.6123 1.604000 1.225000 
1 1 1   70    2   13 o   27.500   0.7442 -0.4672000 1.488000 
1 1 1   70    2   14 f   17.170   1.1780 0.2356000 2.357000 
1 1 1   70    2   15 o   24.990   0.8411 1.386000 1.682000 
1 1 1   70    2   16 o   13.580   1.7500 -3.092000 3.501000 
1 1 1   70    2   17 o   24.540   1.0520 4.727000 2.104000 
1 1 1   70    2   18 o   22.250   1.1120 1.018000 2.224000 
1 1 1   70    2   19 o   10.400   2.1620 -1.428000 4.324000 
1 1 1   70    2   20 o   12.420   1.8500 7.278000 3.699000 
1 1 1   70    2   21 o   22.480   1.1370 4.641000 2.273000 
1 1 1   70    2   22 o   32.460   0.9086 -1.930000 1.817000 
1 1 1   70    2   23 o   20.770   1.2870 0.2418000 2.575000 
1 1 1   70    2   24 o   14.220   1.8930 -6.898000 3.785000 
1 1 1   70    2   25 o   9.5520   2.1050 4.118000 4.210000 
1 1 1   70    2   26 o   14.100   1.7190 -0.1113000 3.438000 
1 1 1   70    2   27 o   7.1390   1.9270 -3.926000 3.854000 
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1 1 1   70    3    1 o   12.700   1.6090 -9.461000 3.218000 
1 1 1   70    3    2 o   30.890   0.7396 0.4634000 1.479000 
1 1 1   70    3    3 o   31.330   0.7260 -1.445000 1.452000 
1 1 1   70    3    4 o   29.230   0.7648 -3.561000 1.530000 
1 1 1   70    3    5 o   28.370   0.7801 4.069000 1.560000 
1 1 1   70    3    6 o   25.960   0.8434 -1.790000 1.687000 
1 1 1   70    3    7 o   29.670   0.7517 1.016000 1.503000 
1 1 1   70    3    8 o   20.840   0.9553 2.914000 1.911000 
1 1 1   70    3    9 o   24.600   0.8069 0.5647000 1.614000 
1 1 1   70    3   10 o   30.570   0.7121 -1.682000 1.424000 
1 1 1   70    3   11 o   12.440   1.6350 -1.143000 3.269000 
1 1 1   70    3   12 o   19.870   1.0200 -3.275000 2.041000 
1 1 1   70    3   13 o   12.610   1.7190 1.846000 3.439000 
1 1 1   70    3   14 o   17.290   1.1510 -0.5285000 2.301000 
1 1 1   70    3   15 o   28.300   0.7687 1.856000 1.537000 
1 1 1   70    3   16 o   15.170   1.4310 2.197000 2.862000 
1 1 1   70    3   17 o   26.600   0.8550 0.7119000 1.710000 
1 1 1   70    3   18 o   30.060   0.7719 3.700000 1.544000 
1 1 1   70    3   19 o   18.070   1.2040 -0.1022000 2.409000 
1 1 1   70    3   20 o   21.170   1.0430 -0.1485000 2.086000 
1 1 1   70    3   21 o   12.970   1.7300 7.700000 3.460000 
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1 1 1   70    3   23 o   26.430   0.9026 1.229000 1.805000 
1 1 1   70    3   24 o   11.120   1.8010 -7.386000 3.603000 
1 1 1   70    3   25 o   14.020   1.6720 5.880000 3.343000 
1 1 1   70    3   26 o   8.6210   1.8970 -5.358000 3.793000 
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1 1 1   70    4    1 f   27.850   0.7855 -1.022000 1.571000 
1 1 1   70    4    2 o   50.340   0.6939 -5.934000 1.388000 
1 1 1   70    4    3 o   23.640   0.9330 2.474000 1.866000 
1 1 1   70    4    4 o   61.090   0.7484 -1.482000 1.497000 
1 1 1   70    4    5 o   40.300   0.6872 -2.846000 1.374000 
1 1 1   70    4    6 o   19.620   1.1040 4.772000 2.208000 
1 1 1   70    4    7 o   18.950   1.1350 -2.162000 2.270000 
1 1 1   70    4    8 o   45.770   0.6888 -0.8745000E-01 1.378000 
1 1 1   70    4    9 o   52.390   0.7058 1.017000 1.412000 
1 1 1   70    4   10 o   33.820   0.7392 0.4674000 1.478000 
1 1 1   70    4   11 o   32.620   0.7637 1.229000 1.527000 
1 1 1   70    4   12 o   7.5610   1.9260 -4.624000 3.853000 
1 1 1   70    4   13 o   14.100   1.6810 2.023000 3.362000 
1 1 1   70    4   14 o   35.050   0.7850 -1.258000 1.570000 
1 1 1   70    4   15 o   21.760   1.1370 -2.250000 2.274000 
1 1 1   70    4   16 o   9.1090   2.1560 2.516000 4.312000 
1 1 1   70    4   17 o   17.220   1.5060 -4.015000 3.012000 
1 1 1   70    4   18 o   25.560   0.9505 -0.2602000 1.901000 
1 1 1   70    4   19 o   13.780   1.7890 0.8135000E-01 3.577000 
1 1 1   70    4   20 o   20.840   1.1780 -3.112000 2.356000 
1 1 1   70    4   21 o   19.440   1.2420 1.857000 2.483000 
1 1 1   70    4   22 o   6.1870   1.9310 -1.621000 3.862000 
1 1 1   70    4   23 o   11.620   1.9340 1.601000 3.869000 
1 1 1   70    4   24 o   6.3850   1.8690 -0.1914000 3.738000 
1 1 1   70    4   25 o   15.510   1.3120 0.7232000E-01 2.623000 
1 1 1   70    4   26 o   9.2130   1.8910 -0.8927000 3.781000 
1 1 1   70    5    0 o   5.3410   2.4540 -0.000000 0.000000 
1 1 1   70    5    1 o   14.650   1.5610 -6.401000 3.121000 
1 1 1   70    5    2 o   56.550   0.7291 -0.2722000 1.458000 
1 1 1   70    5    3 f   15.020   1.5770 7.325000 3.154000 
1 1 1   70    5    4 o   70.450   0.8216 -0.2410000 1.643000 
1 1 1   70    5    5 f   46.480   0.7008 -0.6553000 1.402000 
1 1 1   70    5    6 o   25.060   0.9126 -1.483000 1.825000 
1 1 1   70    5    7 o   59.870   0.7510 -1.960000 1.502000 
1 1 1   70    5    8 o   26.390   0.8944 1.498000 1.789000 
1 1 1   70    5    9 o   30.210   0.8143 -0.2536000 1.629000 
1 1 1   70    5   10 f   15.550   1.4790 0.1405000 2.958000 
1 1 1   70    5   11 o   20.990   1.1090 -0.5919000 2.218000 
1 1 1   70    5   12 o   19.920   1.2110 2.033000 2.423000 
1 1 1   70    5   13 o   7.0320   2.0570 0.6482000 4.114000 
1 1 1   70    5   14 o   41.420   0.7625 2.912000 1.525000 
1 1 1   70    5   15 o   18.910   1.3600 0.9006000 2.720000 
1 1 1   70    5   16 o   24.250   1.0860 4.595000 2.172000 
1 1 1   70    5   17 o   7.1690   2.0800 -2.383000 4.161000 
1 1 1   70    5   18 o   9.0180   2.1510 4.023000 4.302000 
1 1 1   70    5   19 o   23.880   1.1320 0.8633000 2.265000 
1 1 1   70    5   20 o   18.520   1.4420 0.9549000 2.885000 
1 1 1   70    5   21 o   7.1660   2.1080 0.8795000 4.216000 
1 1 1   70    5   22 o   12.920   1.9840 2.338000 3.968000 
1 1 1   70    5   23 o   9.9480   2.0310 5.757000 4.061000 
1 1 1   70    5   24 o   6.8300   1.9890 -0.5250000 3.977000 
1 1 1   70    5   25 o   7.3170   2.0200 -2.148000 4.040000 
1 1 1   70    5   26 o   8.0920   1.9610 2.249000 3.921000 
1 1 1   70    6    0 o   32.010   1.0740 -0.000000 0.000000 
1 1 1   70    6    1 o   22.130   1.0160 -0.2164000 2.031000 
1 1 1   70    6    2 o   13.100   1.6680 0.2611000 3.337000 
1 1 1   70    6    3 o   29.490   0.8174 0.1276000 1.635000 
1 1 1   70    6    4 o   30.670   0.7966 -1.822000 1.593000 
1 1 1   70    6    5 o   23.500   0.9975 1.820000 1.995000 
1 1 1   70    6    6 o   15.650   1.4560 -0.7243000 2.912000 
1 1 1   70    6    7 o   17.010   1.3580 1.324000 2.715000 
1 1 1   70    6    8 o   67.820   0.8148 -1.339000 1.630000 
1 1 1   70    6    9 o   24.520   0.9781 -0.1221000 1.956000 
1 1 1   70    6   10 o   31.120   0.8168 0.7575000 1.634000 
1 1 1   70    6   11 o   12.260   1.9090 -4.168000 3.819000 
1 1 1   70    6   13 o   18.750   1.3760 2.391000 2.751000 
1 1 1   70    6   14 o   16.410   1.5670 1.743000 3.134000 
1 1 1   70    6   15 o   43.700   0.7707 2.272000 1.541000 
1 1 1   70    6   16 o   12.060   2.1620 -0.6344000 4.325000 
1 1 1   70    6   17 o   11.130   2.1500 -5.702000 4.301000 
1 1 1   70    6   18 o   14.770   1.8550 -1.603000 3.709000 
1 1 1   70    6   19 o   11.590   2.2200 -2.033000 4.440000 
1 1 1   70    6   20 o   17.560   1.5880 2.784000 3.176000 
1 1 1   70    6   21 o   14.230   1.8730 1.754000 3.746000 
1 1 1   70    6   22 o   7.2030   2.0400 -3.903000 4.079000 
1 1 1   70    6   23 o   12.760   2.0300 -3.630000 4.060000 
1 1 1   70    6   24 o   8.7870   2.1530 3.696000 4.307000 
1 1 1   70    6   25 o   11.620   2.0900 -0.9035000 4.179000 
1 1 1   70    7    0 o   19.500   1.6560 -0.000000 0.000000 
1 1 1   70    7    1 o   15.220   1.5660 -3.145000 3.132000 
1 1 1   70    7    2 o   8.9540   2.0800 1.650000 4.160000 
1 1 1   70    7    3 o   11.500   1.8900 3.119000 3.779000 
1 1 1   70    7    4 o   26.240   0.9165 0.1647000 1.833000 
1 1 1   70    7    5 o   23.690   0.9888 -1.850000 1.978000 
1 1 1   70    7    6 o   14.940   1.6070 3.645000 3.213000 
1 1 1   70    7    7 o   21.650   1.0930 3.209000 2.186000 
1 1 1   70    7    8 o   31.740   0.8358 -0.7937000E-01 1.672000 
1 1 1   70    7    9 o   12.970   1.8720 -1.293000 3.745000 
1 1 1   70    7   10 o   6.3370   1.9620 0.3447000 3.924000 
1 1 1   70    7   11 o   8.1000   2.0640 4.143000 4.128000 
1 1 1   70    7   12 o   7.5240   2.1190 -0.2075000E-01 4.237000 
1 1 1   70    7   13 o   14.920   1.7590 -1.269000 3.518000 
1 1 1   70    7   14 o   21.860   1.2220 -2.813000 2.444000 
1 1 1   70    7   15 o   22.080   1.2220 -0.9978000 2.444000 
1 1 1   70    7   16 o   21.460   1.2750 1.591000 2.549000 
1 1 1   70    7   17 o   17.960   1.5530 2.051000 3.107000 
1 1 1   70    7   18 o   20.500   1.3780 4.105000 2.757000 
1 1 1   70    7   19 o   14.150   1.9770 2.185000 3.955000 
1 1 1   70    7   20 o   22.300   1.2650 4.241000 2.530000 
1 1 1   70    7   21 o   13.940   1.8980 -3.954000 3.795000 
1 1 1   70    7   22 o   11.440   2.1650 -0.3847000 4.330000 
1 1 1   70    7   23 o   9.8580   2.1550 2.976000 4.309000 
1 1 1   70    7   24 o   14.060   1.8450 -2.094000 3.690000 
1 1 1   70    7   25 o   11.590   2.1090 2.731000 4.219000 
1 1 1   70    8    0 o   10.840   2.9170 -0.000000 0.000000 
1 1 1   70    8    1 o   43.690   0.7299 1.043000 1.460000 
1 1 1   70    8    2 o   15.590   1.6130 -5.277000 3.226000 
1 1 1   70    8    3 o   39.610   0.7525 0.5163000 1.505000 
1 1 1   70    8    4 o   11.230   2.0010 -0.9971000 4.002000 
1 1 1   70    8    5 o   38.760   0.7481 3.327000 1.496000 
1 1 1   70    8    6 o   9.5090   1.9630 5.507000 3.926000 
1 1 1   70    8    7 o   18.310   1.2970 0.5293000 2.593000 
1 1 1   70    8    8 o   18.230   1.4250 5.004000 2.851000 
1 1 1   70    8    9 o   17.750   1.4320 -3.054000 2.865000 
1 1 1   70    8   10 o   33.660   0.8418 -1.215000 1.684000 
1 1 1   70    8   11 o   32.720   0.8843 -4.024000 1.769000 
1 1 1   70    8   12 o   16.950   1.7390 -8.897000 3.477000 
1 1 1   70    8   13 o   20.210   1.9420      ?      ? 
1 1 1   70    8   14 o   16.510   1.8160 -7.616000 3.632000 
1 1 1   70    8   15 o   10.600   2.3500 -0.1466000 4.701000 
1 1 1   70    8   16 o   15.510   1.8330 -1.759000 3.667000 
1 1 1   70    8   17 o   13.170   2.0250 7.751000 4.051000 
1 1 1   70    8   18 o   8.7690   2.3080 1.660000 4.616000 
1 1 1   70    8   19 o   14.370   1.9370 -3.407000 3.873000 
1 1 1   70    8   20 o   11.890   2.0750 6.262000 4.149000 
1 1 1   70    8   21 o   8.6190   2.1390 4.392000 4.278000 
1 1 1   70    8   22 f   8.6740   2.2430 -2.290000 4.486000 
1 1 1   70    8   23 o   14.330   1.8610 -2.751000 3.722000 
1 1 1   70    8   24 o   15.210   1.7450 0.2253000 3.491000 
1 1 1   70    9    0 f   34.760   1.1540 -0.000000 0.000000 
1 1 1   70    9    1 o   18.080   1.4200 -1.543000 2.841000 
1 1 1   70    9    2 o   25.630   1.0310 0.8292000 2.062000 
1 1 1   70    9    3 o   42.030   0.7813 -0.5351000 1.563000 
1 1 1   70    9    4 o   24.990   1.0470 -1.663000 2.094000 
1 1 1   70    9    5 o   20.320   1.2490 3.015000 2.497000 
1 1 1   70    9    6 o   12.740   1.9770 2.430000 3.954000 
1 1 1   70    9    7 o   22.940   1.1320 0.3525000 2.265000 
1 1 1   70    9    8 o   17.960   1.4820 -3.467000 2.964000 
1 1 1   70    9    9 o   11.200   2.0330 -6.508000 4.066000 
1 1 1   70    9   10 o   11.390   2.0750 5.446000 4.150000 
1 1 1   70    9   11 o   6.0130   1.9460 0.1334000 3.891000 
1 1 1   70    9   12 o   21.340   1.3220 -3.899000 2.643000 
1 1 1   70    9   13 o   15.100   1.9170 -1.785000 3.834000 
1 1 1   70    9   14 o   8.8870   2.3150 1.779000 4.630000 
1 1 1   70    9   15 o   29.630   1.0360 -2.979000 2.073000 
1 1 1   70    9   16 o   20.230   1.4660 0.7562000 2.931000 
1 1 1   70    9   17 f   19.580   1.5110 -1.457000 3.023000 
1 1 1   70    9   18 o   14.840   1.9420 3.760000 3.884000 
1 1 1   70    9   19 o   6.0440   1.9570 -1.548000 3.915000 
1 1 1   70    9   20 o   8.6970   2.2790 2.162000 4.558000 
1 1 1   70    9   21 o   14.040   1.9760 0.3426000 3.952000 
1 1 1   70    9   22 o   5.6030   1.8460 -1.095000 3.693000 
1 1 1   70    9   23 o   8.9150   2.1930 -3.727000 4.385000 
1 1 1   70    9   24 o   8.9130   3.6770      ?      ? 
1 1 1   70   10    0 o   11.010   3.1790 -0.000000 0.000000 
1 1 1   70   10    1 o   14.430   1.8850 -2.377000 3.769000 
1 1 1   70   10    2 o   41.340   0.8129 -2.158000 1.626000 
1 1 1   70   10    3 o   11.540   2.1270 4.952000 4.253000 
1 1 1   70   10    4 o   29.060   1.0060 -2.190000 2.011000 
1 1 1   70   10    5 o   28.160   0.9885 -3.102000 1.977000 
1 1 1   70   10    6 o   28.540   0.9991 2.527000 1.998000 
1 1 1   70   10    7 f   7.9220   2.2270 2.060000 4.454000 
1 1 1   70   10    8 o   13.140   2.0440 -5.701000 4.088000 
1 1 1   70   10    9 o   19.660   1.5000 7.566000 3.001000 
1 1 1   70   10   10 o   9.2240   2.2560 -3.366000 4.512000 
1 1 1   70   10   11 o   14.750   1.9940 5.824000 3.989000 
1 1 1   70   10   12 o   17.790   1.6380 1.037000 3.275000 
1 1 1   70   10   13 o   7.6040   2.1910 -3.316000 4.382000 
1 1 1   70   10   14 o   13.660   2.1880 1.981000 4.377000 
1 1 1   70   10   15 o   8.4970   2.3440 0.7458000 4.689000 
1 1 1   70   10   16 o   15.080   1.9870 1.443000 3.973000 
1 1 1   70   10   17 o   8.3370   2.2650 3.074000 4.530000 
1 1 1   70   10   18 o   11.970   2.2800 0.8043000 4.560000 
1 1 1   70   10   19 o   11.800   2.2410 -3.050000 4.481000 
1 1 1   70   10   20 o   5.8880   1.9090 1.863000 3.818000 
1 1 1   70   10   21 o   9.7750   2.1130 5.559000 4.227000 
1 1 1   70   10   22 o   8.0160   2.2330 0.6953000E-01 4.467000 
1 1 1   70   10   23 o   9.0380   2.3190 0.1484000E-01 4.638000 
1 1 1   70   11    0 o   15.000   2.7380 -0.000000 0.000000 
1 1 1   70   11    1 o   20.130   1.9350      ?      ? 
1 1 1   70   11    2 o   14.540   1.9210 1.481000 3.842000 
1 1 1   70   11    3 o   28.260   1.0520 4.981000 2.104000 
1 1 1   70   11    4 o   25.030   1.1630 -2.146000 2.326000 
1 1 1   70   11    5 o   20.510   1.4120 0.6287000E-01 2.823000 
1 1 1   70   11    6 o   20.190   1.4090 -0.9238000 2.817000 
1 1 1   70   11    7 o   13.590   2.1420 2.110000 4.284000 
1 1 1   70   11    8 o   8.6490   2.2810 3.740000 4.562000 
1 1 1   70   11    9 o   14.460   2.0210 4.762000 4.043000 
1 1 1   70   11   10 f   6.5470   2.0450 3.663000 4.090000 
1 1 1   70   11   11 o   17.310   1.8370 2.509000 3.674000 
1 1 1   70   11   12 o   12.740   2.3470 -2.069000 4.694000 
1 1 1   70   11   13 o   12.620   2.3470 1.002000 4.695000 
1 1 1   70   11   14 o   9.1130   2.3550 -2.421000 4.709000 
1 1 1   70   11   15 o   10.540   2.4540 -1.063000 4.909000 
1 1 1   70   11   16 o   15.400   2.0480 -3.499000 4.096000 
1 1 1   70   11   17 o   8.8260   2.3570 -0.8055000 4.714000 
1 1 1   70   11   18 o   12.110   2.3260 -0.2746000E-01 4.652000 
1 1 1   70   11   19 o   5.8510   1.9190 -0.7441000 3.838000 
1 1 1   70   11   20 o   9.9110   2.3110 1.948000 4.623000 
1 1 1   70   11   21 o   8.9970   2.2030 -3.756000 4.406000 
1 1 1   70   11   22 o   8.6940   3.2680      ?      ? 
1 1 1   70   12    0 o   28.090   1.5790 -0.000000 0.000000 
1 1 1   70   12    1 o   9.8960   2.3910 3.572000 4.782000 
1 1 1   70   12    2 o   13.920   2.1130 -6.783000 4.226000 
1 1 1   70   12    3 o   12.980   2.3090 1.804000 4.618000 
1 1 1   70   12    4 o   35.090   0.9759 -0.9890000E-01 1.952000 
1 1 1   70   12    5 o   19.010   1.7480 6.903000 3.496000 
1 1 1   70   12    6 o   14.440   2.1600 1.200000 4.319000 
1 1 1   70   12    7 o   13.560   2.2210 -2.570000 4.443000 
1 1 1   70   12    8 o   18.070   1.7180 3.852000 3.436000 
1 1 1   70   12    9 o   14.690   2.1950 0.1509000 4.389000 
1 1 1   70   12   10 o   11.130   2.4640 0.4741000 4.928000 
1 1 1   70   12   11 o   21.260   2.1560      ?      ? 
1 1 1   70   12   12 o   12.890   2.3480 -5.539000 4.696000 
1 1 1   70   12   13 o   16.980   1.9010 -1.859000 3.803000 
1 1 1   70   12   14 o   9.3950   2.3520 -3.726000 4.703000 
1 1 1   70   12   15 o   21.010   1.5110 -2.050000 3.022000 
1 1 1   70   12   16 o   7.6530   2.2400 4.267000 4.480000 
1 1 1   70   12   17 f   7.6370   2.2770 -0.4060000 4.554000 
1 1 1   70   12   18 o   10.140   2.2340 -4.480000 4.467000 
1 1 1   70   12   19 o   9.1290   2.2550 -2.663000 4.510000 
1 1 1   70   12   20 o   12.460   2.0180 -1.692000 4.036000 
1 1 1   70   12   21 o   9.0270   2.4900 -5.889000 4.980000 
1 1 1   70   13    0 o   26.300   1.7610 -0.000000 0.000000 
1 1 1   70   13    1 o   11.210   2.4380 -1.737000 4.877000 
1 1 1   70   13    2 o   9.1160   2.2930 -5.177000 4.586000 
1 1 1   70   13    3 o   9.8030   2.2330 6.985000 4.466000 
1 1 1   70   13    4 o   6.3240   2.0750 -0.7515000 4.150000 
1 1 1   70   13    5 o   10.440   2.4520 3.343000 4.904000 
1 1 1   70   13    6 o   20.570   1.5580 -1.897000 3.115000 
1 1 1   70   13    7 o   9.3060   2.3850 3.955000 4.770000 
1 1 1   70   13    8 o   17.330   1.9090 -2.009000 3.819000 
1 1 1   70   13    9 o   9.2840   2.3280 -4.683000 4.656000 
1 1 1   70   13   10 o   9.2330   2.4390 1.403000 4.878000 
1 1 1   70   13   11 o   12.970   2.1460 -8.591000 4.293000 
1 1 1   70   13   12 o   8.3460   2.3620 -1.806000 4.723000 
1 1 1   70   13   13 o   11.240   2.4880 0.3817000 4.977000 
1 1 1   70   13   14 o   8.2290   2.3390 2.364000 4.678000 
1 1 1   70   13   15 o   7.3410   2.2490 1.274000 4.498000 
1 1 1   70   13   16 o   9.4640   2.3930 2.576000 4.787000 
1 1 1   70   13   17 o   7.3470   2.1710 -0.6175000 4.342000 
1 1 1   70   13   18 o   9.3520   2.2470 1.371000 4.494000 
1 1 1   70   13   19 o   9.2400   2.0310 -6.533000 4.061000 
1 1 1   70   14    0 o   9.0690   3.4860 -0.000000 0.000000 
1 1 1   70   14    1 o   28.410   1.2120 -1.628000 2.424000 
1 1 1   70   14    2 o   7.6790   2.2320 -4.345000 4.464000 
1 1 1   70   14    3 o   22.990   1.4740 1.172000 2.948000 
1 1 1   70   14    4 o   6.6610   2.1510 -0.5999000 4.301000 
1 1 1   70   14    5 o   20.490   1.5940 2.203000 3.188000 
1 1 1   70   14    6 o   13.710   2.3020 -1.765000 4.605000 
1 1 1   70   14    7 f   9.2030   2.2180 -5.629000 4.436000 
1 1 1   70   14    8 o   14.550   2.1650 4.823000 4.330000 
1 1 1   70   14    9 o   21.620   1.5270 0.6229000 3.054000 
1 1 1   70   14   10 o   10.550   2.3780 -4.207000 4.755000 
1 1 1   70   14   11 o   9.5270   2.4640 2.491000 4.928000 
1 1 1   70   14   12 o   6.5030   2.9750      ?      ? 
1 1 1   70   14   13 o   10.830   2.4960 -0.7684000 4.992000 
1 1 1   70   14   14 o   12.300   2.0730 -7.793000 4.147000 
1 1 1   70   14   15 o   8.1200   2.2550 0.1148000 4.510000 
1 1 1   70   14   16 o   7.0650   2.1060 -2.371000 4.212000 
1 1 1   70   14   17 o   12.460   2.1540 -1.214000 4.308000 
1 1 1   70   14   18 o   8.2740   2.2310 0.2128000 4.463000 
1 1 1   70   15    0 o   14.640   3.0760 -0.000000 0.000000 
1 1 1   70   15    1 o   9.9870   2.3150 -5.437000 4.630000 
1 1 1   70   15    2 o   15.230   2.2500 3.396000 4.500000 
1 1 1   70   15    3 o   11.340   2.5120 3.472000 5.023000 
1 1 1   70   15    4 o   7.8920   2.3380 0.9708000 4.676000 
1 1 1   70   15    5 o   10.890   2.4020 5.853000 4.805000 
1 1 1   70   15    6 o   12.010   2.3300 5.530000 4.661000 
1 1 1   70   15    7 o   14.350   2.3210 2.999000 4.642000 
1 1 1   70   15    8 o   7.7220   2.3240 -0.5667000 4.647000 
1 1 1   70   15    9 o   12.270   2.2530 -6.902000 4.506000 
1 1 1   70   15   10 o   12.770   2.4460 -2.203000 4.892000 
1 1 1   70   15   11 o   8.7840   2.3240 2.424000 4.648000 
1 1 1   70   15   12 o   11.340   2.3070 2.167000 4.614000 
1 1 1   70   15   13 f   11.260   2.2890 -2.840000 4.578000 
1 1 1   70   15   14 o   8.0090   2.1060 4.585000 4.212000 
1 1 1   70   15   15 o   9.7760   2.3050 1.587000 4.610000 
1 1 1   70   15   16 o   10.610   2.3110 -1.618000 4.622000 
1 1 1   70   16    0 o   5.9500   2.8190 -0.000000 0.000000 
1 1 1   70   16    1 f   24.760   1.3760 -0.9323000 2.751000 
1 1 1   70   16    2 o   9.2830   2.4740 3.209000 4.948000 
1 1 1   70   16    3 o   6.5480   2.1310 -0.4157000 4.261000 
1 1 1   70   16    4 o   6.8020   2.1420 2.813000 4.284000 
1 1 1   70   16    5 o   7.1480   2.1940 -3.410000 4.388000 
1 1 1   70   16    6 o   8.4850   2.4410 -0.4356000 4.882000 
1 1 1   70   16    7 o   14.780   2.2690 -4.333000 4.537000 
1 1 1   70   16    8 o   7.4330   2.1890 2.330000 4.379000 
1 1 1   70   16    9 o   9.3280   2.3200 3.051000 4.639000 
1 1 1   70   16   10 o   6.3890   2.0530 -1.084000 4.107000 
1 1 1   70   16   11 o   7.8740   2.2460 2.217000 4.493000 
1 1 1   70   16   12 o   10.190   2.3030 -3.842000 4.605000 
1 1 1   70   16   13 o   8.8130   2.2730 -4.145000 4.546000 
1 1 1   70   16   14 o   8.0150   2.2830 -0.9531000 4.566000 
1 1 1   70   17    0 o   10.500   3.5470 -0.000000 0.000000 
1 1 1   70   17    1 o   8.3250   2.4060 1.902000 4.811000 
1 1 1   70   17    2 o  10.0000   2.3360 6.661000 4.672000 
1 1 1   70   17    3 o   10.600   2.5420 1.747000 5.084000 
1 1 1   70   17    4 o   14.830   2.1130 4.875000 4.226000 
1 1 1   70   17    5 o   8.8350   2.3130 -4.597000 4.626000 
1 1 1   70   17    6 o   7.5360   2.2350 0.1004000 4.471000 
1 1 1   70   17    7 f   8.7900   2.3010 -3.514000 4.602000 
1 1 1   70   17    8 o   8.6430   2.3260 1.219000 4.652000 
1 1 1   70   17    9 o   8.9290   2.2830 3.147000 4.566000 
1 1 1   70   17   10 o   11.390   2.1920 6.066000 4.383000 
1 1 1   70   17   11 o   8.4540   2.2910 2.432000 4.582000 
1 1 1   70   17   12 f   15.160   4.9550      ?      ? 
1 1 1   70   18    0 o   8.3650   3.2130 -0.000000 0.000000 
1 1 1   70   18    1 f   9.4230   2.1870 5.175000 4.374000 
1 1 1   70   18    2 o   8.8980   2.2710 2.993000 4.543000 
1 1 1   70   18    3 o   12.310   2.1490 -7.059000 4.299000 
1 1 1   70   18    4 o   8.6600   2.3290 -2.653000 4.658000 
1 1 1   70   18    5 o   8.8360   2.3550 -1.439000 4.709000 
1 1 1   70   18    6 o   10.170   2.2630 3.499000 4.527000 
1 1 1   70   18    7 o   6.6850   2.0410 2.146000 4.082000 
1 1 1   70   18    8 o   8.3280   2.3390 -0.5139000E-01 4.678000 
1 1 1   71    0    1 o   20.360   1.5650 -0.000000 0.000000 
1 1 1   71    0    2 o   74.690   1.2120 -0.000000 0.000000 
1 1 1   71    0    3 o   8.5140   3.0280 -0.000000 0.000000 
1 1 1   71    0    4 o   20.160   1.5970 -0.000000 0.000000 
1 1 1   71    0    5 o   18.180   1.8580 -0.000000 0.000000 
1 1 1   71    0    6 o   63.750   1.1230 -0.000000 0.000000 
1 1 1   71    0    7 o   26.690   1.3170 -0.000000 0.000000 
1 1 1   71    0    8 o   41.940   1.0420 -0.000000 0.000000 
1 1 1   71    0    9 o   37.450   1.0900 -0.000000 0.000000 
1 1 1   71    0   10 o   22.800   1.5230 -0.000000 0.000000 
1 1 1   71    0   11 o   51.050   1.0660 -0.000000 0.000000 
1 1 1   71    0   12 o   12.890   2.8800 -0.000000 0.000000 
1 1 1   71    0   13 o   31.890   1.2250 -0.000000 0.000000 
1 1 1   71    0   14 o   27.570   1.4530 -0.000000 0.000000 
1 1 1   71    0   15 o   18.850   2.0190 -0.000000 0.000000 
1 1 1   71    0   16 o   12.530   3.1410 -0.000000 0.000000 
1 1 1   71    0   17 o   15.690   2.6640 -0.000000 0.000000 
1 1 1   71    0   18 o   27.340   1.5580 -0.000000 0.000000 
1 1 1   71    0   19 o   9.1680   3.2670 -0.000000 0.000000 
1 1 1   71    0   20 o   39.260   1.1730 -0.000000 0.000000 
1 1 1   71    0   21 o   17.080   2.2040 -0.000000 0.000000 
1 1 1   71    0   22 o   7.3780   3.0120 -0.000000 0.000000 
1 1 1   71    0   23 o   24.550   1.5450 -0.000000 0.000000 
1 1 1   71    0   24 o   7.1970   2.9730 -0.000000 0.000000 
1 1 1   71    0   25 f   9.8140   3.1110 -0.000000 0.000000 
1 1 1   71    0   26 o   8.8280   3.0820 -0.000000 0.000000 
1 1 1   71    1    0 o   4.4590   2.0800 -0.000000 0.000000 
1 1 1   71    1    1 o   15.360   1.1360 4.436000 2.271000 
1 1 1   71    1    2 o   31.240   0.6219 -1.358000 1.244000 
1 1 1   71    1    3 o   28.660   0.7541 0.5100000 1.508000 
1 1 1   71    1    4 o   37.120   0.6686 2.615000 1.337000 
1 1 1   71    1    5 o   68.820   0.7490 -3.538000 1.498000 
1 1 1   71    1    6 o   48.420   0.6539 -1.563000 1.308000 
1 1 1   71    1    7 o   25.390   0.8263 -4.537000 1.653000 
1 1 1   71    1    8 o   28.290   0.8078 1.684000 1.616000 
1 1 1   71    1    9 o   36.760   0.6842 1.675000 1.368000 
1 1 1   71    1   10 o   19.900   1.2340 0.9789000E-01 2.469000 
1 1 1   71    1   11 o   41.150   0.7578 -0.6726000 1.516000 
1 1 1   71    1   12 o   24.500   1.0750 3.696000 2.150000 
1 1 1   71    1   13 o   22.740   1.1610 3.609000 2.322000 
1 1 1   71    1   14 f   6.0500   1.9020 -2.416000 3.803000 
1 1 1   71    1   15 f   18.390   1.5180 -2.680000 3.036000 
1 1 1   71    1   16 o   40.070   0.8482 3.918000 1.696000 
1 1 1   71    1   17 o   9.3430   2.3390 1.079000 4.678000 
1 1 1   71    1   18 o   27.670   1.1010 -5.142000 2.203000 
1 1 1   71    1   19 o   8.4240   2.1480 4.671000 4.295000 
1 1 1   71    1   20 o   18.470   1.5520 2.116000 3.104000 
1 1 1   71    1   21 o   6.3560   2.0130 -0.5137000 4.026000 
1 1 1   71    1   22 f   9.9250   2.2820 -0.6330000 4.563000 
1 1 1   71    1   23 o   11.880   2.0980 4.061000 4.196000 
1 1 1   71    1   24 o   7.0070   2.0540 -1.955000 4.109000 
1 1 1   71    1   25 o   8.7120   2.1130 2.713000 4.226000 
1 1 1   71    1   26 f   10.250   2.0500 3.126000 4.099000 
1 1 1   71    2    0 o   52.580   0.8105 -0.000000 0.000000 
1 1 1   71    2    1 o   51.300   0.5729 -1.907000 1.146000 
1 1 1   71    2    2 o   45.540   0.5674 -1.196000 1.135000 
1 1 1   71    2    3 o   38.120   0.5755 4.809000 1.151000 
1 1 1   71    2    4 o   11.480   1.5370 -1.742000 3.074000 
1 1 1   71    2    5 o   24.750   0.7442 -4.862000 1.488000 
1 1 1   71    2    6 o   19.360   0.9276 3.863000 1.855000 
1 1 1   71    2    7 o   24.100   0.7542 -3.296000 1.508000 
1 1 1   71    2    8 o   15.500   1.1650 -2.981000 2.330000 
1 1 1   71    2    9 o   41.240   0.5824 -0.3419000 1.165000 
1 1 1   71    2   10 o   28.000   0.7006 -0.4072000E-01 1.401000 
1 1 1   71    2   11 o   24.000   0.8213 4.415000 1.643000 
1 1 1   71    2   12 o   11.390   1.6670 -4.039000 3.335000 
1 1 1   71    2   13 o   20.420   0.9859 2.455000 1.972000 
1 1 1   71    2   14 o   19.970   1.0740 -1.557000 2.147000 
1 1 1   71    2   15 o   21.010   0.9944 0.8617000 1.989000 
1 1 1   71    2   16 o   38.760   0.7521 0.4592000 1.504000 
1 1 1   71    2   17 o   8.5580   2.0600 2.859000 4.121000 
1 1 1   71    2   18 o   28.670   0.9111 -0.3925000 1.822000 
1 1 1   71    2   19 f   7.9670   2.1370 -0.1480000 4.274000 
1 1 1   71    2   20 o   9.1010   2.1880 -1.789000 4.376000 
1 1 1   71    2   21 o   7.8690   1.9450 3.669000 3.891000 
1 1 1   71    2   22 o   12.100   1.8620 -6.572000 3.724000 
1 1 1   71    2   23 o   11.280   2.1970 -2.779000 4.395000 
1 1 1   71    2   24 o   8.8230   2.0840 -4.695000 4.168000 
1 1 1   71    2   25 o   9.0820   2.2110 -1.206000 4.423000 
1 1 1   71    2   26 o   12.230   1.9940 -0.4820000 3.988000 
1 1 1   71    3    0 o   22.280   1.3250 -0.000000 0.000000 
1 1 1   71    3    1 o   32.570   0.7178 0.6163000E-01 1.436000 
1 1 1   71    3    2 o   30.230   0.7490 0.8572000 1.498000 
1 1 1   71    3    3 o   5.8550   1.7880 -0.2168000 3.577000 
1 1 1   71    3    4 o   40.380   0.6808 1.324000 1.362000 
1 1 1   71    3    5 o   36.950   0.7057 -5.288000 1.411000 
1 1 1   71    3    6 o   28.970   0.7904 -1.085000 1.581000 
1 1 1   71    3    7 o   39.570   0.6337 -0.2628000 1.267000 
1 1 1   71    3    8 o   9.9190   1.8690 1.526000 3.738000 
1 1 1   71    3    9 o   13.760   1.4480 0.6320000 2.896000 
1 1 1   71    3   10 o   42.680   0.6464 2.269000 1.293000 
1 1 1   71    3   11 o   18.170   1.1290 0.9673000 2.257000 
1 1 1   71    3   12 o   13.720   1.5610 -3.261000 3.122000 
1 1 1   71    3   13 o   15.000   1.3480 -2.474000 2.695000 
1 1 1   71    3   14 o   11.430   1.7460 -4.734000 3.492000 
1 1 1   71    3   15 o   24.990   0.8695 1.499000 1.739000 
1 1 1   71    3   16 o   24.270   0.9129 -3.513000 1.826000 
1 1 1   71    3   17 o   35.150   0.7120 -0.4819000 1.424000 
1 1 1   71    3   18 o   13.770   1.6140 -1.693000 3.227000 
1 1 1   71    3   19 o   9.2800   2.0690 0.5733000 4.139000 
1 1 1   71    3   20 f   9.2830   1.7890 7.019000 3.578000 
1 1 1   71    3   21 o   18.780   1.1980 -2.259000 2.397000 
1 1 1   71    3   22 o   12.540   1.7230 1.265000 3.445000 
1 1 1   71    3   23 o   15.850   1.4380 -2.039000 2.876000 
1 1 1   71    3   24 o   14.610   1.5660 -3.846000 3.131000 
1 1 1   71    3   25 o   8.5750   2.0440 -0.2851000 4.089000 
1 1 1   71    3   26 o   10.800   1.7830 4.591000 3.567000 
1 1 1   71    4    0 o   12.110   2.4550 -0.000000 0.000000 
1 1 1   71    4    1 o   36.800   0.7108 0.8273000 1.422000 
1 1 1   71    4    2 o   51.290   0.7024 -4.116000 1.405000 
1 1 1   71    4    3 o   10.780   1.9280 -1.407000 3.857000 
1 1 1   71    4    4 o   39.540   0.6906 -0.4434000 1.381000 
1 1 1   71    4    5 o   42.420   0.6971 -3.916000 1.394000 
1 1 1   71    4    6 o   27.110   0.8381 -2.069000 1.676000 
1 1 1   71    4    7 o   23.250   0.9487 3.011000 1.897000 
1 1 1   71    4    8 o   29.410   0.7967 -0.7892000 1.593000 
1 1 1   71    4    9 o   35.190   0.7516 -1.990000 1.503000 
1 1 1   71    4   10 f   32.020   0.7854 0.3086000 1.571000 
1 1 1   71    4   11 o   30.400   1.1600      ?      ? 
1 1 1   71    4   12 o   18.750   1.2630 2.808000 2.526000 
1 1 1   71    4   13 o   6.2420   1.9290 0.6980000 3.859000 
1 1 1   71    4   14 o   23.050   1.0680 -1.162000 2.135000 
1 1 1   71    4   15 o   9.8600   2.1740 1.873000 4.347000 
1 1 1   71    4   16 o   25.770   1.0190 -0.2567000 2.038000 
1 1 1   71    4   17 o   27.510   0.8876 -1.493000 1.775000 
1 1 1   71    4   18 o   6.9490   1.9210 3.303000 3.842000 
1 1 1   71    4   19 o   15.320   1.5840 -0.3142000 3.168000 
1 1 1   71    4   20 o   14.470   1.7510 1.144000 3.501000 
1 1 1   71    4   21 o   24.920   0.9833 -1.152000 1.967000 
1 1 1   71    4   22 o   21.180   1.1440 -1.331000 2.289000 
1 1 1   71    4   23 o   10.650   2.0360 -2.584000 4.072000 
1 1 1   71    4   24 o   16.340   1.2480 0.8288000 2.496000 
1 1 1   71    4   25 o   13.620   1.5190 3.277000 3.037000 
1 1 1   71    4   26 f   7.0670   1.8840 0.8349000 3.769000 
1 1 1   71    5    0 o   54.410   1.0270 -0.000000 0.000000 
1 1 1   71    5    1 o   6.4410   1.9020 0.1671000 3.805000 
1 1 1   71    5    2 o   42.380   0.7028 0.7854000E-01 1.406000 
1 1 1   71    5    3 o   41.220   0.7004 0.8012000 1.401000 
1 1 1   71    5    4 o   38.030   1.0360      ?      ? 
1 1 1   71    5    5 o   29.230   0.8089 2.647000 1.618000 
1 1 1   71    5    6 o   25.010   0.9270 -3.759000 1.854000 
1 1 1   71    5    7 o   18.090   1.2400 -2.415000 2.480000 
1 1 1   71    5    8 o   17.650   1.2510 -0.3757000 2.503000 
1 1 1   71    5    9 o   40.210   0.7239 -1.024000 1.448000 
1 1 1   71    5   10 f   13.240   2.5510      ?      ? 
1 1 1   71    5   11 o   17.820   1.3470 -2.724000 2.693000 
1 1 1   71    5   12 o   14.590   1.7240 3.752000 3.447000 
1 1 1   71    5   13 o   28.440   0.9336 -2.519000 1.867000 
1 1 1   71    5   14 o   36.460   0.8056 0.3508000 1.611000 
1 1 1   71    5   15 f   7.4890   2.1510 0.3478000 4.302000 
1 1 1   71    5   16 o   27.990   0.9791 -4.445000 1.958000 
1 1 1   71    5   17 o   12.000   2.1080 2.632000 4.217000 
1 1 1   71    5   18 o   12.020   1.9990 -6.919000 3.998000 
1 1 1   71    5   19 o   24.350   1.1140 -3.451000 2.228000 
1 1 1   71    5   20 o   11.750   2.1200 3.358000 4.241000 
1 1 1   71    5   21 o   14.310   1.8760 2.991000 3.753000 
1 1 1   71    5   22 o   5.8560   1.8830 0.7463000 3.766000 
1 1 1   71    5   23 o   11.900   2.1090 0.2568000 4.218000 
1 1 1   71    5   24 o   5.1030   1.7260 -0.7267000 3.451000 
1 1 1   71    5   25 o   11.530   1.9250 -4.463000 3.850000 
1 1 1   71    5   26 o   5.9270   2.8300      ?      ? 
1 1 1   71    6    0 o   36.260   1.0560 -0.000000 0.000000 
1 1 1   71    6    1 o   17.760   1.2840 0.6080000 2.567000 
1 1 1   71    6    2 o   38.840   0.7297 -2.504000 1.459000 
1 1 1   71    6    3 o   35.680   0.7392 -0.2542000 1.478000 
1 1 1   71    6    4 o   65.420   0.7954 0.6347000 1.591000 
1 1 1   71    6    5 o   35.770   0.7597 -1.334000 1.519000 
1 1 1   71    6    6 o   61.920   0.7739 -0.1713000 1.548000 
1 1 1   71    6    7 o   27.920   0.8759 -0.2412000 1.752000 
1 1 1   71    6    8 o   53.710   0.7486 -0.8512000 1.497000 
1 1 1   71    6    9 o   15.530   1.5710 -2.828000 3.141000 
1 1 1   71    6   10 o   28.090   0.9336 -1.840000 1.867000 
1 1 1   71    6   11 o   10.930   2.0340 -4.875000 4.069000 
1 1 1   71    6   12 o   25.820   1.0330 -2.680000 2.066000 
1 1 1   71    6   13 o   22.070   1.1600 -1.869000 2.320000 
1 1 1   71    6   14 o   21.670   1.2120 1.902000 2.424000 
1 1 1   71    6   15 o   16.280   1.7050 4.641000 3.411000 
1 1 1   71    6   16 f   8.0090   2.1500 3.966000 4.300000 
1 1 1   71    6   17 o   13.560   2.0030 5.064000 4.006000 
1 1 1   71    6   18 o   12.660   2.0400 6.974000 4.080000 
1 1 1   71    6   19 o   23.500   1.2150 4.957000 2.430000 
1 1 1   71    6   20 o   21.970   1.2300 -3.885000 2.460000 
1 1 1   71    6   21 o   9.9890   2.2530 -2.744000 4.506000 
1 1 1   71    6   22 o   6.8950   1.9640 3.718000 3.928000 
1 1 1   71    6   23 o   8.6590   2.1910 -2.250000 4.382000 
1 1 1   71    6   24 o   18.070   1.4320 -1.023000 2.864000 
1 1 1   71    6   25 o   9.8780   2.0430 5.940000 4.086000 
1 1 1   71    7    0 o   12.110   2.6170 -0.000000 0.000000 
1 1 1   71    7    1 o   9.2530   2.1030 2.440000 4.207000 
1 1 1   71    7    2 o   28.730   0.8501 -0.5618000 1.700000 
1 1 1   71    7    3 o   23.500   1.0240 -1.041000 2.048000 
1 1 1   71    7    4 o   59.620   0.7634 -0.1640000 1.527000 
1 1 1   71    7    5 f   15.540   1.5120 1.612000 3.025000 
1 1 1   71    7    6 o   21.050   1.1340 1.790000 2.269000 
1 1 1   71    7    7 o   20.360   1.1420 -0.3158000 2.284000 
1 1 1   71    7    8 o   11.750   1.9950 1.880000 3.989000 
1 1 1   71    7    9 o   22.440   1.1320 -0.1044000 2.263000 
1 1 1   71    7   10 o   10.570   2.1160 2.608000 4.232000 
1 1 1   71    7   11 o   48.620   0.7528 -2.166000 1.506000 
1 1 1   71    7   12 o   8.3160   2.1700 2.834000 4.339000 
1 1 1   71    7   13 o   24.480   1.1140 1.448000 2.229000 
1 1 1   71    7   14 o   21.960   1.2320 0.5052000 2.464000 
1 1 1   71    7   15 o   13.950   1.9800 0.5606000 3.959000 
1 1 1   71    7   16 o   6.5460   2.0470 0.7222000 4.093000 
1 1 1   71    7   17 o   10.180   2.2630 3.400000 4.527000 
1 1 1   71    7   18 o   22.310   1.2490 2.072000 2.498000 
1 1 1   71    7   19 o   10.080   2.1990 -3.276000 4.399000 
1 1 1   71    7   20 o   11.300   2.2320 -0.2615000 4.464000 
1 1 1   71    7   21 o   11.180   2.2110 -1.094000 4.421000 
1 1 1   71    7   22 o   6.8150   2.0470 -2.331000 4.093000 
1 1 1   71    7   23 o   10.700   2.1190 3.374000 4.238000 
1 1 1   71    7   24 o   7.3020   2.1020 -0.4329000 4.204000 
1 1 1   71    7   25 o   8.8830   3.6230      ?      ? 
1 1 1   71    8    0 o   5.1430   2.4310 -0.000000 0.000000 
1 1 1   71    8    1 o   10.500   2.1090 -1.656000 4.219000 
1 1 1   71    8    2 o   33.070   1.1740      ?      ? 
1 1 1   71    8    3 o   54.120   0.7556 0.1924000 1.511000 
1 1 1   71    8    4 o   20.390   1.2090 3.482000 2.418000 
1 1 1   71    8    5 o   19.540   1.2490 -3.626000 2.497000 
1 1 1   71    8    6 o   17.420   1.4650 4.422000 2.931000 
1 1 1   71    8    7 o   10.950   2.0780 3.738000 4.157000 
1 1 1   71    8    8 o   36.170   0.8035 -0.2558000 1.607000 
1 1 1   71    8    9 o   30.720   0.9005 -0.4068000 1.801000 
1 1 1   71    8   10 o   11.550   2.0710 -3.952000 4.143000 
1 1 1   71    8   11 o   7.0530   2.0750 2.862000 4.149000 
1 1 1   71    8   12 o   27.780   1.0310 -1.726000 2.063000 
1 1 1   71    8   13 o   11.140   2.2930 0.4710000E-01 4.586000 
1 1 1   71    8   14 o   45.480   0.8019 0.2859000 1.604000 
1 1 1   71    8   15 o   9.9280   2.3140 -3.652000 4.628000 
1 1 1   71    8   16 o   8.8910   2.2010 -4.130000 4.403000 
1 1 1   71    8   17 o   7.2160   2.1320 -2.335000 4.265000 
1 1 1   71    8   18 o   15.740   1.8810 -6.507000 3.762000 
1 1 1   71    8   19 o   6.9910   2.1410 -0.6759000 4.282000 
1 1 1   71    8   20 o   13.430   2.0150 6.749000 4.030000 
1 1 1   71    8   21 f   11.090   2.2530 0.1282000 4.506000 
1 1 1   71    8   22 o   15.970   1.6710 -4.649000 3.341000 
1 1 1   71    8   23 o   6.4270   1.9510 2.697000 3.902000 
1 1 1   71    8   24 o   8.0060   2.1590 -2.107000 4.318000 
1 1 1   71    9    0 o   38.120   1.1450 -0.000000 0.000000 
1 1 1   71    9    1 o   41.090   0.7841 2.441000 1.568000 
1 1 1   71    9    2 o   20.620   1.2720 3.807000 2.545000 
1 1 1   71    9    3 o   27.050   1.0190 -1.402000 2.038000 
1 1 1   71    9    4 o   17.040   1.5740 0.5199000 3.149000 
1 1 1   71    9    5 o   9.4270   2.1970 1.237000 4.393000 
1 1 1   71    9    6 o   15.460   1.7110 3.707000 3.423000 
1 1 1   71    9    7 f   29.590   1.3630      ?      ? 
1 1 1   71    9    8 o   19.280   1.3630 0.1215000 2.726000 
1 1 1   71    9    9 o   12.920   2.0820 -1.174000 4.164000 
1 1 1   71    9   10 o   14.920   1.8710 5.323000 3.742000 
1 1 1   71    9   11 o   6.0710   1.9610 1.172000 3.923000 
1 1 1   71    9   12 o   8.8600   2.0610 -6.383000 4.123000 
1 1 1   71    9   13 o   28.170   1.0650 -1.139000 2.129000 
1 1 1   71    9   14 o   10.130   2.3300 3.317000 4.659000 
1 1 1   71    9   15 o   13.770   2.1800 -2.163000 4.360000 
1 1 1   71    9   16 o   6.4710   2.0330 3.018000 4.067000 
1 1 1   71    9   17 o   7.5460   2.1700 -3.046000 4.340000 
1 1 1   71    9   18 o   14.900   1.9330 -4.674000 3.866000 
1 1 1   71    9   19 o   5.6550   1.8740 0.7440000 3.748000 
1 1 1   71    9   20 o   15.440   1.8880 1.429000 3.776000 
1 1 1   71    9   21 o   11.470   2.2680 -0.8174000 4.537000 
1 1 1   71    9   22 o   8.4600   2.1250 -4.510000 4.250000 
1 1 1   71    9   23 o   11.190   2.2320 -1.952000 4.464000 
1 1 1   71   10    0 o   19.170   1.9700 -0.000000 0.000000 
1 1 1   71   10    1 o   17.750   1.5930 1.513000 3.186000 
1 1 1   71   10    2 o   11.540   2.1140 -5.795000 4.228000 
1 1 1   71   10    3 o   14.120   1.9730 4.632000 3.947000 
1 1 1   71   10    4 o   25.740   1.1440 -1.655000 2.288000 
1 1 1   71   10    5 o   26.460   1.0780 2.605000 2.157000 
1 1 1   71   10    6 f   16.010   1.8260 -5.508000 3.653000 
1 1 1   71   10    7 o   8.9030   2.3160 0.2170000 4.631000 
1 1 1   71   10    8 o   31.630   0.9523 -0.8783000 1.905000 
1 1 1   71   10    9 o   26.920   1.0780 -0.8440000 2.156000 
1 1 1   71   10   10 o   7.8620   2.2090 2.644000 4.418000 
1 1 1   71   10   11 o   9.8430   2.3410 2.246000 4.682000 
1 1 1   71   10   12 o   21.460   1.4400 -3.179000 2.879000 
1 1 1   71   10   13 o   21.490   1.3830 0.9729000 2.766000 
1 1 1   71   10   14 o   32.950   0.9980 2.648000 1.996000 
1 1 1   71   10   15 o   8.3980   2.2350 4.574000 4.470000 
1 1 1   71   10   16 o   24.960   1.2600 -4.326000 2.519000 
1 1 1   71   10   17 o   8.9560   2.3500 -1.213000 4.700000 
1 1 1   71   10   18 f   25.890   1.1260 2.473000 2.252000 
1 1 1   71   10   19 o   9.4150   2.3410 1.691000 4.683000 
1 1 1   71   10   20 o   10.190   1.9570 7.864000 3.913000 
1 1 1   71   10   21 o   7.2300   3.0510      ?      ? 
1 1 1   71   10   22 o   7.7470   2.1400 3.407000 4.281000 
1 1 1   71   11    0 o   20.520   2.0270 -0.000000 0.000000 
1 1 1   71   11    1 o   17.460   1.7010 -2.867000 3.403000 
1 1 1   71   11    2 o   24.190   1.2160 -0.4576000 2.433000 
1 1 1   71   11    3 o   29.090   1.0500 -2.174000 2.099000 
1 1 1   71   11    4 o   28.520   1.0850 -1.884000 2.170000 
1 1 1   71   11    5 o   11.140   2.2600 4.620000 4.520000 
1 1 1   71   11    6 o   31.970   1.3960      ?      ? 
1 1 1   71   11    7 o   34.340   0.9583 1.726000 1.917000 
1 1 1   71   11    8 o   10.920   2.4050 -0.5098000 4.810000 
1 1 1   71   11    9 o   6.8280   2.0910 -3.127000 4.182000 
1 1 1   71   11   10 o   10.560   2.2130 -5.956000 4.426000 
1 1 1   71   11   11 o   17.970   1.7500 3.159000 3.500000 
1 1 1   71   11   12 o   21.030   1.4680 -1.840000 2.936000 
1 1 1   71   11   13 o   9.6140   2.4000 -2.760000 4.800000 
1 1 1   71   11   14 o   20.890   1.4760 -0.2278000 2.953000 
1 1 1   71   11   15 o   20.280   1.5080 -3.035000 3.015000 
1 1 1   71   11   16 o   11.010   2.3990 1.267000 4.797000 
1 1 1   71   11   17 o   10.520   2.2370 -5.880000 4.475000 
1 1 1   71   11   18 o   11.430   2.2840 -3.584000 4.567000 
1 1 1   71   11   19 o   7.4900   2.1770 -0.9985000 4.354000 
1 1 1   71   11   20 o   13.440   2.0020 0.9474000E-01 4.004000 
1 1 1   71   11   21 o   8.0920   2.2530 0.8625000 4.506000 
1 1 1   71   12    0 o   10.290   3.4440 -0.000000 0.000000 
1 1 1   71   12    1 o   13.850   2.1890 -5.710000 4.377000 
1 1 1   71   12    2 o   16.820   1.8740 -3.139000 3.749000 
1 1 1   71   12    3 o   26.610   1.1960 0.5547000 2.392000 
1 1 1   71   12    4 o   19.680   1.5960 -0.1504000 3.191000 
1 1 1   71   12    5 o   9.6960   2.4420 2.041000 4.885000 
1 1 1   71   12    6 o   12.630   2.3240 3.429000 4.647000 
1 1 1   71   12    7 o   8.1100   2.3300 0.5462000 4.661000 
1 1 1   71   12    8 o   8.5610   2.3060 3.894000 4.612000 
1 1 1   71   12    9 o   11.740   2.3570 -4.294000 4.714000 
1 1 1   71   12   10 o   22.280   1.4310 4.957000 2.861000 
1 1 1   71   12   11 o   6.7780   2.1420 0.1613000 4.283000 
1 1 1   71   12   12 o   13.560   2.2700 6.028000 4.540000 
1 1 1   71   12   13 o   19.450   1.6750 -4.372000 3.350000 
1 1 1   71   12   14 o   15.280   2.0940 9.292000 4.189000 
1 1 1   71   12   15 o   13.190   2.2000 7.068000 4.400000 
1 1 1   71   12   16 o   10.720   2.4580 1.914000 4.916000 
1 1 1   71   12   17 o   7.2980   2.2220 0.1301000 4.445000 
1 1 1   71   12   18 o   10.870   2.1450 -5.164000 4.290000 
1 1 1   71   12   19 o   6.5550   2.0390 1.673000 4.079000 
1 1 1   71   12   20 o   9.3500   2.3050 -1.504000 4.611000 
1 1 1   71   13    0 o   29.790   1.5420 -0.000000 0.000000 
1 1 1   71   13    1 o   34.640   0.9928 3.313000 1.986000 
1 1 1   71   13    2 o   25.990   1.2790 1.540000 2.557000 
1 1 1   71   13    3 o   17.620   1.8920 5.526000 3.784000 
1 1 1   71   13    4 o   20.560   1.6420 5.870000 3.284000 
1 1 1   71   13    5 o   13.660   3.1930      ?      ? 
1 1 1   71   13    6 o   14.290   2.2110 4.155000 4.421000 
1 1 1   71   13    7 o   22.020   1.4160 -1.587000 2.832000 
1 1 1   71   13    8 o   15.080   2.9930      ?      ? 
1 1 1   71   13    9 f   8.6220   2.4310 0.2859000 4.862000 
1 1 1   71   13   10 o   20.720   1.5320 4.349000 3.063000 
1 1 1   71   13   11 o   11.490   2.3400 -5.309000 4.680000 
1 1 1   71   13   12 o   12.480   2.4460 2.178000 4.891000 
1 1 1   71   13   13 o   23.940   2.0050      ?      ? 
1 1 1   71   13   14 o   9.7280   2.3550 5.232000 4.710000 
1 1 1   71   13   15 o   9.3260   2.4700 0.3215000 4.941000 
1 1 1   71   13   16 o   11.870   2.3630 0.1866000 4.726000 
1 1 1   71   13   17 o   7.9830   2.2750 1.464000 4.550000 
1 1 1   71   13   18 o   7.2940   2.1420 -1.112000 4.283000 
1 1 1   71   13   19 o   8.7780   1.9700 6.381000 3.940000 
1 1 1   71   14    0 o   15.270   2.9210 -0.000000 0.000000 
1 1 1   71   14    1 f   27.240   1.2260 -1.619000 2.452000 
1 1 1   71   14    2 o   15.910   2.1310 1.735000 4.262000 
1 1 1   71   14    3 o   28.910   1.2030 -3.488000 2.405000 
1 1 1   71   14    4 o   14.630   2.2170 -4.289000 4.433000 
1 1 1   71   14    5 f   12.160   2.4320 -3.527000 4.865000 
1 1 1   71   14    6 o   9.7470   2.4670 1.183000 4.935000 
1 1 1   71   14    7 o   11.740   2.4430 -0.4430000 4.885000 
1 1 1   71   14    8 o   9.9110   2.4990 0.1791000 4.998000 
1 1 1   71   14    9 o   8.2300   2.3880 -1.648000 4.776000 
1 1 1   71   14   10 f   12.760   2.3950 2.314000 4.790000 
1 1 1   71   14   11 o   10.830   2.4550 -3.219000 4.910000 
1 1 1   71   14   12 o   8.6690   2.4160 -0.7556000 4.833000 
1 1 1   71   14   13 o   14.010   2.1800 -8.177000 4.360000 
1 1 1   71   14   14 o   8.4890   2.3110 -3.397000 4.621000 
1 1 1   71   14   15 o   8.4500   2.2750 0.8041000 4.551000 
1 1 1   71   14   16 o   7.7220   2.1510 -3.288000 4.301000 
1 1 1   71   14   17 o   6.8860   2.0690 -2.771000 4.137000 
1 1 1   71   15    0 o   11.050   3.6120 -0.000000 0.000000 
1 1 1   71   15    1 o   22.200   1.5230 -3.181000 3.046000 
1 1 1   71   15    2 f   9.9820   2.2430 -7.197000 4.487000 
1 1 1   71   15    3 o   17.670   1.9380 1.902000 3.876000 
1 1 1   71   15    4 o   10.830   2.4910 3.254000 4.982000 
1 1 1   71   15    5 o   8.9130   2.4160 2.795000 4.832000 
1 1 1   71   15    6 o   9.3910   2.4980 -2.075000 4.997000 
1 1 1   71   15    7 o   10.840   2.5200 2.879000 5.039000 
1 1 1   71   15    8 f   10.580   2.2500 7.372000 4.500000 
1 1 1   71   15    9 o   11.030   2.5220 -0.5172000 5.044000 
1 1 1   71   15   10 o   14.160   2.3440 -2.345000 4.688000 
1 1 1   71   15   11 o   7.0360   2.2120 1.147000 4.423000 
1 1 1   71   15   12 o   10.540   2.2230 4.514000 4.446000 
1 1 1   71   15   13 o   8.9710   2.3160 1.014000 4.631000 
1 1 1   71   15   14 o   6.3130   1.9890 2.160000 3.979000 
1 1 1   71   15   15 o   5.6180   1.8550 1.679000 3.709000 
1 1 1   71   15   16 o   10.410   2.3740 -3.127000 4.748000 
1 1 1   71   16    0 o   10.400   3.6550 -0.000000 0.000000 
1 1 1   71   16    1 o   11.210   2.4990 -4.511000 4.998000 
1 1 1   71   16    2 o   8.3230   2.3190 4.536000 4.637000 
1 1 1   71   16    3 o   14.270   2.3490 -3.259000 4.697000 
1 1 1   71   16    4 o   9.5270   2.1810 -8.011000 4.361000 
1 1 1   71   16    5 o   22.800   1.5260 1.344000 3.053000 
1 1 1   71   16    6 o   9.9450   2.4420 -4.495000 4.884000 
1 1 1   71   16    7 f   15.480   2.1620 1.655000 4.324000 
1 1 1   71   16    8 o   8.8560   2.3560 -0.2541000 4.713000 
1 1 1   71   16    9 o   8.4280   2.2150 3.990000 4.429000 
1 1 1   71   16   10 o   7.4070   2.2250 -0.6764000 4.451000 
1 1 1   71   16   11 o   9.7260   2.3710 2.255000 4.741000 
1 1 1   71   16   12 o   6.5210   2.0500 1.879000 4.100000 
1 1 1   71   16   13 o   13.180   2.2070 0.2518000 4.414000 
1 1 1   71   16   14 o   12.710   4.7830      ?      ? 
1 1 1   71   17    0 o   23.870   1.9850 -0.000000 0.000000 
1 1 1   71   17    1 o   8.7300   2.4240 2.794000 4.848000 
1 1 1   71   17    2 o   11.130   2.5180 1.250000 5.036000 
1 1 1   71   17    3 o   7.5680   2.2630 2.759000 4.526000 
1 1 1   71   17    4 o   18.570   1.6330 -1.963000 3.267000 
1 1 1   71   17    5 o   8.4030   2.2170 -4.929000 4.434000 
1 1 1   71   17    6 o   8.3790   2.2950 -3.310000 4.590000 
1 1 1   71   17    7 o   11.910   2.2680 -0.2133000 4.537000 
1 1 1   71   17    8 o   11.180   2.1990 5.583000 4.398000 
1 1 1   71   17    9 o   10.460   2.0790 7.289000 4.158000 
1 1 1   71   17   10 o   8.2220   2.3180 0.4608000 4.635000 
1 1 1   71   17   11 o   7.6710   2.2710 1.337000 4.542000 
1 1 1   71   18    0 o   6.7860   2.9800 -0.000000 0.000000 
1 1 1   71   18    1 o   7.0920   2.1420 1.528000 4.285000 
1 1 1   71   18    2 o   8.7790   2.3620 -0.5898000 4.724000 
1 1 1   71   18    3 o   9.2800   2.2800 3.634000 4.559000 
1 1 1   71   18    4 o   9.4860   2.3100 -4.300000 4.619000 
1 1 1   71   18    5 o   6.6320   2.0690 -2.915000 4.138000 
1 1 1   71   18    6 o   9.0910   2.2420 2.991000 4.484000 
1 1 1   71   18    7 o   8.1000   2.3140 0.6749000 4.628000 
1 1 1   72    0    0 o   83.200   1.8730 -0.000000 0.000000 
1 1 1   72    0    1 o   38.200   1.0510 -0.000000 0.000000 
1 1 1   72    0    2 o   7.0270   2.9200 -0.000000 0.000000 
1 1 1   72    0    3 f   23.880   1.4150 -0.000000 0.000000 
1 1 1   72    0    4 o   20.580   1.6310 -0.000000 0.000000 
1 1 1   72    0    5 o   39.630   1.0520 -0.000000 0.000000 
1 1 1   72    0    6 o   80.690   1.3030 -0.000000 0.000000 
1 1 1   72    0    7 o   38.250   1.0810 -0.000000 0.000000 
1 1 1   72    0    8 o   61.690   1.1070 -0.000000 0.000000 
1 1 1   72    0    9 o   21.880   1.6430 -0.000000 0.000000 
1 1 1   72    0   10 f   8.1020   3.0610 -0.000000 0.000000 
1 1 1   72    0   11 o   13.770   2.6570 -0.000000 0.000000 
1 1 1   72    0   12 o   6.9120   2.9190 -0.000000 0.000000 
1 1 1   72    0   13 o   14.740   2.5290 -0.000000 0.000000 
1 1 1   72    0   14 o   29.680   1.3940 -0.000000 0.000000 
1 1 1   72    0   15 o   51.070   1.1160 -0.000000 0.000000 
1 1 1   72    0   16 o   28.230   1.4720 -0.000000 0.000000 
1 1 1   72    0   17 o   6.9370   3.0380 -0.000000 0.000000 
1 1 1   72    0   18 o   20.190   2.0660 -0.000000 0.000000 
1 1 1   72    0   19 o   17.660   2.3480 -0.000000 0.000000 
1 1 1   72    0   20 o   12.500   3.0620 -0.000000 0.000000 
1 1 1   72    0   21 o   14.170   2.8140 -0.000000 0.000000 
1 1 1   72    0   22 o   9.2040   3.2340 -0.000000 0.000000 
1 1 1   72    0   23 o   5.7800   2.6530 -0.000000 0.000000 
1 1 1   72    0   24 o   12.810   2.7580 -0.000000 0.000000 
1 1 1   72    0   25 f   14.910   2.4710 -0.000000 0.000000 
1 1 1   72    0   26 o   9.5800   3.0560 -0.000000 0.000000 
1 1 1   72    1    0 o   5.8360   2.4340 -0.000000 0.000000 
1 1 1   72    1    1 o   26.700   0.6746 1.413000 1.349000 
1 1 1   72    1    2 o   42.140   0.6467 -1.445000 1.293000 
1 1 1   72    1    3 f   32.450   0.7137 -1.283000 1.427000 
1 1 1   72    1    4 o   32.430   0.7114 0.2603000 1.423000 
1 1 1   72    1    5 o   9.6130   1.8970 -4.537000 3.793000 
1 1 1   72    1    6 o   16.480   1.2960 1.235000 2.593000 
1 1 1   72    1    7 o   26.360   0.8175 -1.893000 1.635000 
1 1 1   72    1    8 o   52.210   0.6681 -2.070000 1.336000 
1 1 1   72    1    9 o   17.120   2.0590      ?      ? 
1 1 1   72    1   10 o   28.300   0.9294 0.1150000 1.859000 
1 1 1   72    1   11 o   15.050   1.7770 -5.246000 3.553000 
1 1 1   72    1   12 o   12.430   2.1070 3.526000 4.213000 
1 1 1   72    1   13 o   22.980   1.1520 3.583000 2.304000 
1 1 1   72    1   14 f   44.910   0.7927 -3.068000 1.585000 
1 1 1   72    1   15 o   34.670   0.9192 0.8308000 1.838000 
1 1 1   72    1   16 o   17.770   1.6760 4.207000 3.353000 
1 1 1   72    1   17 o   32.020   0.9875 1.851000 1.975000 
1 1 1   72    1   18 o   10.820   2.2640 4.421000 4.528000 
1 1 1   72    1   19 o   15.730   1.8490 -2.851000 3.699000 
1 1 1   72    1   20 f   9.6480   2.2140 4.375000 4.428000 
1 1 1   72    1   21 f   11.330   2.0520 -7.593000 4.103000 
1 1 1   72    1   22 o   11.130   2.0440 7.235000 4.087000 
1 1 1   72    1   23 o   7.9430   2.1750 1.857000 4.350000 
1 1 1   72    1   24 o   8.0480   2.1690 -0.2239000 4.338000 
1 1 1   72    1   25 o   12.740   1.9080 3.901000 3.816000 
1 1 1   72    1   26 o   16.220   1.5480 -5.909000 3.097000 
1 1 1   72    2    0 o   6.0640   2.4810 -0.000000 0.000000 
1 1 1   72    2    1 o   41.570   0.5714 2.409000 1.143000 
1 1 1   72    2    2 o   43.180   0.5658 2.536000 1.132000 
1 1 1   72    2    3 o   18.620   0.9395 -0.8033000 1.879000 
1 1 1   72    2    4 o   69.490   0.6664 0.8858000 1.333000 
1 1 1   72    2    5 o   31.810   0.6422 -2.354000 1.284000 
1 1 1   72    2    6 o   30.510   0.6628 2.839000 1.326000 
1 1 1   72    2    7 o   14.190   1.2720 -1.942000 2.544000 
1 1 1   72    2    8 o   17.860   1.0340 0.6067000E-01 2.069000 
1 1 1   72    2    9 o   20.330   0.9298 -0.1675000 1.860000 
1 1 1   72    2   10 o   55.580   0.6075 0.3656000 1.215000 
1 1 1   72    2   11 o   23.740   0.8289 0.3907000 1.658000 
1 1 1   72    2   12 o   10.110   1.8600 -1.862000 3.720000 
1 1 1   72    2   13 o   12.060   1.6620 -8.458000 3.325000 
1 1 1   72    2   14 o   7.2740   1.9400 1.607000 3.881000 
1 1 1   72    2   15 o   9.3020   2.0210 1.728000 4.041000 
1 1 1   72    2   16 o   26.060   1.0100 0.9504000 2.020000 
1 1 1   72    2   17 o   29.180   0.9302 0.1037000 1.860000 
1 1 1   72    2   18 o   12.370   1.9700 -5.207000 3.940000 
1 1 1   72    2   19 o   14.460   1.8110 4.746000 3.622000 
1 1 1   72    2   20 o   12.060   2.0350 0.2667000 4.070000 
1 1 1   72    2   21 o   28.490   0.9110 -0.9655000 1.822000 
1 1 1   72    2   22 o   19.900   1.4040 -3.745000 2.808000 
1 1 1   72    2   23 o   8.3940   2.2210 1.969000 4.442000 
1 1 1   72    2   24 o   9.6200   2.1910 -2.934000 4.382000 
1 1 1   72    2   25 o   14.160   1.8320 -4.538000 3.663000 
1 1 1   72    2   26 o   19.010   1.2910 -2.102000 2.581000 
1 1 1   72    3    0 o   21.900   1.4010 -0.000000 0.000000 
1 1 1   72    3    1 o   65.170   0.7747 -0.4929000 1.549000 
1 1 1   72    3    2 o   17.210   1.2250 1.005000 2.450000 
1 1 1   72    3    3 o   18.880   1.5880      ?      ? 
1 1 1   72    3    4 o   44.260   0.6938 -3.012000 1.388000 
1 1 1   72    3    5 o   11.130   1.7430 1.708000 3.486000 
1 1 1   72    3    6 o   25.390   0.8301 2.106000 1.660000 
1 1 1   72    3    7 o   28.870   0.7443 2.186000 1.489000 
1 1 1   72    3    8 o   40.010   0.6554 -0.3884000 1.311000 
1 1 1   72    3    9 o   36.390   0.6690 -0.9191000 1.338000 
1 1 1   72    3   10 o   28.600   0.7845 1.096000 1.569000 
1 1 1   72    3   11 o   22.020   0.9686 -0.2059000 1.937000 
1 1 1   72    3   12 o   19.380   1.0550 3.764000 2.110000 
1 1 1   72    3   13 o   13.510   1.5750 -3.821000 3.149000 
1 1 1   72    3   14 o   15.250   1.3720 -1.064000 2.745000 
1 1 1   72    3   15 o   7.7810   2.0210 0.1860000 4.043000 
1 1 1   72    3   16 o   8.3930   1.8720 4.644000 3.744000 
1 1 1   72    3   17 o   25.760   0.8687 0.5070000 1.737000 
1 1 1   72    3   18 o   23.830   0.9640 0.4508000 1.928000 
1 1 1   72    3   19 o   14.220   1.5570 0.1096000 3.114000 
1 1 1   72    3   20 f   17.200   1.3130 0.1030000 2.626000 
1 1 1   72    3   21 o   15.300   1.4970 4.327000 2.994000 
1 1 1   72    3   22 o   11.970   1.7700 0.1759000 3.540000 
1 1 1   72    3   23 o   16.040   1.4700 0.6566000E-01 2.940000 
1 1 1   72    3   24 o   5.8440   1.8460 -1.492000 3.691000 
1 1 1   72    3   25 o   21.580   1.0260 3.482000 2.052000 
1 1 1   72    3   26 o   6.9720   1.8930 1.674000 3.786000 
1 1 1   72    4    0 o   8.8470   2.9200 -0.000000 0.000000 
1 1 1   72    4    1 o   23.700   0.9459 -2.466000 1.892000 
1 1 1   72    4    2 o   7.3480   1.9820 0.2813000 3.964000 
1 1 1   72    4    3 o   58.020   0.7374 2.709000 1.475000 
1 1 1   72    4    4 o   78.730   0.8905 1.647000 1.781000 
1 1 1   72    4    5 o   14.740   1.5190 -1.345000 3.038000 
1 1 1   72    4    6 o   22.410   1.0020 -3.324000 2.005000 
1 1 1   72    4    7 o   21.290   1.0830 4.513000 2.165000 
1 1 1   72    4    8 o   23.320   0.9821 -3.315000 1.964000 
1 1 1   72    4    9 o   26.980   0.8823 -1.178000 1.765000 
1 1 1   72    4   10 o   7.1680   2.0420 -0.4615000 4.085000 
1 1 1   72    4   11 o   36.230   0.7627 0.4943000 1.525000 
1 1 1   72    4   12 o   34.790   1.1360      ?      ? 
1 1 1   72    4   13 o   10.960   2.0490 -4.328000 4.099000 
1 1 1   72    4   14 o   13.460   1.8920 -3.304000 3.784000 
1 1 1   72    4   15 o   12.030   2.0350 -4.561000 4.070000 
1 1 1   72    4   16 o   20.840   1.1750 -2.235000 2.350000 
1 1 1   72    4   17 o   7.8970   1.9770 3.702000 3.953000 
1 1 1   72    4   18 o   6.3690   1.9530 0.2601000 3.905000 
1 1 1   72    4   19 o   8.7790   2.0180 3.988000 4.035000 
1 1 1   72    4   20 o   7.1320   1.9990 -4.601000 3.997000 
1 1 1   72    4   21 o   21.950   1.1220 -0.2552000E-02 2.243000 
1 1 1   72    4   22 o   8.4050   2.1460 -0.6701000 4.292000 
1 1 1   72    4   23 o   6.2820   1.8340 -2.576000 3.668000 
1 1 1   72    4   24 f   5.6730   1.7500 -1.748000 3.499000 
1 1 1   72    4   25 o   19.370   1.0140 -1.070000 2.028000 
1 1 1   72    4   26 o   8.6850   2.2690 3.348000 4.539000 
1 1 1   72    5    0 o   34.720   1.0720 -0.000000 0.000000 
1 1 1   72    5    1 o   13.270   1.6670 -0.8047000E-01 3.334000 
1 1 1   72    5    2 o   24.040   0.9660 -1.318000 1.932000 
1 1 1   72    5    3 o   42.840   0.7206 -3.857000 1.441000 
1 1 1   72    5    4 o   24.420   0.9408 -1.098000 1.882000 
1 1 1   72    5    5 f   28.370   0.8557 0.6723000 1.711000 
1 1 1   72    5    6 o   35.700   0.7443 3.205000 1.489000 
1 1 1   72    5    7 o   22.310   1.0540 0.2048000 2.108000 
1 1 1   72    5    8 o   12.030   1.9050 1.938000 3.809000 
1 1 1   72    5    9 o   24.570   0.9815 0.7353000 1.963000 
1 1 1   72    5   10 o   15.750   1.5190 -1.864000 3.039000 
1 1 1   72    5   11 o   26.260   0.9569 1.551000 1.914000 
1 1 1   72    5   12 o   7.3240   2.0910 1.201000 4.181000 
1 1 1   72    5   13 o   31.150   0.8950 3.095000 1.790000 
1 1 1   72    5   14 o   10.160   1.8530 -8.775000 3.706000 
1 1 1   72    5   15 o   22.820   1.1550 3.515000 2.310000 
1 1 1   72    5   16 o   25.280   1.0880 2.532000 2.177000 
1 1 1   72    5   17 o   10.040   2.2380 2.352000 4.476000 
1 1 1   72    5   18 o   23.520   1.1700 3.779000 2.340000 
1 1 1   72    5   19 o   13.830   1.9730 -0.2344000 3.947000 
1 1 1   72    5   20 o   16.490   1.6280 -2.345000 3.255000 
1 1 1   72    5   21 f   21.200   1.2130 -1.850000 2.426000 
1 1 1   72    5   22 o   8.1940   2.1860 -0.7439000 4.371000 
1 1 1   72    5   23 o   9.6610   1.7850 -8.219000 3.571000 
1 1 1   72    5   24 o   8.0880   2.0970 -1.310000 4.194000 
1 1 1   72    5   25 o   8.2300   2.1050 -1.033000 4.210000 
1 1 1   72    6    0 o   6.5780   2.7940 -0.000000 0.000000 
1 1 1   72    6    1 o   41.350   0.7261 -0.9771000 1.452000 
1 1 1   72    6    2 o   16.300   1.4090 0.9546000 2.819000 
1 1 1   72    6    3 o   17.980   1.2530 -0.4544000 2.506000 
1 1 1   72    6    4 o   25.740   0.9358 2.053000 1.872000 
1 1 1   72    6    5 o   38.810   0.7328 0.1742000 1.466000 
1 1 1   72    6    6 o   15.720   1.5330 3.443000 3.065000 
1 1 1   72    6    7 o   33.520   0.7917 0.2141000 1.583000 
1 1 1   72    6    8 o   6.1210   1.8420 3.264000 3.684000 
1 1 1   72    6    9 o   29.570   0.8819 -3.701000 1.764000 
1 1 1   72    6   10 o   13.710   1.8600 -1.951000 3.720000 
1 1 1   72    6   11 o   31.770   0.8493 -0.6663000E-01 1.699000 
1 1 1   72    6   12 o   7.9530   2.1460 -2.058000 4.292000 
1 1 1   72    6   13 o   10.390   2.1610 3.137000 4.322000 
1 1 1   72    6   14 f   37.180   0.8299 2.763000 1.660000 
1 1 1   72    6   15 o   8.2660   2.2280 -2.661000 4.457000 
1 1 1   72    6   16 o   14.880   1.9380 2.694000 3.876000 
1 1 1   72    6   17 o   10.390   2.3030 0.4660000 4.606000 
1 1 1   72    6   18 o   10.010   2.3070 1.501000 4.614000 
1 1 1   72    6   19 o   12.700   2.1650 2.520000 4.330000 
1 1 1   72    6   20 o   12.460   2.1530 -0.9089000 4.306000 
1 1 1   72    6   21 o   9.5390   2.2010 2.743000 4.402000 
1 1 1   72    6   22 o   14.880   1.7660 3.360000 3.533000 
1 1 1   72    6   23 o   10.360   2.1410 -4.810000 4.282000 
1 1 1   72    6   24 o   6.9320   2.0430 -2.086000 4.086000 
1 1 1   72    6   25 o   12.040   1.9620 7.116000 3.924000 
1 1 1   72    7    0 o   64.870   1.1300 -0.000000 0.000000 
1 1 1   72    7    1 o   42.610   0.7372 0.6834000 1.474000 
1 1 1   72    7    2 o   34.320   0.7880 2.103000 1.576000 
1 1 1   72    7    3 o   44.450   0.7425 -0.8623000E-01 1.485000 
1 1 1   72    7    4 o   6.7850   1.9880 1.111000 3.975000 
1 1 1   72    7    5 o   25.880   0.9650 -1.384000 1.930000 
1 1 1   72    7    6 o   53.190   0.7525 1.078000 1.505000 
1 1 1   72    7    7 o   26.350   0.9648 -2.317000 1.930000 
1 1 1   72    7    8 o   17.340   1.4580 -2.890000 2.916000 
1 1 1   72    7    9 o   17.000   1.5390 -3.116000 3.078000 
1 1 1   72    7   10 o   11.650   2.1390 -1.748000 4.277000 
1 1 1   72    7   11 o   6.6980   2.0350 0.9483000 4.071000 
1 1 1   72    7   12 o   25.830   1.0770 -1.286000 2.154000 
1 1 1   72    7   13 o   26.330   1.0520 -3.533000 2.105000 
1 1 1   72    7   14 o   6.8320   2.0830 1.858000 4.167000 
1 1 1   72    7   15 o   24.310   1.1820 3.285000 2.363000 
1 1 1   72    7   16 o   13.230   2.1080 -2.213000 4.216000 
1 1 1   72    7   17 o   33.940   0.8963 1.341000 1.793000 
1 1 1   72    7   18 o   20.060   1.4210 3.570000 2.842000 
1 1 1   72    7   19 o   14.520   1.9380 -0.4320000E-02 3.875000 
1 1 1   72    7   20 o   11.960   2.0820 5.481000 4.164000 
1 1 1   72    7   21 o   8.5750   2.1860 2.593000 4.373000 
1 1 1   72    7   22 o   8.4310   2.1670 -3.064000 4.333000 
1 1 1   72    7   23 o   16.590   1.5900 -4.915000 3.179000 
1 1 1   72    7   24 o   11.710   2.1020 2.846000 4.204000 
1 1 1   72    8    0 o   15.300   2.3510 -0.000000 0.000000 
1 1 1   72    8    1 o   35.350   0.8165 1.493000 1.633000 
1 1 1   72    8    2 o   47.780   0.7598 -1.539000 1.520000 
1 1 1   72    8    3 o   24.130   1.0550 1.153000 2.111000 
1 1 1   72    8    4 o   12.610   1.9410 3.266000 3.882000 
1 1 1   72    8    5 o   37.460   0.7865 -0.2092000 1.573000 
1 1 1   72    8    6 o   12.860   1.9290 0.8971000 3.857000 
1 1 1   72    8    7 o   14.410   1.7450 -0.3162000 3.490000 
1 1 1   72    8    8 o   14.100   1.8640 -5.637000 3.728000 
1 1 1   72    8    9 o   6.2000   1.9650 -0.5630000 3.930000 
1 1 1   72    8   10 o   17.170   1.5850 -0.1387000 3.170000 
1 1 1   72    8   11 o   8.5110   1.8780 -7.606000 3.755000 
1 1 1   72    8   12 o   15.360   1.8350 2.560000 3.671000 
1 1 1   72    8   13 o   9.0170   2.2190 -4.149000 4.439000 
1 1 1   72    8   14 o   11.970   2.3010 -1.529000 4.601000 
1 1 1   72    8   15 o   24.780   1.1790 -0.7076000 2.357000 
1 1 1   72    8   16 o   27.910   1.0610 -0.3619000 2.121000 
1 1 1   72    8   17 o   10.060   2.2600 3.088000 4.520000 
1 1 1   72    8   18 o   14.580   1.9050 1.477000 3.810000 
1 1 1   72    8   19 o   7.2720   2.1440 1.101000 4.287000 
1 1 1   72    8   20 o   15.020   1.9090 5.100000 3.818000 
1 1 1   72    8   21 o   9.9490   2.1120 5.090000 4.224000 
1 1 1   72    8   22 o   7.5930   2.1200 1.855000 4.241000 
1 1 1   72    8   23 o   11.000   1.9300 7.924000 3.860000 
1 1 1   72    8   24 o   9.4740   2.4630 -4.229000 4.927000 
1 1 1   72    9    0 o   37.230   1.1680 -0.000000 0.000000 
1 1 1   72    9    1 o   9.6140   2.2220 2.811000 4.444000 
1 1 1   72    9    2 o   10.170   2.1440 4.849000 4.289000 
1 1 1   72    9    3 o   20.380   1.3380 -2.030000 2.677000 
1 1 1   72    9    4 o   17.820   1.5310 -2.928000 3.062000 
1 1 1   72    9    5 o   18.460   1.4210 0.3506000 2.842000 
1 1 1   72    9    6 o   9.4530   2.1690 -3.110000 4.338000 
1 1 1   72    9    7 o   20.500   1.2830 -0.9957000E-01 2.566000 
1 1 1   72    9    8 o   7.6760   2.1490 2.330000 4.299000 
1 1 1   72    9    9 o   6.6140   2.0650 0.2795000 4.129000 
1 1 1   72    9   10 o   9.2120   2.2960 1.768000 4.592000 
1 1 1   72    9   11 o   20.870   1.3670 1.252000 2.733000 
1 1 1   72    9   12 o   9.7790   2.2310 -4.477000 4.462000 
1 1 1   72    9   13 o   13.810   2.1240 -3.615000 4.248000 
1 1 1   72    9   14 o   20.740   1.5240 6.976000 3.047000 
1 1 1   72    9   15 o   18.330   1.6260 1.444000 3.252000 
1 1 1   72    9   16 o   28.200   1.0980 2.125000 2.196000 
1 1 1   72    9   17 o   6.2930   2.0130 1.215000 4.025000 
1 1 1   72    9   18 o   8.3430   2.2830 0.7014000 4.567000 
1 1 1   72    9   19 o   13.610   2.0500 4.931000 4.101000 
1 1 1   72    9   20 o   8.2160   2.2260 2.325000 4.451000 
1 1 1   72    9   21 o   10.330   2.3060 -0.5198000 4.612000 
1 1 1   72    9   22 o   8.8890   2.2650 -1.765000 4.529000 
1 1 1   72    9   23 o   6.5450   2.0420 0.4170000 4.084000 
1 1 1   72   10    0 o   21.290   1.8700 -0.000000 0.000000 
1 1 1   72   10    1 o   22.440   1.2350 0.4573000 2.469000 
1 1 1   72   10    2 o   23.270   1.1900 0.5790000 2.380000 
1 1 1   72   10    3 o   25.370   1.1370 1.426000 2.275000 
1 1 1   72   10    4 o   9.3080   2.2480 -3.605000 4.497000 
1 1 1   72   10    5 o   10.410   2.3220 0.7262000 4.643000 
1 1 1   72   10    6 o   12.850   2.1300 -3.524000 4.259000 
1 1 1   72   10    7 o   13.520   2.0800 -3.397000 4.160000 
1 1 1   72   10    8 o   11.450   1.9980 8.847000 3.995000 
1 1 1   72   10    9 o   9.9260   2.2920 -3.002000 4.584000 
1 1 1   72   10   10 o   8.0760   2.2740 1.015000 4.548000 
1 1 1   72   10   11 o   13.280   2.1450 -3.909000 4.289000 
1 1 1   72   10   12 o   19.900   1.5280 -0.5799000 3.056000 
1 1 1   72   10   13 o   30.290   1.0620 -2.844000 2.123000 
1 1 1   72   10   14 o   16.710   1.8600 -3.448000 3.721000 
1 1 1   72   10   15 o   13.720   2.1920 -3.393000 4.384000 
1 1 1   72   10   16 o   8.4650   2.3530 -0.3447000 4.707000 
1 1 1   72   10   17 o   9.0800   2.3610 -1.799000 4.722000 
1 1 1   72   10   18 o   9.7760   2.3540 -2.191000 4.707000 
1 1 1   72   10   19 o   8.9210   2.2440 -3.614000 4.488000 
1 1 1   72   10   20 f   12.020   2.1750 -1.494000 4.349000 
1 1 1   72   10   21 o   8.8550   2.2550 1.822000 4.510000 
1 1 1   72   10   22 o   8.8470   2.0300 6.615000 4.060000 
1 1 1   72   11    0 o   15.600   2.7580 -0.000000 0.000000 
1 1 1   72   11    1 o   19.370   1.5290 -1.781000 3.057000 
1 1 1   72   11    2 o   9.0980   2.3480 -2.131000 4.696000 
1 1 1   72   11    3 o   13.050   2.2130 0.5085000 4.426000 
1 1 1   72   11    4 o   22.450   1.3670 3.402000 2.733000 
1 1 1   72   11    5 o   22.640   1.3180 2.675000 2.636000 
1 1 1   72   11    6 o   17.000   1.8270 7.210000 3.654000 
1 1 1   72   11    7 o   19.450   1.5810 2.929000 3.163000 
1 1 1   72   11    8 o   14.350   2.0890 3.152000 4.177000 
1 1 1   72   11    9 o   10.560   2.2420 5.998000 4.483000 
1 1 1   72   11   10 o   14.500   2.0920 6.265000 4.185000 
1 1 1   72   11   11 o   30.090   1.0840 -2.211000 2.169000 
1 1 1   72   11   12 o   10.350   2.3950 3.375000 4.791000 
1 1 1   72   11   13 o   7.1170   2.1800 1.999000 4.360000 
1 1 1   72   11   14 o   15.940   1.9600 0.2974000 3.920000 
1 1 1   72   11   15 o   18.450   1.6500 -1.610000 3.300000 
1 1 1   72   11   16 o   7.8550   2.2950 1.238000 4.590000 
1 1 1   72   11   17 o   10.320   2.3670 -2.845000 4.734000 
1 1 1   72   11   18 o   10.660   2.3240 -2.645000 4.647000 
1 1 1   72   11   19 o   8.9490   2.3140 0.5397000 4.628000 
1 1 1   72   11   20 o   7.9000   2.2110 -0.9097000 4.423000 
1 1 1   72   11   21 o   14.690   1.8790 0.9312000 3.758000 
1 1 1   72   12    0 o   14.390   3.0340 -0.000000 0.000000 
1 1 1   72   12    1 o   10.230   2.2150 -6.257000 4.429000 
1 1 1   72   12    2 o   27.080   1.1650 0.1397000 2.331000 
1 1 1   72   12    3 o   12.170   2.3470 -3.819000 4.695000 
1 1 1   72   12    4 o   9.1960   2.4260 -1.600000 4.853000 
1 1 1   72   12    5 o   11.170   2.2720 6.227000 4.544000 
1 1 1   72   12    6 o   11.730   2.3740 2.324000 4.748000 
1 1 1   72   12    7 o   18.340   1.7150 4.812000 3.429000 
1 1 1   72   12    8 o   15.690   2.0370 -2.385000 4.074000 
1 1 1   72   12    9 o   33.510   1.0150 -0.1492000 2.031000 
1 1 1   72   12   10 o   9.2560   2.4460 1.426000 4.891000 
1 1 1   72   12   11 o   25.640   1.2230 0.2110000 2.446000 
1 1 1   72   12   12 o   15.990   2.8510      ?      ? 
1 1 1   72   12   13 o   6.9420   2.1780 0.5177000 4.355000 
1 1 1   72   12   14 o   9.5720   2.4110 -2.789000 4.823000 
1 1 1   72   12   15 o   9.8900   2.4030 3.703000 4.806000 
1 1 1   72   12   16 o   8.2000   2.3130 -2.361000 4.627000 
1 1 1   72   12   17 o   8.2750   2.2260 -3.395000 4.452000 
1 1 1   72   12   18 o   7.2420   2.1350 1.793000 4.269000 
1 1 1   72   12   19 o   11.710   2.2660 -1.161000 4.532000 
1 1 1   72   12   20 o   9.7590   2.3060 1.506000 4.611000 
1 1 1   72   13    0 o   8.6880   3.4350 -0.000000 0.000000 
1 1 1   72   13    1 o   19.230   1.6930 -2.572000 3.386000 
1 1 1   72   13    2 o   10.600   2.4590 0.9509000 4.918000 
1 1 1   72   13    3 o   21.380   1.5380 -3.374000 3.076000 
1 1 1   72   13    4 o   9.1880   2.4470 -1.552000 4.895000 
1 1 1   72   13    5 o   7.3260   2.2430 1.450000 4.485000 
1 1 1   72   13    6 f   20.280   1.6080 4.802000 3.216000 
1 1 1   72   13    7 o   28.630   1.1400 -2.777000 2.280000 
1 1 1   72   13    8 f   24.910   1.3330 -3.009000 2.667000 
1 1 1   72   13    9 o   9.2420   2.3340 5.371000 4.668000 
1 1 1   72   13   10 o   13.230   2.2700 -4.102000 4.539000 
1 1 1   72   13   11 o   6.6700   2.1380 -0.6245000 4.276000 
1 1 1   72   13   12 o   11.990   2.4820 -1.782000 4.964000 
1 1 1   72   13   13 o   10.990   2.4990 -0.2296000 4.997000 
1 1 1   72   13   14 o   7.0920   2.2120 -0.5287000 4.423000 
1 1 1   72   13   15 o   7.8870   2.3070 -0.9001000 4.614000 
1 1 1   72   13   16 o   11.050   2.3970 -1.991000 4.793000 
1 1 1   72   13   17 o   9.0580   2.3530 -0.1933000 4.705000 
1 1 1   72   13   18 o   13.080   2.0070 4.544000 4.015000 
1 1 1   72   13   19 o   9.2810   4.1060      ?      ? 
1 1 1   72   14    0 o   31.870   1.5010 -0.000000 0.000000 
1 1 1   72   14    1 o   13.490   2.2100 7.928000 4.421000 
1 1 1   72   14    2 o   28.840   1.1730 2.534000 2.345000 
1 1 1   72   14    3 f   17.030   1.9820 3.288000 3.964000 
1 1 1   72   14    4 o   9.4660   2.4980 1.510000 4.996000 
1 1 1   72   14    5 o   8.4900   2.3260 3.343000 4.652000 
1 1 1   72   14    6 f   15.740   2.0740 -1.275000 4.149000 
1 1 1   72   14    7 f   6.2570   2.0470 -0.2358000 4.094000 
1 1 1   72   14    8 o   12.050   2.4770 -1.126000 4.954000 
1 1 1   72   14    9 o   11.960   2.3180 -6.580000 4.636000 
1 1 1   72   14   10 o   10.460   2.4570 3.690000 4.914000 
1 1 1   72   14   11 o   10.630   2.5110 2.394000 5.021000 
1 1 1   72   14   12 o   10.320   2.4540 -2.488000 4.909000 
1 1 1   72   14   13 o   6.4710   2.0410 3.986000 4.082000 
1 1 1   72   14   14 o   11.850   2.4250 0.1587000E-01 4.849000 
1 1 1   72   14   15 o   16.270   1.8900 2.140000 3.779000 
1 1 1   72   14   16 o   11.510   2.1320 -6.078000 4.264000 
1 1 1   72   14   17 o   13.020   2.0820 3.741000 4.164000 
1 1 1   72   15    0 o   11.030   3.6240 -0.000000 0.000000 
1 1 1   72   15    1 o   13.910   2.3680 -2.695000 4.736000 
1 1 1   72   15    2 o   10.780   2.5880 -1.779000 5.175000 
1 1 1   72   15    3 o   8.5150   2.4170 2.736000 4.835000 
1 1 1   72   15    4 o   8.1150   2.3560 -2.872000 4.711000 
1 1 1   72   15    5 o   9.5780   2.5300 1.956000 5.060000 
1 1 1   72   15    6 o   9.9080   2.5160 1.021000 5.031000 
1 1 1   72   15    7 o   9.8000   2.2610 -7.002000 4.523000 
1 1 1   72   15    8 o   16.710   2.0100 2.489000 4.020000 
1 1 1   72   15    9 o   7.3880   2.2230 -2.789000 4.446000 
1 1 1   72   15   10 o   18.160   1.9440 -6.172000 3.888000 
1 1 1   72   15   11 o   6.0380   2.0090 0.6215000 4.017000 
1 1 1   72   15   12 o   12.400   2.2740 -4.076000 4.548000 
1 1 1   72   15   13 o   11.390   2.2380 3.515000 4.476000 
1 1 1   72   15   14 o   9.4260   2.2680 -4.366000 4.535000 
1 1 1   72   15   15 o   7.5360   2.0620 4.462000 4.123000 
1 1 1   72   16    0 o   8.3810   3.4580 -0.000000 0.000000 
1 1 1   72   16    1 o   7.8370   2.3730 -0.9221000 4.746000 
1 1 1   72   16    2 o   7.4690   2.2650 3.818000 4.530000 
1 1 1   72   16    3 f   9.6260   2.4730 -4.197000 4.945000 
1 1 1   72   16    4 o   10.010   2.3520 -6.758000 4.704000 
1 1 1   72   16    5 o   14.750   2.3080 4.601000 4.617000 
1 1 1   72   16    6 o   11.480   2.4700 -4.478000 4.939000 
1 1 1   72   16    7 o   12.730   2.1170 9.856000 4.233000 
1 1 1   72   16    8 o   12.450   2.3620 1.390000 4.725000 
1 1 1   72   16    9 o   8.8100   2.2910 2.938000 4.582000 
1 1 1   72   16   10 o   8.3930   2.2500 3.547000 4.499000 
1 1 1   72   16   11 o   10.670   2.2820 -5.372000 4.564000 
1 1 1   72   16   12 o   11.900   2.1930 4.590000 4.385000 
1 1 1   72   16   13 o   6.4780   2.0610 0.6617000 4.123000 
1 1 1   72   17    0 o   14.400   3.1950 -0.000000 0.000000 
1 1 1   72   17    1 o   13.000   2.1550 9.571000 4.310000 
1 1 1   72   17    2 o   7.9450   2.2960 2.891000 4.592000 
1 1 1   72   17    3 o   9.6700   2.3320 5.668000 4.664000 
1 1 1   72   17    4 o   6.8010   2.1350 -2.395000 4.270000 
1 1 1   72   17    5 o   8.0040   2.2850 0.6639000E-01 4.569000 
1 1 1   72   17    6 o   7.8480   2.2680 -0.2462000 4.536000 
1 1 1   72   17    7 o   9.1400   2.3110 -4.138000 4.622000 
1 1 1   72   17    8 f   8.4110   2.2970 -3.087000 4.593000 
1 1 1   72   17    9 o   9.2260   2.3550 1.197000 4.710000 
1 1 1   72   17   10 o   9.5770   2.2290 -5.884000 4.458000 
1 1 1   72   18    0 o   9.0870   3.2720 -0.000000 0.000000 
1 1 1   72   18    1 o   9.2940   3.2740      ?      ? 
1 1 1   72   18    2 o   8.1850   2.3280 -1.904000 4.656000 
1 1 1   72   18    3 o   8.9850   2.3730 -0.4913000E-01 4.745000 
1 1 1   72   18    4 o   6.4590   2.0390 1.026000 4.077000 
1 1 1   72   18    5 o   6.9280   2.1480 -1.437000 4.297000 
1 1 1   72   18    6 o   12.850   3.0960 3.612000 6.192000 
1 1 1   73    0    1 o   8.3890   3.0150 -0.000000 0.000000 
1 1 1   73    0    2 o   9.2500   2.9980 -0.000000 0.000000 
1 1 1   73    0    3 o   11.880   2.8080 -0.000000 0.000000 
1 1 1   73    0    4 o   24.580   1.4770 -0.000000 0.000000 
1 1 1   73    0    5 o   37.020   1.1320 -0.000000 0.000000 
1 1 1   73    0    6 o   48.500   1.0580 -0.000000 0.000000 
1 1 1   73    0    7 o   8.7490   3.0610 -0.000000 0.000000 
1 1 1   73    0    8 o   62.190   1.1200 -0.000000 0.000000 
1 1 1   73    0    9 o   26.510   1.4070 -0.000000 0.000000 
1 1 1   73    0   10 o   37.630   1.1080 -0.000000 0.000000 
1 1 1   73    0   11 o   48.010   1.0760 -0.000000 0.000000 
1 1 1   73    0   12 o   18.070   2.0580 -0.000000 0.000000 
1 1 1   73    0   13 o   7.5250   3.0770 -0.000000 0.000000 
1 1 1   73    0   14 o   16.680   2.4800 -0.000000 0.000000 
1 1 1   73    0   15 f   9.9020   3.3370 -0.000000 0.000000 
1 1 1   73    0   16 o   13.290   3.1200 -0.000000 0.000000 
1 1 1   73    0   17 o   10.470   3.4100 -0.000000 0.000000 
1 1 1   73    0   18 o   8.7600   3.3310 -0.000000 0.000000 
1 1 1   73    0   19 o   11.450   3.3000 -0.000000 0.000000 
1 1 1   73    0   20 o   27.220   1.5060 -0.000000 0.000000 
1 1 1   73    0   21 o   19.240   1.9720 -0.000000 0.000000 
1 1 1   73    0   22 o   7.9130   3.1150 -0.000000 0.000000 
1 1 1   73    0   23 o   10.840   3.0690 -0.000000 0.000000 
1 1 1   73    0   24 o   16.510   2.1680 -0.000000 0.000000 
1 1 1   73    0   25 o   20.850   1.7310 -0.000000 0.000000 
1 1 1   73    0   26 o   18.460   1.8170 -0.000000 0.000000 
1 1 1   73    1    0 o   4.8200   2.2050 -0.000000 0.000000 
1 1 1   73    1    1 o   34.870   0.8034 2.911000 1.607000 
1 1 1   73    1    2 o   19.990   1.0220 -0.3102000 2.043000 
1 1 1   73    1    3 o   19.020   1.0930 0.9050000 2.187000 
1 1 1   73    1    4 o   19.300   1.0870 -0.7030000 2.174000 
1 1 1   73    1    5 o   55.710   0.6807 -3.349000 1.361000 
1 1 1   73    1    6 o   40.580   0.6810 -1.477000 1.362000 
1 1 1   73    1    7 o   27.320   0.8326 -1.925000 1.665000 
1 1 1   73    1    8 o   21.380   1.1980 1.097000 2.396000 
1 1 1   73    1    9 o   15.870   1.6690 6.979000 3.339000 
1 1 1   73    1   10 o   25.070   1.0490 2.483000 2.098000 
1 1 1   73    1   11 o   24.660   1.0790 -2.705000 2.158000 
1 1 1   73    1   12 o   16.880   1.6710 -6.327000 3.342000 
1 1 1   73    1   13 o   31.870   0.9324 3.914000 1.865000 
1 1 1   73    1   14 o   22.910   1.2620 1.437000 2.524000 
1 1 1   73    1   15 o   6.6740   2.0380 -2.829000 4.076000 
1 1 1   73    1   16 o   20.440   1.4610 1.704000 2.922000 
1 1 1   73    1   17 o   30.240   1.0230 -1.296000 2.047000 
1 1 1   73    1   18 o   11.850   2.3590 -1.023000 4.719000 
1 1 1   73    1   19 o   12.630   2.1880 4.024000 4.377000 
1 1 1   73    1   20 o   6.1190   1.9620 1.694000 3.924000 
1 1 1   73    1   21 o   9.6300   2.1950 -4.608000 4.390000 
1 1 1   73    1   22 o   8.3510   2.2260 1.834000 4.452000 
1 1 1   73    1   23 o   7.9900   2.1750 1.249000 4.350000 
1 1 1   73    1   24 o   9.9920   2.1690 -2.511000 4.338000 
1 1 1   73    1   25 o   8.0410   2.1360 0.1016000 4.272000 
1 1 1   73    1   26 o   6.9660   2.0370 -0.7522000 4.074000 
1 1 1   73    2    0 o   7.0170   2.6030 -0.000000 0.000000 
1 1 1   73    2    1 o   38.730   0.5907 -0.8799000 1.181000 
1 1 1   73    2    2 o   20.290   0.8905 -2.465000 1.781000 
1 1 1   73    2    3 o   7.2070   1.8320 1.519000 3.664000 
1 1 1   73    2    4 o   41.460   0.5844 0.5917000 1.169000 
1 1 1   73    2    5 o   28.050   0.7207 0.2961000E-01 1.441000 
1 1 1   73    2    6 o   35.350   0.6244 0.3718000 1.249000 
1 1 1   73    2    7 o   42.260   0.5893 -0.5364000 1.179000 
1 1 1   73    2    8 o   31.990   0.6739 -0.8944000 1.348000 
1 1 1   73    2    9 o   7.7500   1.9260 -1.239000 3.851000 
1 1 1   73    2   10 o   43.000   0.6056 -0.8594000E-01 1.211000 
1 1 1   73    2   11 o   14.340   1.4400 4.606000 2.881000 
1 1 1   73    2   12 o   11.320   1.8000 1.665000 3.601000 
1 1 1   73    2   13 o   17.180   1.2070 2.659000 2.414000 
1 1 1   73    2   14 o   14.870   1.4750 -4.690000 2.950000 
1 1 1   73    2   15 f   20.680   1.1990 -0.3434000 2.398000 
1 1 1   73    2   16 o   19.750   1.2460 0.4934000E-01 2.493000 
1 1 1   73    2   17 o   9.7650   2.1310 2.485000 4.261000 
1 1 1   73    2   18 f   10.540   2.1360 1.624000 4.272000 
1 1 1   73    2   19 o   15.970   1.5910 -2.844000 3.182000 
1 1 1   73    2   20 o   12.900   1.9470 5.156000 3.893000 
1 1 1   73    2   21 o   9.9490   2.0420 2.848000 4.084000 
1 1 1   73    2   22 o   19.220   1.4630 0.3605000 2.927000 
1 1 1   73    2   23 o   15.720   1.6920 1.637000 3.384000 
1 1 1   73    2   24 o   12.910   1.9680 0.9886000 3.936000 
1 1 1   73    2   25 o   10.140   2.0260 -5.467000 4.053000 
1 1 1   73    2   26 o   14.090   1.7990 3.127000 3.597000 
1 1 1   73    3    0 o   71.870   1.1770 -0.000000 0.000000 
1 1 1   73    3    1 o   15.570   1.4210 -1.614000 2.843000 
1 1 1   73    3    2 o   12.310   1.7090 1.600000 3.419000 
1 1 1   73    3    3 o   34.910   0.7160 -1.101000 1.432000 
1 1 1   73    3    4 o   32.400   0.7101 1.065000 1.420000 
1 1 1   73    3    5 o   21.690   0.9624 -0.2371000E-01 1.925000 
1 1 1   73    3    6 o   32.530   0.7043 -3.877000 1.409000 
1 1 1   73    3    7 o   21.450   0.9580 0.8875000 1.916000 
1 1 1   73    3    8 o   14.790   1.4010 -1.249000 2.802000 
1 1 1   73    3    9 o   29.830   0.7694 -1.173000 1.539000 
1 1 1   73    3   10 o   49.860   0.6703 3.299000 1.341000 
1 1 1   73    3   11 o   34.190   0.6666 -1.065000 1.333000 
1 1 1   73    3   12 o   15.530   1.3440 0.6088000 2.689000 
1 1 1   73    3   13 o   30.090   0.7568 2.941000 1.514000 
1 1 1   73    3   14 o   8.4610   1.8650 4.756000 3.730000 
1 1 1   73    3   15 o   31.850   0.7552 1.023000 1.510000 
1 1 1   73    3   16 o   7.9100   2.0300 -2.600000 4.060000 
1 1 1   73    3   17 o   27.990   0.8353 3.626000 1.671000 
1 1 1   73    3   18 o   14.290   1.9830 -8.316000 3.967000 
1 1 1   73    3   19 o   19.020   1.1760 -1.403000 2.352000 
1 1 1   73    3   20 o   11.120   1.9660 1.473000 3.933000 
1 1 1   73    3   21 o   12.690   1.7720 1.780000 3.544000 
1 1 1   73    3   22 o   14.420   1.7190 2.281000 3.437000 
1 1 1   73    3   23 o   11.680   1.9530 -1.113000 3.905000 
1 1 1   73    3   24 o   14.810   1.5010 -4.639000 3.002000 
1 1 1   73    3   25 o   8.4280   2.0470 0.6364000 4.093000 
1 1 1   73    3   26 o   6.6520   3.0230      ?      ? 
1 1 1   73    4    0 o   60.100   1.0570 -0.000000 0.000000 
1 1 1   73    4    1 o   11.330   1.7930 -6.127000 3.587000 
1 1 1   73    4    2 o   34.490   0.7419 -1.173000 1.484000 
1 1 1   73    4    3 o   33.360   0.7655 0.5618000E-01 1.531000 
1 1 1   73    4    4 f   26.150   0.8849 -0.2003000 1.770000 
1 1 1   73    4    5 o   25.430   0.8943 0.9064000 1.789000 
1 1 1   73    4    6 o   19.470   1.1640 0.4520000 2.327000 
1 1 1   73    4    7 o   25.740   0.9255 3.825000 1.851000 
1 1 1   73    4    8 o   8.2770   2.0830 -0.1865000 4.166000 
1 1 1   73    4    9 o   25.330   0.9348 -1.162000 1.870000 
1 1 1   73    4   10 f   47.950   0.7321 0.8477000 1.464000 
1 1 1   73    4   11 o   13.720   1.7710 3.621000 3.542000 
1 1 1   73    4   12 o   6.3600   1.9660 -0.9823000 3.932000 
1 1 1   73    4   13 o   18.910   1.4030 4.181000 2.807000 
1 1 1   73    4   14 o   7.3610   2.0470 3.327000 4.094000 
1 1 1   73    4   15 o   41.370   1.1010      ?      ? 
1 1 1   73    4   16 o   10.650   2.1110 1.208000 4.222000 
1 1 1   73    4   17 o   12.530   1.9670 2.827000 3.934000 
1 1 1   73    4   18 o   12.730   1.9520 -0.6418000 3.903000 
1 1 1   73    4   19 o   21.060   1.1940 0.5762000E-01 2.389000 
1 1 1   73    4   20 o   13.370   1.8730 4.045000 3.747000 
1 1 1   73    4   21 o   16.760   1.5410 3.952000 3.082000 
1 1 1   73    4   22 o   7.6280   2.1110 -1.381000 4.221000 
1 1 1   73    4   23 o   8.3100   1.9300 2.957000 3.860000 
1 1 1   73    4   24 f   10.450   1.8410 1.389000 3.681000 
1 1 1   73    4   25 o   7.0590   1.9150 -0.5738000 3.831000 
1 1 1   73    5    0 o   12.310   2.6870 -0.000000 0.000000 
1 1 1   73    5    1 f   39.270   0.7290 -1.362000 1.458000 
1 1 1   73    5    2 o   9.9990   2.0620 2.304000 4.125000 
1 1 1   73    5    3 o   11.500   1.9030 2.811000 3.806000 
1 1 1   73    5    4 o   42.230   0.7217 -1.830000 1.443000 
1 1 1   73    5    5 o   16.270   1.4020 1.714000 2.805000 
1 1 1   73    5    6 o   29.560   0.8405 -2.790000 1.681000 
1 1 1   73    5    7 o   31.460   0.8055 -0.8981000E-01 1.611000 
1 1 1   73    5    8 o   17.510   1.3250 -0.2346000 2.650000 
1 1 1   73    5    9 o   49.110   0.7454 -3.756000 1.491000 
1 1 1   73    5   10 o   20.770   1.1920 4.855000 2.384000 
1 1 1   73    5   11 o   34.530   0.8038 -3.170000 1.608000 
1 1 1   73    5   12 o   13.840   1.8530 1.169000 3.706000 
1 1 1   73    5   13 o   41.490   0.7740 -0.7044000 1.548000 
1 1 1   73    5   14 o   34.390   0.8423 -0.2361000 1.685000 
1 1 1   73    5   15 o   14.660   1.8570 1.435000 3.715000 
1 1 1   73    5   16 o   8.2050   2.1080 -4.446000 4.217000 
1 1 1   73    5   17 o   23.930   1.1470 2.035000 2.294000 
1 1 1   73    5   18 o   14.280   1.9360 -1.064000 3.873000 
1 1 1   73    5   19 o   9.6490   2.2820 -1.805000 4.564000 
1 1 1   73    5   20 o   19.950   1.8760      ?      ? 
1 1 1   73    5   21 o   10.770   2.1620 -3.234000 4.324000 
1 1 1   73    5   22 o   15.590   1.6450 -1.823000 3.290000 
1 1 1   73    5   23 o   8.6060   1.9870 -5.183000 3.973000 
1 1 1   73    5   24 o   9.1070   2.1110 -1.279000 4.223000 
1 1 1   73    5   25 o   10.510   1.9990 2.324000 3.999000 
1 1 1   73    6    0 o   11.530   2.7710 -0.000000 0.000000 
1 1 1   73    6    1 o   55.070   0.7393 0.4852000 1.479000 
1 1 1   73    6    2 o   48.870   0.7221 2.200000 1.444000 
1 1 1   73    6    3 o   46.050   0.7286 2.842000 1.457000 
1 1 1   73    6    4 o   43.190   0.7257 -1.256000 1.451000 
1 1 1   73    6    5 f   34.620   0.7845 -0.9257000 1.569000 
1 1 1   73    6    6 f   30.910   0.8327 0.1480000 1.665000 
1 1 1   73    6    7 f   22.110   1.0680 1.414000 2.136000 
1 1 1   73    6    8 o   19.010   1.2930 -3.217000 2.585000 
1 1 1   73    6    9 o   22.050   1.1630 -0.9852000 2.326000 
1 1 1   73    6   10 f   40.430   0.7922 -0.2845000 1.584000 
1 1 1   73    6   11 o   11.810   2.0710 2.491000 4.142000 
1 1 1   73    6   12 o   21.390   1.2180 -1.417000 2.436000 
1 1 1   73    6   13 o   26.340   1.0340 0.7188000 2.068000 
1 1 1   73    6   14 o   19.970   1.4060 -5.841000 2.811000 
1 1 1   73    6   15 o   14.670   1.9160 3.036000 3.833000 
1 1 1   73    6   16 o   24.520   1.1480 -0.9166000 2.297000 
1 1 1   73    6   17 o   15.760   1.8260 1.210000 3.652000 
1 1 1   73    6   18 o   6.5890   2.0510 -1.001000 4.102000 
1 1 1   73    6   19 o   12.130   2.1520 3.895000 4.305000 
1 1 1   73    6   20 o   12.040   2.1320 -3.790000 4.263000 
1 1 1   73    6   21 o   6.9420   2.0950 0.1676000 4.191000 
1 1 1   73    6   22 o   10.480   2.1480 3.377000 4.297000 
1 1 1   73    6   23 o   7.4270   2.1330 0.9945000 4.265000 
1 1 1   73    6   24 o   14.660   1.7840 2.863000 3.567000 
1 1 1   73    7    0 o   11.100   2.8670 -0.000000 0.000000 
1 1 1   73    7    1 o   15.350   1.6960 7.202000 3.392000 
1 1 1   73    7    2 o   37.870   0.7760 2.130000 1.552000 
1 1 1   73    7    3 o   21.320   1.1360 -0.7760000 2.272000 
1 1 1   73    7    4 o   68.330   0.8261 1.342000 1.652000 
1 1 1   73    7    5 f   12.350   1.9530 3.289000 3.905000 
1 1 1   73    7    6 o   7.0100   2.0200 -2.439000 4.040000 
1 1 1   73    7    7 o   28.560   0.9109 0.1616000E-01 1.822000 
1 1 1   73    7    8 o   14.100   1.8060 -3.046000 3.611000 
1 1 1   73    7    9 o   6.7090   2.0260 0.7723000 4.052000 
1 1 1   73    7   10 o   8.6950   2.1650 3.752000 4.330000 
1 1 1   73    7   11 o   27.020   0.9885 1.811000 1.977000 
1 1 1   73    7   12 o   26.550   1.0300 -2.126000 2.060000 
1 1 1   73    7   13 o   29.170   0.9994 0.7854000 1.999000 
1 1 1   73    7   14 o   8.0250   2.1940 -3.620000 4.387000 
1 1 1   73    7   15 o   25.400   1.1600 -2.765000 2.320000 
1 1 1   73    7   16 o   30.120   0.9683 -2.877000 1.937000 
1 1 1   73    7   17 o   12.510   2.1660 1.126000 4.333000 
1 1 1   73    7   18 o   11.370   2.3020 -1.937000 4.603000 
1 1 1   73    7   19 o   11.580   2.2210 1.654000 4.441000 
1 1 1   73    7   20 o   18.800   1.4730 -1.934000 2.945000 
1 1 1   73    7   21 f   7.6070   2.1440 1.753000 4.287000 
1 1 1   73    7   22 o   6.0460   1.9300 -1.183000 3.860000 
1 1 1   73    7   23 o   11.720   2.0600 3.226000 4.120000 
1 1 1   73    7   24 o   6.5120   1.9930 1.163000 3.986000 
1 1 1   73    8    0 o   17.760   2.0250 -0.000000 0.000000 
1 1 1   73    8    1 o   35.440   0.8446 6.075000 1.689000 
1 1 1   73    8    2 o   28.270   0.9594 2.491000 1.919000 
1 1 1   73    8    3 o   27.200   0.9987 -0.5074000 1.997000 
1 1 1   73    8    4 o   26.670   1.0090 2.739000 2.019000 
1 1 1   73    8    5 o   8.6180   2.2060 1.295000 4.412000 
1 1 1   73    8    6 o   7.4750   3.0060      ?      ? 
1 1 1   73    8    7 o   12.540   2.0040 0.8450000 4.007000 
1 1 1   73    8    8 o   29.500   0.9241 -0.8535000 1.848000 
1 1 1   73    8    9 o   10.570   2.2470 1.741000 4.493000 
1 1 1   73    8   10 o   24.530   1.1200 1.278000 2.240000 
1 1 1   73    8   11 o   19.710   1.3930 1.171000 2.786000 
1 1 1   73    8   12 o   7.6700   2.1730 -3.040000 4.347000 
1 1 1   73    8   13 o   6.3470   2.0300 -0.8561000 4.060000 
1 1 1   73    8   14 o   12.980   2.1390 5.065000 4.279000 
1 1 1   73    8   15 o   27.700   1.0950 2.789000 2.191000 
1 1 1   73    8   16 o   13.890   2.8750      ?      ? 
1 1 1   73    8   17 o   9.8820   2.2880 2.934000 4.575000 
1 1 1   73    8   18 o   29.210   1.0060 1.161000 2.012000 
1 1 1   73    8   19 o   12.630   1.8070 -11.77000 3.615000 
1 1 1   73    8   20 o   10.190   2.1700 -5.433000 4.340000 
1 1 1   73    8   21 o   9.6300   2.2570 0.8529000 4.514000 
1 1 1   73    8   22 o   18.860   1.3780 2.687000 2.756000 
1 1 1   73    8   23 o   6.7130   2.0330 -1.792000 4.067000 
1 1 1   73    9    0 f   12.550   2.9800 -0.000000 0.000000 
1 1 1   73    9    1 o   40.500   0.7954 1.165000 1.591000 
1 1 1   73    9    2 o   9.7420   2.1390 -4.904000 4.277000 
1 1 1   73    9    3 o   16.740   1.6200 -3.035000 3.239000 
1 1 1   73    9    4 o   9.3090   2.0810 -5.616000 4.162000 
1 1 1   73    9    5 o   11.740   2.1570 2.144000 4.314000 
1 1 1   73    9    6 o   16.510   1.7120 -4.918000 3.423000 
1 1 1   73    9    7 o   35.080   0.8778 1.905000 1.756000 
1 1 1   73    9    8 o   26.950   1.0390 5.066000 2.078000 
1 1 1   73    9    9 o   17.560   1.5640 1.791000 3.128000 
1 1 1   73    9   10 o   16.690   1.7340 5.957000 3.468000 
1 1 1   73    9   11 o   14.290   2.0340 0.9738000 4.068000 
1 1 1   73    9   12 o   17.250   1.7450 0.4337000 3.490000 
1 1 1   73    9   13 o   13.260   2.1610 -0.8924000 4.323000 
1 1 1   73    9   14 o   18.900   1.6310 2.263000 3.262000 
1 1 1   73    9   15 o   29.250   1.0840 3.685000 2.168000 
1 1 1   73    9   16 o   18.020   1.6880 -2.764000 3.375000 
1 1 1   73    9   17 o   9.9020   2.2830 4.625000 4.565000 
1 1 1   73    9   18 o   13.890   2.0270 6.175000 4.054000 
1 1 1   73    9   19 o   13.050   2.0480 7.786000 4.097000 
1 1 1   73    9   20 o   6.6720   2.0660 -0.2941000 4.132000 
1 1 1   73    9   21 o   11.670   1.8450 10.31000 3.691000 
1 1 1   73    9   22 o   7.6080   2.1850 1.598000 4.369000 
1 1 1   73   10    0 o   13.560   2.9580 -0.000000 0.000000 
1 1 1   73   10    1 o   19.320   1.4640 -0.1427000E-01 2.927000 
1 1 1   73   10    2 o   17.940   1.6390 5.425000 3.278000 
1 1 1   73   10    3 o   35.480   0.8960 2.143000 1.792000 
1 1 1   73   10    4 o   9.1730   2.3560 1.359000 4.712000 
1 1 1   73   10    5 o   20.410   1.3700 -1.152000 2.740000 
1 1 1   73   10    6 o   8.6620   2.2510 3.558000 4.502000 
1 1 1   73   10    7 o   9.3240   2.3590 1.124000 4.718000 
1 1 1   73   10    8 o   31.240   0.9781 4.783000 1.956000 
1 1 1   73   10    9 o   17.540   1.6540 1.737000 3.309000 
1 1 1   73   10   10 o   8.2960   2.3130 -1.026000 4.627000 
1 1 1   73   10   11 o   11.090   2.2330 -5.031000 4.467000 
1 1 1   73   10   12 o   6.4850   2.0670 -1.935000 4.134000 
1 1 1   73   10   13 o   6.8570   2.1460 -0.8099000 4.293000 
1 1 1   73   10   14 o   9.9650   2.4240 -0.5538000 4.849000 
1 1 1   73   10   15 o   9.0630   2.3560 2.268000 4.711000 
1 1 1   73   10   16 o   9.8510   2.3760 -2.623000 4.751000 
1 1 1   73   10   17 o   9.4580   2.3390 3.237000 4.678000 
1 1 1   73   10   18 o   13.180   2.1650 -3.526000 4.330000 
1 1 1   73   10   19 o   11.570   2.2700 1.069000 4.541000 
1 1 1   73   10   20 o   16.280   1.6760 -2.923000 3.352000 
1 1 1   73   10   21 o   6.1520   2.7910      ?      ? 
1 1 1   73   10   22 o   13.250   2.4820 -0.5096000 4.963000 
1 1 1   73   11    0 o   58.420   1.1730 -0.000000 0.000000 
1 1 1   73   11    1 o   13.820   2.1970 -1.540000 4.395000 
1 1 1   73   11    2 o   21.000   1.4640 2.888000 2.928000 
1 1 1   73   11    3 f   9.2450   2.3030 -3.952000 4.606000 
1 1 1   73   11    4 o   26.170   1.1980 -3.107000 2.397000 
1 1 1   73   11    5 o   27.760   1.1160 -0.1288000 2.232000 
1 1 1   73   11    6 o   27.050   1.1460 1.204000 2.293000 
1 1 1   73   11    7 o   12.850   2.1620 7.131000 4.323000 
1 1 1   73   11    8 o   20.020   1.5570 -2.587000 3.113000 
1 1 1   73   11    9 o   15.230   2.0260 0.2056000 4.053000 
1 1 1   73   11   10 o   12.340   2.2070 5.974000 4.414000 
1 1 1   73   11   11 o   6.9860   3.1100      ?      ? 
1 1 1   73   11   12 o   8.4030   2.0880 7.462000 4.175000 
1 1 1   73   11   13 o   8.3890   2.2600 -4.379000 4.520000 
1 1 1   73   11   14 o   11.390   2.4090 0.2769000 4.819000 
1 1 1   73   11   15 o   7.4920   2.2540 1.545000 4.508000 
1 1 1   73   11   16 o   9.6140   2.3070 -4.277000 4.615000 
1 1 1   73   11   17 o   15.800   1.9670 -3.213000 3.935000 
1 1 1   73   11   18 o   9.0620   2.3190 0.4321000 4.638000 
1 1 1   73   11   19 o   15.330   1.7910 -0.3023000 3.583000 
1 1 1   73   11   20 o   7.5590   2.1700 1.430000 4.341000 
1 1 1   73   11   21 o   8.6420   2.5760 -2.674000 5.152000 
1 1 1   73   12    1 o   12.140   2.3820 2.769000 4.765000 
1 1 1   73   12    2 o   11.990   2.3380 2.625000 4.675000 
1 1 1   73   12    3 o   29.430   1.0980 -0.3873000 2.196000 
1 1 1   73   12    4 o   10.120   2.3270 4.649000 4.654000 
1 1 1   73   12    5 o   11.240   2.4090 -2.330000 4.817000 
1 1 1   73   12    6 f   9.6300   2.2310 5.915000 4.463000 
1 1 1   73   12    7 o   10.760   2.4030 2.847000 4.807000 
1 1 1   73   12    8 o   12.580   2.3070 4.549000 4.614000 
1 1 1   73   12    9 o   11.270   2.4380 -2.574000 4.876000 
1 1 1   73   12   10 o   15.770   2.0480 -0.8180000 4.096000 
1 1 1   73   12   11 o   8.0380   2.3190 1.179000 4.637000 
1 1 1   73   12   12 o   10.820   2.4860 0.1147000 4.972000 
1 1 1   73   12   13 o   8.7780   2.2810 5.452000 4.562000 
1 1 1   73   12   14 o   7.8080   2.2180 -3.338000 4.437000 
1 1 1   73   12   15 o   10.890   2.1020 -8.319000 4.204000 
1 1 1   73   12   16 o   14.180   2.1480 1.933000 4.296000 
1 1 1   73   12   17 o   12.200   2.2750 1.934000 4.550000 
1 1 1   73   12   18 o   11.870   2.2050 2.531000 4.409000 
1 1 1   73   12   19 o   10.150   2.0250 -6.775000 4.050000 
1 1 1   73   13    0 o   9.1280   3.5110 -0.000000 0.000000 
1 1 1   73   13    1 o   27.410   1.1980 -1.993000 2.396000 
1 1 1   73   13    2 o   15.870   2.0820 -2.439000 4.165000 
1 1 1   73   13    3 o   23.160   1.4060 -2.313000 2.813000 
1 1 1   73   13    4 o   22.050   1.4900 -2.603000 2.980000 
1 1 1   73   13    5 o   12.760   2.3770 -3.329000 4.753000 
1 1 1   73   13    6 o   11.220   2.4500 -2.011000 4.900000 
1 1 1   73   13    7 o   7.3350   2.2410 0.1327000 4.482000 
1 1 1   73   13    8 o   11.780   2.2590 -6.919000 4.519000 
1 1 1   73   13    9 o   10.040   2.4650 -2.915000 4.930000 
1 1 1   73   13   10 o   7.6110   2.2550 3.246000 4.510000 
1 1 1   73   13   11 o   11.080   2.1050 -8.838000 4.209000 
1 1 1   73   13   12 o   11.880   2.4800 0.7117000 4.961000 
1 1 1   73   13   13 o   7.5420   2.2740 -0.9671000 4.547000 
1 1 1   73   13   14 o   8.6390   2.4060 -1.233000 4.812000 
1 1 1   73   13   15 o   8.8030   2.2140 5.408000 4.429000 
1 1 1   73   13   16 o   8.8340   2.3130 2.955000 4.627000 
1 1 1   73   13   17 o   12.160   2.3170 0.2149000 4.634000 
1 1 1   73   13   18 o   8.0110   2.2640 1.283000 4.528000 
1 1 1   73   14    0 o   8.9340   3.4780 -0.000000 0.000000 
1 1 1   73   14    1 o   13.550   2.3650 1.852000 4.730000 
1 1 1   73   14    2 f   25.890   1.2560 -0.6582000 2.511000 
1 1 1   73   14    3 o   18.770   1.7880 -3.186000 3.576000 
1 1 1   73   14    4 o   14.550   2.1770 2.250000 4.355000 
1 1 1   73   14    5 o   8.8480   2.4160 2.836000 4.833000 
1 1 1   73   14    6 o   21.950   1.4790 -3.435000 2.957000 
1 1 1   73   14    7 o   9.4420   2.2350 6.640000 4.470000 
1 1 1   73   14    8 o   8.2580   2.3300 3.794000 4.660000 
1 1 1   73   14    9 o   14.590   2.2680 -2.823000 4.535000 
1 1 1   73   14   10 o   18.210   1.8210 -1.650000 3.642000 
1 1 1   73   14   11 o   7.6000   2.2980 1.909000 4.595000 
1 1 1   73   14   12 o   7.4650   2.2740 -0.1257000 4.549000 
1 1 1   73   14   13 o   11.790   2.3780 1.853000 4.757000 
1 1 1   73   14   14 o   8.8480   2.3510 2.734000 4.701000 
1 1 1   73   14   15 o   11.230   2.3840 -0.5810000 4.769000 
1 1 1   73   14   16 o   9.3880   2.2060 4.221000 4.411000 
1 1 1   73   14   17 o   11.860   4.6430      ?      ? 
1 1 1   73   15    0 o   7.1520   3.1580 -0.000000 0.000000 
1 1 1   73   15    1 f   9.8690   2.5210 -2.756000 5.042000 
1 1 1   73   15    2 f   8.4580   2.4370 -2.583000 4.875000 
1 1 1   73   15    3 o   16.170   2.1320 2.096000 4.264000 
1 1 1   73   15    4 f   19.620   1.7610 3.184000 3.523000 
1 1 1   73   15    5 o   19.670   1.8560 -8.977000 3.712000 
1 1 1   73   15    6 o   10.670   2.4260 5.546000 4.851000 
1 1 1   73   15    7 o   9.3520   2.5170 0.8108000 5.034000 
1 1 1   73   15    8 o   14.610   2.2280 -2.852000 4.457000 
1 1 1   73   15    9 o   9.5350   2.3400 -4.645000 4.681000 
1 1 1   73   15   10 o   7.6090   2.3130 1.122000 4.626000 
1 1 1   73   15   11 o   6.1630   2.0150 -1.819000 4.031000 
1 1 1   73   15   12 o   9.2610   2.3960 2.384000 4.791000 
1 1 1   73   15   13 f   20.770   1.3880 -3.151000 2.776000 
1 1 1   73   15   14 o   10.180   2.3550 -1.364000 4.709000 
1 1 1   73   15   15 o   10.770   2.9060 7.430000 5.812000 
1 1 1   73   16    0 o   7.3800   3.2430 -0.000000 0.000000 
1 1 1   73   16    1 o   8.9170   2.4990 -0.1006000 4.998000 
1 1 1   73   16    2 o   11.010   2.6040 0.1664000 5.207000 
1 1 1   73   16    3 o   11.650   2.4410 5.061000 4.881000 
1 1 1   73   16    4 o   9.9130   2.2080 -8.210000 4.417000 
1 1 1   73   16    5 o   22.100   1.5280 -2.540000 3.056000 
1 1 1   73   16    6 o   9.6020   2.4380 -3.650000 4.876000 
1 1 1   73   16    7 o   6.9970   2.1870 -1.330000 4.373000 
1 1 1   73   16    8 o   7.8250   2.2350 -2.771000 4.471000 
1 1 1   73   16    9 o   9.9550   2.4480 1.113000 4.895000 
1 1 1   73   16   10 o   7.6290   2.2480 -1.952000 4.497000 
1 1 1   73   16   11 o   8.7660   2.3230 -3.146000 4.646000 
1 1 1   73   16   12 o   14.560   2.0180 0.1200000 4.035000 
1 1 1   73   17    0 o   10.840   3.5510 -0.000000 0.000000 
1 1 1   73   17    1 o   7.6850   2.3000 -1.839000 4.600000 
1 1 1   73   17    2 o   7.0030   2.2110 -0.4049000E-01 4.422000 
1 1 1   73   17    3 o   7.9390   2.2530 -4.146000 4.506000 
1 1 1   73   17    4 o   12.600   2.3990 -3.540000 4.797000 
1 1 1   73   17    5 o   7.6900   2.2880 1.718000 4.576000 
1 1 1   73   17    6 o   9.2260   1.9020 8.191000 3.803000 
1 1 1   73   17    7 o   9.4580   2.3270 -2.984000 4.655000 
1 1 1   73   17    8 o   8.2650   2.2280 2.948000 4.457000 
1 1 1   73   17    9 o   13.060   1.9840 -10.39000 3.969000 
1 1 1   73   18    0 o   8.2840   3.3260 -0.000000 0.000000 
1 1 1   73   18    1 o   9.6920   2.1380 -7.190000 4.276000 
1 1 1   73   18    2 o   12.100   2.3240 -1.028000 4.648000 
1 1 1   73   18    3 o   6.1390   2.0040 -1.491000 4.009000 
1 1 1   73   18    4 o   11.890   2.3080 3.242000 4.616000 
1 1 1   74    0    0 o   14.890   3.2770 -0.000000 0.000000 
1 1 1   74    0    1 o   14.640   2.3980 -0.000000 0.000000 
1 1 1   74    0    2 o   29.730   1.2910 -0.000000 0.000000 
1 1 1   74    0    3 o   29.650   1.2880 -0.000000 0.000000 
1 1 1   74    0    4 o   45.460   1.0630 -0.000000 0.000000 
1 1 1   74    0    5 o   12.340   2.9160 -0.000000 0.000000 
1 1 1   74    0    6 o   65.930   1.1530 -0.000000 0.000000 
1 1 1   74    0    7 f   51.130   1.0670 -0.000000 0.000000 
1 1 1   74    0    8 o   32.640   1.2340 -0.000000 0.000000 
1 1 1   74    0    9 o   7.3670   3.0270 -0.000000 0.000000 
1 1 1   74    0   10 o   11.380   3.1200 -0.000000 0.000000 
1 1 1   74    0   12 o   16.770   2.3220 -0.000000 0.000000 
1 1 1   74    0   13 o   11.420   3.2310 -0.000000 0.000000 
1 1 1   74    0   14 o   18.220   2.3010 -0.000000 0.000000 
1 1 1   74    0   15 o   39.670   1.2360 -0.000000 0.000000 
1 1 1   74    0   16 f   20.580   1.9910 -0.000000 0.000000 
1 1 1   74    0   17 o   7.3470   3.1370 -0.000000 0.000000 
1 1 1   74    0   18 o   12.890   3.1950 -0.000000 0.000000 
1 1 1   74    0   19 o   9.6110   3.3290 -0.000000 0.000000 
1 1 1   74    0   20 o   5.4700   2.5890 -0.000000 0.000000 
1 1 1   74    0   21 o   19.470   2.0290 -0.000000 0.000000 
1 1 1   74    0   22 o   6.5650   2.8490 -0.000000 0.000000 
1 1 1   74    0   23 o   9.1220   3.1600 -0.000000 0.000000 
1 1 1   74    0   24 o   11.270   3.0510 -0.000000 0.000000 
1 1 1   74    0   25 o   5.5910   2.5690 -0.000000 0.000000 
1 1 1   74    0   26 o   7.4960   3.2040 -0.000000 0.000000 
1 1 1   74    1    0 o   24.970   1.4370 -0.000000 0.000000 
1 1 1   74    1    1 o   7.4970   2.0990 0.9093000 4.198000 
1 1 1   74    1    2 o   18.570   1.2850 6.047000 2.569000 
1 1 1   74    1    3 o   33.560   0.7534 3.340000 1.507000 
1 1 1   74    1    4 o   12.320   1.7810 3.004000 3.562000 
1 1 1   74    1    5 o   35.930   0.8314 -0.2403000 1.663000 
1 1 1   74    1    6 o   53.480   0.7542 -2.176000 1.508000 
1 1 1   74    1    7 f   53.420   0.7571 0.7548000 1.514000 
1 1 1   74    1    8 o   24.270   1.1080 -2.790000 2.215000 
1 1 1   74    1    9 o   26.080   1.0300 2.682000 2.061000 
1 1 1   74    1   10 o   37.430   0.8195 -5.538000 1.639000 
1 1 1   74    1   11 o   9.4930   2.0550 -5.958000 4.109000 
1 1 1   74    1   12 o   43.620   0.7977 -1.408000 1.595000 
1 1 1   74    1   13 o   22.450   1.2620 1.644000 2.524000 
1 1 1   74    1   14 o   27.640   1.0720 -4.059000 2.145000 
1 1 1   74    1   15 o   18.590   1.6290 -2.330000 3.258000 
1 1 1   74    1   16 o   16.160   1.8670 -1.563000 3.733000 
1 1 1   74    1   17 o   10.920   2.3610 2.100000 4.723000 
1 1 1   74    1   18 o   10.490   2.3120 -3.101000 4.625000 
1 1 1   74    1   19 o   14.060   2.0560 3.817000 4.113000 
1 1 1   74    1   20 o   15.900   1.8010 1.077000 3.602000 
1 1 1   74    1   21 o   13.330   2.0780 -2.300000 4.156000 
1 1 1   74    1   22 o   10.930   2.1820 3.639000 4.365000 
1 1 1   74    1   23 o   9.4980   2.2340 -0.8086000 4.468000 
1 1 1   74    1   24 o   9.5110   2.1860 -1.752000 4.372000 
1 1 1   74    1   25 o   11.820   2.0170 3.269000 4.034000 
1 1 1   74    2    0 o   13.010   2.0250 -0.000000 0.000000 
1 1 1   74    2    1 o   43.570   0.5792 0.1849000 1.158000 
1 1 1   74    2    2 o   33.930   0.6254 -0.5900000 1.251000 
1 1 1   74    2    3 o   45.600   0.5806 -2.802000 1.161000 
1 1 1   74    2    4 o   39.350   0.6010 -1.535000 1.202000 
1 1 1   74    2    5 o   20.810   0.9242 -1.510000 1.848000 
1 1 1   74    2    6 o   11.830   1.6260 -0.8073000E-01 3.251000 
1 1 1   74    2    7 o   11.060   1.7090 -5.227000 3.419000 
1 1 1   74    2    8 o   35.010   0.6542 2.522000 1.308000 
1 1 1   74    2    9 o   22.760   0.8761 -1.848000 1.752000 
1 1 1   74    2   10 o   21.600   0.9608 5.270000 1.922000 
1 1 1   74    2   11 o   26.000   0.8052 -3.839000 1.610000 
1 1 1   74    2   12 o   9.8230   1.9230 -2.637000 3.845000 
1 1 1   74    2   13 o   22.150   1.0150 5.883000 2.031000 
1 1 1   74    2   14 o   20.510   1.0540 0.1638000 2.108000 
1 1 1   74    2   15 o   19.850   1.2650 -2.723000 2.529000 
1 1 1   74    2   16 o   6.2370   1.9230 0.9511000 3.847000 
1 1 1   74    2   17 o   22.700   1.2040 4.247000 2.408000 
1 1 1   74    2   18 o   6.7500   2.0080 0.9178000 4.016000 
1 1 1   74    2   19 o   17.300   1.6250 -0.8263000 3.249000 
1 1 1   74    2   20 f   18.280   1.4460 0.1632000E-01 2.893000 
1 1 1   74    2   21 o   14.480   1.6680 -2.355000 3.335000 
1 1 1   74    2   22 o   22.250   1.2300 -0.7185000 2.461000 
1 1 1   74    2   23 o   8.2230   2.2280 0.3972000 4.456000 
1 1 1   74    2   24 o   11.030   2.1210 3.824000 4.241000 
1 1 1   74    2   25 o   8.5120   2.2220 -0.8853000 4.444000 
1 1 1   74    3    0 o   23.720   1.3480 -0.000000 0.000000 
1 1 1   74    3    1 o   25.370   0.9138 -3.679000 1.828000 
1 1 1   74    3    2 o   48.180   0.6484 0.6505000 1.297000 
1 1 1   74    3    3 o   44.500   0.6451 -3.140000 1.290000 
1 1 1   74    3    4 o   29.550   0.7578 -0.5461000 1.516000 
1 1 1   74    3    5 o   30.820   0.7536 3.363000 1.507000 
1 1 1   74    3    6 o   25.290   0.8625 0.2901000 1.725000 
1 1 1   74    3    7 o   20.650   1.0080 -2.151000 2.015000 
1 1 1   74    3    8 f   24.960   0.8784 -0.5151000 1.757000 
1 1 1   74    3    9 o   16.360   1.2250 0.9494000 2.450000 
1 1 1   74    3   10 o   14.080   1.5570 7.588000 3.114000 
1 1 1   74    3   11 o   7.6910   1.8850 3.381000 3.770000 
1 1 1   74    3   12 o   17.300   1.2370 3.289000 2.473000 
1 1 1   74    3   13 o   8.7760   2.0310 -0.8472000 4.063000 
1 1 1   74    3   14 o   23.430   0.9436 -2.413000 1.887000 
1 1 1   74    3   15 o   16.160   1.4010 1.743000 2.803000 
1 1 1   74    3   16 o   27.170   0.8660 0.2289000 1.732000 
1 1 1   74    3   17 o   16.830   1.3410 -3.078000 2.682000 
1 1 1   74    3   18 o   27.120   0.8723 0.5041000E-01 1.745000 
1 1 1   74    3   19 o   8.7740   2.1220 -0.5245000 4.244000 
1 1 1   74    3   20 o   18.720   1.1960 -2.893000 2.392000 
1 1 1   74    3   21 o   8.3110   1.9060 -4.772000 3.812000 
1 1 1   74    3   22 f   17.950   1.3880 2.775000 2.776000 
1 1 1   74    3   23 o   7.3500   2.0340 -0.3617000E-01 4.069000 
1 1 1   74    3   24 o   8.3230   2.0450 -0.8599000 4.091000 
1 1 1   74    3   25 o   15.730   1.4220 0.1847000 2.845000 
1 1 1   74    4    0 o   7.1140   2.8770 -0.000000 0.000000 
1 1 1   74    4    1 o   14.350   1.5800 -2.665000 3.160000 
1 1 1   74    4    2 o   20.090   1.1430 -3.105000 2.286000 
1 1 1   74    4    3 o   24.040   0.9530 1.959000 1.906000 
1 1 1   74    4    4 o   34.140   0.7612 -1.350000 1.522000 
1 1 1   74    4    5 o   6.1840   1.8780 -1.885000 3.755000 
1 1 1   74    4    6 o   37.250   0.7369 1.244000 1.474000 
1 1 1   74    4    7 o   10.700   1.9040 -4.924000 3.807000 
1 1 1   74    4    8 o   10.670   2.0500 -2.775000 4.099000 
1 1 1   74    4    9 o   20.500   1.1980 4.838000 2.396000 
1 1 1   74    4   10 o   5.8440   1.8520 2.010000 3.704000 
1 1 1   74    4   11 o   22.020   1.1480 -3.995000 2.297000 
1 1 1   74    4   12 o   26.260   0.9898 1.748000 1.980000 
1 1 1   74    4   13 o   11.250   1.8020 -10.55000 3.603000 
1 1 1   74    4   14 o   26.310   1.0320 -2.185000 2.064000 
1 1 1   74    4   15 o   23.350   1.0650 0.9521000E-01 2.131000 
1 1 1   74    4   16 o   21.120   1.2380 1.037000 2.475000 
1 1 1   74    4   17 o   12.820   1.9190 2.603000 3.838000 
1 1 1   74    4   18 o   5.8970   1.8850 0.1234000 3.769000 
1 1 1   74    4   19 o   19.400   1.2880 -2.172000 2.576000 
1 1 1   74    4   20 o   6.2650   1.8910 -4.542000 3.781000 
1 1 1   74    4   21 o   15.030   1.6790 1.248000 3.359000 
1 1 1   74    4   22 o   10.630   1.9030 -1.111000 3.805000 
1 1 1   74    4   23 o   5.9690   1.8110 -0.4562000 3.621000 
1 1 1   74    4   24 o   8.9060   1.9590 -0.3895000 3.918000 
1 1 1   74    4   25 o   12.500   1.6160 2.256000 3.232000 
1 1 1   74    5    0 o   6.3680   2.7140 -0.000000 0.000000 
1 1 1   74    5    1 o   34.600   0.7697 -1.051000 1.539000 
1 1 1   74    5    2 o   12.900   1.8480 0.1632000 3.696000 
1 1 1   74    5    3 o   36.720   0.7460 -3.286000 1.492000 
1 1 1   74    5    4 o   52.870   0.7283 0.6731000 1.457000 
1 1 1   74    5    5 o   17.250   1.3300 -0.5613000 2.660000 
1 1 1   74    5    6 o   31.990   0.8308 3.264000 1.662000 
1 1 1   74    5    7 o   19.820   1.1840 -1.318000 2.368000 
1 1 1   74    5    8 o   9.5020   2.0150 -4.817000 4.030000 
1 1 1   74    5    9 o   14.160   1.8150 4.677000 3.629000 
1 1 1   74    5   10 o   24.920   1.0210 -0.4290000 2.043000 
1 1 1   74    5   11 o   18.770   1.3300 -2.817000 2.659000 
1 1 1   74    5   12 o   20.510   1.2290 0.3682000 2.459000 
1 1 1   74    5   13 o   19.970   1.3630 5.207000 2.727000 
1 1 1   74    5   14 o   12.080   1.9230 8.726000 3.846000 
1 1 1   74    5   15 o   19.720   1.3670 2.735000 2.735000 
1 1 1   74    5   16 o   6.7350   2.0260 -3.496000 4.051000 
1 1 1   74    5   17 o   15.200   1.8560 1.472000 3.712000 
1 1 1   74    5   18 f   26.010   1.1080 -2.544000 2.215000 
1 1 1   74    5   19 o   7.0900   2.0180 -4.756000 4.037000 
1 1 1   74    5   20 f   7.0490   2.1040 0.4597000 4.208000 
1 1 1   74    5   21 f   11.660   2.1290 -1.538000 4.258000 
1 1 1   74    5   22 o   7.7520   2.0860 -1.206000 4.172000 
1 1 1   74    5   23 o   6.5520   1.9680 -1.087000 3.936000 
1 1 1   74    5   24 o   10.320   2.0120 -4.908000 4.023000 
1 1 1   74    5   25 o   8.1920   3.4800      ?      ? 
1 1 1   74    6    0 f   6.6870   2.8020 -0.000000 0.000000 
1 1 1   74    6    1 o   7.7600   1.9820 4.090000 3.965000 
1 1 1   74    6    2 o   14.800   1.6320 -0.6750000 3.264000 
1 1 1   74    6    3 o   23.150   1.0400 0.2382000 2.080000 
1 1 1   74    6    4 o   11.250   2.0380 -1.750000 4.077000 
1 1 1   74    6    5 f   61.100   0.7757 0.7984000 1.551000 
1 1 1   74    6    6 o   15.570   1.5660 -2.753000 3.131000 
1 1 1   74    6    7 o   6.6280   1.9870 0.9922000 3.975000 
1 1 1   74    6    8 f   15.460   1.5860 -0.3250000E-02 3.172000 
1 1 1   74    6    9 o   24.120   1.0690 -0.3508000 2.138000 
1 1 1   74    6   10 o   22.310   1.2210 -6.629000 2.442000 
1 1 1   74    6   11 o   19.800   1.3390 2.288000 2.677000 
1 1 1   74    6   12 o   22.720   1.1790 0.9827000 2.358000 
1 1 1   74    6   13 o   18.870   1.4290 -1.758000 2.858000 
1 1 1   74    6   14 o   41.470   0.8164 1.437000 1.633000 
1 1 1   74    6   15 o   15.700   1.8210 0.3634000 3.641000 
1 1 1   74    6   16 o   15.600   1.8480 6.105000 3.695000 
1 1 1   74    6   17 o   8.4820   2.0790 -6.062000 4.157000 
1 1 1   74    6   18 o   8.2700   2.2510 1.381000 4.502000 
1 1 1   74    6   19 o   14.910   1.8800 -0.3761000 3.759000 
1 1 1   74    6   20 o   9.6280   2.2860 -0.5410000 4.572000 
1 1 1   74    6   21 o   10.480   2.1660 -3.059000 4.332000 
1 1 1   74    6   22 o   10.600   1.8930 -8.615000 3.786000 
1 1 1   74    6   23 o   9.7540   2.2010 -2.417000 4.402000 
1 1 1   74    6   24 o   12.130   2.0330 4.463000 4.066000 
1 1 1   74    7    0 o   19.290   1.8170 -0.000000 0.000000 
1 1 1   74    7    1 o   9.9390   2.0160 5.333000 4.032000 
1 1 1   74    7    2 o   39.690   0.7945 0.2682000 1.589000 
1 1 1   74    7    3 o   27.460   0.9294 1.281000 1.859000 
1 1 1   74    7    4 o   15.410   1.6670 0.5953000 3.334000 
1 1 1   74    7    5 o   42.890   0.7559 -1.282000 1.512000 
1 1 1   74    7    6 o   25.690   1.0060 -1.126000 2.011000 
1 1 1   74    7    7 o   8.9580   2.0970 -4.111000 4.195000 
1 1 1   74    7    8 o   15.300   1.6780 0.1737000 3.355000 
1 1 1   74    7    9 o   26.620   1.0260 0.2392000 2.052000 
1 1 1   74    7   10 o   17.460   1.5940 -6.092000 3.188000 
1 1 1   74    7   11 o   8.7630   2.2760 1.487000 4.553000 
1 1 1   74    7   12 o   18.720   1.5070 -6.815000 3.014000 
1 1 1   74    7   13 o   8.9240   2.3130 0.1947000 4.626000 
1 1 1   74    7   14 o   13.630   2.0670 -1.365000 4.135000 
1 1 1   74    7   15 o   10.600   2.3560 0.2169000 4.713000 
1 1 1   74    7   16 o   14.360   2.0140 5.696000 4.029000 
1 1 1   74    7   17 o   33.050   0.9378 0.4728000 1.876000 
1 1 1   74    7   18 o   15.920   1.7480 2.437000 3.495000 
1 1 1   74    7   19 o   9.9780   2.3130 0.4778000 4.626000 
1 1 1   74    7   20 o   10.270   2.1720 -4.253000 4.345000 
1 1 1   74    7   21 o   14.090   1.8940 2.726000 3.788000 
1 1 1   74    7   22 o   5.5400   1.8190 0.9680000 3.637000 
1 1 1   74    7   23 o   6.8810   2.0450 -1.867000 4.090000 
1 1 1   74    7   24 o   11.430   3.6850      ?      ? 
1 1 1   74    8    0 o   9.9450   3.0960 -0.000000 0.000000 
1 1 1   74    8    1 o   15.440   1.8060 -6.645000 3.611000 
1 1 1   74    8    2 o   38.240   0.8048 -0.7830000 1.610000 
1 1 1   74    8    3 o   25.010   1.0650 2.275000 2.130000 
1 1 1   74    8    4 o   16.770   1.5670 2.390000 3.135000 
1 1 1   74    8    5 o   40.430   0.8109 3.538000 1.622000 
1 1 1   74    8    6 o   7.4130   2.1170 -1.441000 4.234000 
1 1 1   74    8    7 o   11.630   2.1310 -0.2140000 4.263000 
1 1 1   74    8    8 o   8.6520   2.2590 0.4983000 4.517000 
1 1 1   74    8    9 o   20.950   1.2840 -3.799000 2.568000 
1 1 1   74    8   10 o   11.200   2.2550 0.5026000 4.511000 
1 1 1   74    8   11 o   7.8430   2.2350 -0.4614000 4.469000 
1 1 1   74    8   12 o   10.960   2.2020 3.370000 4.404000 
1 1 1   74    8   13 o   9.7230   2.2130 -5.480000 4.426000 
1 1 1   74    8   14 o   11.920   2.2730 -4.643000 4.546000 
1 1 1   74    8   15 o   20.660   1.4190 2.823000 2.837000 
1 1 1   74    8   16 o   30.350   0.9965 0.7882000 1.993000 
1 1 1   74    8   17 o   21.850   1.3100 -1.798000 2.620000 
1 1 1   74    8   18 o   7.3190   2.1530 0.7870000 4.306000 
1 1 1   74    8   19 o   11.070   2.2270 -1.984000 4.454000 
1 1 1   74    8   20 f   8.5300   2.2350 1.605000 4.469000 
1 1 1   74    8   21 o   5.5650   1.8270 1.111000 3.653000 
1 1 1   74    8   22 o   13.020   1.9530 5.206000 3.905000 
1 1 1   74    8   23 o   9.3850   2.2030 3.280000 4.406000 
1 1 1   74    9    0 f   32.660   1.3290 -0.000000 0.000000 
1 1 1   74    9    1 o   17.590   1.5190 -0.1177000 3.038000 
1 1 1   74    9    2 o   10.800   2.2970 0.4342000 4.595000 
1 1 1   74    9    3 o   23.140   1.2080 0.9252000 2.416000 
1 1 1   74    9    4 o   17.870   1.5380 -0.3243000 3.076000 
1 1 1   74    9    5 o   19.180   1.3980 -1.972000 2.795000 
1 1 1   74    9    6 o   6.7250   2.0620 2.039000 4.123000 
1 1 1   74    9    7 o   15.200   1.8510 -2.852000 3.701000 
1 1 1   74    9    8 o   7.8010   2.2280 0.4479000 4.456000 
1 1 1   74    9    9 o   9.7320   2.3420 -1.599000 4.684000 
1 1 1   74    9   10 o   16.800   1.8350 9.855000 3.670000 
1 1 1   74    9   11 o   13.650   2.0700 -0.3067000 4.141000 
1 1 1   74    9   12 o   27.250   1.5970      ?      ? 
1 1 1   74    9   13 o   13.640   2.1090 -7.726000 4.217000 
1 1 1   74    9   14 o   10.120   2.3980 -2.976000 4.796000 
1 1 1   74    9   15 o   9.4230   2.3710 -0.9617000 4.742000 
1 1 1   74    9   16 o   7.8590   2.2960 0.3321000E-01 4.593000 
1 1 1   74    9   17 o   13.260   2.1460 2.215000 4.293000 
1 1 1   74    9   18 o   10.980   2.3090 -1.564000 4.618000 
1 1 1   74    9   19 o   6.8890   2.1000 -0.4196000 4.199000 
1 1 1   74    9   20 o   7.6590   2.1680 -2.385000 4.336000 
1 1 1   74    9   21 o   7.6930   3.1050      ?      ? 
1 1 1   74    9   22 o   10.080   2.2800 -1.114000 4.559000 
1 1 1   74   10    0 o   39.820   1.2310 -0.000000 0.000000 
1 1 1   74   10    1 o   16.380   1.7430 -2.415000 3.486000 
1 1 1   74   10    2 o   25.350   1.6590      ?      ? 
1 1 1   74   10    3 o   23.270   1.2530 1.241000 2.507000 
1 1 1   74   10    4 o   29.980   1.0350 1.191000 2.069000 
1 1 1   74   10    5 f   19.450   1.4930 -3.858000 2.987000 
1 1 1   74   10    6 o   28.760   1.0380 -1.160000 2.076000 
1 1 1   74   10    7 o   10.090   2.1290 -5.718000 4.259000 
1 1 1   74   10    8 o   9.2760   2.3050 3.144000 4.609000 
1 1 1   74   10    9 o   29.130   1.0640 0.2969000 2.128000 
1 1 1   74   10   10 o   9.3760   2.3820 0.7333000 4.763000 
1 1 1   74   10   11 o   10.300   2.3570 -3.115000 4.713000 
1 1 1   74   10   12 o   14.280   2.0910 -6.875000 4.182000 
1 1 1   74   10   13 o   13.970   2.1930 -4.969000 4.387000 
1 1 1   74   10   14 o   10.090   2.4050 -2.238000 4.810000 
1 1 1   74   10   15 o   6.8080   2.1330 0.8928000 4.267000 
1 1 1   74   10   16 o   11.450   2.4030 1.729000 4.807000 
1 1 1   74   10   17 o   9.9780   2.3370 -2.483000 4.674000 
1 1 1   74   10   18 o   9.9450   2.3610 -2.230000 4.722000 
1 1 1   74   10   19 o   8.4220   2.2620 -1.550000 4.525000 
1 1 1   74   10   20 o   11.490   2.2050 2.494000 4.409000 
1 1 1   74   10   21 o   11.080   2.2570 2.076000 4.514000 
1 1 1   74   11    0 o   40.000   1.2990 -0.000000 0.000000 
1 1 1   74   11    1 o   24.570   1.2490 0.5649000 2.499000 
1 1 1   74   11    2 o   12.510   2.2960 -1.429000 4.593000 
1 1 1   74   11    3 f   12.450   2.3020 -3.529000 4.604000 
1 1 1   74   11    4 o   20.830   1.5100 -1.731000 3.020000 
1 1 1   74   11    5 o   9.2250   2.4070 0.3290000E-01 4.814000 
1 1 1   74   11    6 o   12.090   2.1980 6.240000 4.397000 
1 1 1   74   11    7 o   18.680   1.6320 -1.456000 3.264000 
1 1 1   74   11    8 o   15.430   2.0310 2.473000 4.063000 
1 1 1   74   11    9 o   19.970   1.5540 -2.263000 3.108000 
1 1 1   74   11   10 o   16.730   1.8510 2.916000 3.702000 
1 1 1   74   11   11 o   36.150   0.9285 1.872000 1.857000 
1 1 1   74   11   12 o   26.470   1.1920 2.657000 2.383000 
1 1 1   74   11   13 o   16.360   1.9570 0.9658000 3.914000 
1 1 1   74   11   14 o   8.3630   2.2000 -4.627000 4.399000 
1 1 1   74   11   15 o   10.030   2.0150 9.385000 4.031000 
1 1 1   74   11   16 o   5.9140   1.9490 2.728000 3.897000 
1 1 1   74   11   17 o   7.7590   2.2570 1.780000 4.515000 
1 1 1   74   11   18 o   8.7490   2.0150 6.838000 4.030000 
1 1 1   74   11   19 f   9.4320   2.3210 0.5101000 4.643000 
1 1 1   74   11   20 o   8.3280   2.1320 4.338000 4.263000 
1 1 1   74   12    0 o   12.190   3.4180 -0.000000 0.000000 
1 1 1   74   12    1 o   16.840   1.8820 2.678000 3.764000 
1 1 1   74   12    2 o   13.060   2.3160 2.041000 4.632000 
1 1 1   74   12    3 o   12.240   2.3350 2.142000 4.669000 
1 1 1   74   12    4 o   9.9060   2.3990 -2.986000 4.798000 
1 1 1   74   12    5 o   7.0990   2.1840 1.081000 4.368000 
1 1 1   74   12    6 o   13.570   2.2640 -1.586000 4.527000 
1 1 1   74   12    7 o   16.190   1.9310 0.4484000E-01 3.863000 
1 1 1   74   12    8 o   26.400   1.1980 0.2926000 2.396000 
1 1 1   74   12    9 o   24.890   1.3080 2.270000 2.616000 
1 1 1   74   12   10 o   19.790   1.6220 -1.974000 3.243000 
1 1 1   74   12   11 o   12.780   2.2830 2.968000 4.566000 
1 1 1   74   12   12 o   13.150   2.1260 -8.063000 4.252000 
1 1 1   74   12   13 o   12.170   2.4110 -0.8951000 4.821000 
1 1 1   74   12   14 o   10.360   2.3810 -3.543000 4.763000 
1 1 1   74   12   15 f   13.910   2.1260 -7.533000 4.252000 
1 1 1   74   12   16 o   8.2440   2.3030 -2.029000 4.607000 
1 1 1   74   12   17 o   11.510   2.1770 5.663000 4.353000 
1 1 1   74   12   18 o   6.7740   2.0910 1.526000 4.183000 
1 1 1   74   12   19 o   9.0080   2.1460 -4.765000 4.292000 
1 1 1   74   13    0 o   15.200   2.8650 -0.000000 0.000000 
1 1 1   74   13    1 o   8.2850   2.3750 -0.9897000 4.750000 
1 1 1   74   13    2 o   11.140   2.5120 0.4370000 5.025000 
1 1 1   74   13    3 o   13.220   2.2690 6.229000 4.538000 
1 1 1   74   13    5 o   20.390   1.5300 -0.1943000 3.060000 
1 1 1   74   13    6 o   22.030   1.4740 1.948000 2.947000 
1 1 1   74   13    7 o   22.500   1.4040 0.5359000E-01 2.807000 
1 1 1   74   13    8 o   28.700   1.1670 0.4563000 2.334000 
1 1 1   74   13    9 o   19.680   1.6790 -0.3869000 3.357000 
1 1 1   74   13   10 o   8.3470   2.3650 -1.252000 4.730000 
1 1 1   74   13   11 o   19.240   1.6820 2.510000 3.364000 
1 1 1   74   13   12 o   7.5610   2.2870 -1.404000 4.573000 
1 1 1   74   13   13 o   7.9940   2.3420 0.2436000E-02 4.684000 
1 1 1   74   13   14 o   9.1880   2.3790 3.086000 4.758000 
1 1 1   74   13   15 o   10.030   2.3420 -3.917000 4.685000 
1 1 1   74   13   16 o   14.880   2.0090 4.210000 4.017000 
1 1 1   74   13   17 o   7.9940   2.2720 2.242000 4.544000 
1 1 1   74   13   18 o   8.8670   2.5080 1.776000 5.015000 
1 1 1   74   14    0 o   12.150   3.4790 -0.000000 0.000000 
1 1 1   74   14    1 o   14.850   2.1410 8.826000 4.281000 
1 1 1   74   14    2 o   13.470   2.3630 -3.876000 4.725000 
1 1 1   74   14    3 o   6.8640   2.1830 -1.776000 4.366000 
1 1 1   74   14    4 o   13.430   2.2650 -6.611000 4.530000 
1 1 1   74   14    5 o   23.420   1.4390 -1.920000 2.877000 
1 1 1   74   14    6 o   19.650   1.6670 2.005000 3.334000 
1 1 1   74   14    7 o   8.8530   2.4280 -0.5349000 4.856000 
1 1 1   74   14    8 o   10.120   2.3990 4.877000 4.797000 
1 1 1   74   14    9 o   9.3370   2.4960 0.7271000 4.992000 
1 1 1   74   14   10 o   9.1030   2.4040 -3.205000 4.808000 
1 1 1   74   14   11 o   13.620   2.3210 -0.5424000 4.642000 
1 1 1   74   14   12 o   11.590   2.3270 5.191000 4.654000 
1 1 1   74   14   13 o   13.240   2.2210 -2.617000 4.443000 
1 1 1   74   14   14 o   9.7190   2.2000 6.776000 4.400000 
1 1 1   74   14   15 o   7.0790   2.1870 0.6949000 4.374000 
1 1 1   74   14   16 o   10.320   2.0530 8.447000 4.106000 
1 1 1   74   15    0 o   5.7050   2.7480 -0.000000 0.000000 
1 1 1   74   15    1 o   10.530   2.4760 4.324000 4.951000 
1 1 1   74   15    2 o   12.400   2.4550 3.572000 4.909000 
1 1 1   74   15    3 o   11.050   2.4840 -5.076000 4.967000 
1 1 1   74   15    4 o   9.1710   2.4780 -2.579000 4.956000 
1 1 1   74   15    5 o   14.750   2.3050 -3.954000 4.609000 
1 1 1   74   15    6 o   13.040   2.4450 0.1244000 4.890000 
1 1 1   74   15    7 o   16.140   2.1200 2.720000 4.240000 
1 1 1   74   15    8 o   13.570   2.3400 1.548000 4.680000 
1 1 1   74   15    9 f   7.3870   2.1730 -3.729000 4.346000 
1 1 1   74   15   10 o   13.710   2.3020 -0.5668000 4.604000 
1 1 1   74   15   11 o   9.8310   2.4860 0.8933000 4.972000 
1 1 1   74   15   12 o   13.200   2.2910 -3.918000 4.582000 
1 1 1   74   15   13 o   9.5870   2.3770 -3.867000 4.754000 
1 1 1   74   15   14 o   9.7720   2.3140 -3.426000 4.628000 
1 1 1   74   16    0 o   6.8190   3.1030 -0.000000 0.000000 
1 1 1   74   16    1 o   6.7080   3.0860      ?      ? 
1 1 1   74   16    2 o   9.7200   2.3380 5.942000 4.675000 
1 1 1   74   16    3 o   9.4960   2.5200 0.5384000E-01 5.040000 
1 1 1   74   16    4 o   9.7520   2.4280 3.620000 4.856000 
1 1 1   74   16    5 o   12.990   2.4090 -0.9858000E-01 4.818000 
1 1 1   74   16    6 o   7.8200   2.3190 -0.7225000 4.639000 
1 1 1   74   16    7 o   8.3750   2.3380 -1.790000 4.675000 
1 1 1   74   16    8 o   7.5080   2.2420 2.498000 4.484000 
1 1 1   74   16    9 o   11.120   2.2810 6.293000 4.561000 
1 1 1   74   16   10 o   9.5270   2.0160 7.454000 4.032000 
1 1 1   74   16   11 f   10.210   2.3590 -3.515000 4.718000 
1 1 1   74   16   12 o   12.360   3.1610 6.503000 6.321000 
1 1 1   74   17    0 o   7.4240   3.1990 -0.000000 0.000000 
1 1 1   74   17    1 o   9.8860   2.5040 1.757000 5.008000 
1 1 1   74   17    2 o   14.800   2.2080 3.755000 4.416000 
1 1 1   74   17    3 o   7.1400   2.2260 -0.1215000 4.452000 
1 1 1   74   17    4 o   9.5420   2.4390 -2.686000 4.878000 
1 1 1   74   17    5 f   8.5660   2.2770 4.332000 4.553000 
1 1 1   74   17    6 o   8.8980   2.4000 1.518000 4.800000 
1 1 1   74   17    7 o   11.120   2.2040 -6.384000 4.409000 
1 1 1   74   17    8 o   8.3340   2.1700 4.235000 4.340000 
1 1 1   74   18    0 o   8.3380   3.4600 -0.000000 0.000000 
1 1 1   74   18    1 f   8.4490   2.7290 -1.806000 5.458000 
1 1 1   74   18    2 f   12.450   4.5600      ?      ? 
1 1 1   75    0    1 o   8.1130   3.1190 -0.000000 0.000000 
1 1 1   75    0    2 o   6.3230   2.7770 -0.000000 0.000000 
1 1 1   75    0    3 o   21.170   1.7180 -0.000000 0.000000 
1 1 1   75    0    4 o   38.260   1.1450 -0.000000 0.000000 
1 1 1   75    0    5 o   7.8680   3.0750 -0.000000 0.000000 
1 1 1   75    0    6 o   27.220   1.3580 -0.000000 0.000000 
1 1 1   75    0    7 o   5.7660   2.6570 -0.000000 0.000000 
1 1 1   75    0    8 o   27.420   1.4100 -0.000000 0.000000 
1 1 1   75    0    9 o   7.8210   3.0910 -0.000000 0.000000 
1 1 1   75    0   10 o   5.8640   2.7070 -0.000000 0.000000 
1 1 1   75    0   11 o   44.700   1.1330 -0.000000 0.000000 
1 1 1   75    0   12 o   29.290   1.4920 -0.000000 0.000000 
1 1 1   75    0   13 o   7.7080   3.2150 -0.000000 0.000000 
1 1 1   75    0   14 o   8.8860   3.3440 -0.000000 0.000000 
1 1 1   75    0   15 o   26.280   1.6700 -0.000000 0.000000 
1 1 1   75    0   16 o   27.830   1.5630 -0.000000 0.000000 
1 1 1   75    0   17 o   11.720   3.3190 -0.000000 0.000000 
1 1 1   75    0   18 o   13.360   3.1100 -0.000000 0.000000 
1 1 1   75    0   19 o   21.450   1.9360 -0.000000 0.000000 
1 1 1   75    0   20 o   15.360   2.6540 -0.000000 0.000000 
1 1 1   75    0   21 o   25.990   1.5340 -0.000000 0.000000 
1 1 1   75    0   22 o   13.380   2.8640 -0.000000 0.000000 
1 1 1   75    0   23 o   13.760   2.6550 -0.000000 0.000000 
1 1 1   75    0   24 o   5.7380   2.6260 -0.000000 0.000000 
1 1 1   75    0   25 o   6.4230   2.8020 -0.000000 0.000000 
1 1 1   75    1    0 o   20.400   1.8150 -0.000000 0.000000 
1 1 1   75    1    1 o   42.410   0.7621 -2.025000 1.524000 
1 1 1   75    1    2 o   41.250   0.7576 -1.039000 1.515000 
1 1 1   75    1    3 o   18.970   1.3720 1.008000 2.744000 
1 1 1   75    1    4 o   22.010   1.2260 0.9631000E-01 2.452000 
1 1 1   75    1    5 o   39.510   0.7925 -4.190000 1.585000 
1 1 1   75    1    6 o   9.7280   2.1760 -2.819000 4.351000 
1 1 1   75    1    7 o   23.980   1.1410 4.147000 2.282000 
1 1 1   75    1    8 o   33.740   0.8646 -3.389000 1.729000 
1 1 1   75    1    9 o   13.780   1.9560 1.719000 3.911000 
1 1 1   75    1   10 o   21.710   1.2740 3.047000 2.548000 
1 1 1   75    1   11 f   8.8730   2.2700 1.809000 4.539000 
1 1 1   75    1   12 o   25.020   1.1420 2.300000 2.283000 
1 1 1   75    1   13 o   18.770   1.5890 1.855000 3.177000 
1 1 1   75    1   14 o   23.950   1.2700 3.030000 2.539000 
1 1 1   75    1   15 o   20.780   1.4870 1.928000 2.974000 
1 1 1   75    1   16 o   23.740   1.2890 4.770000 2.578000 
1 1 1   75    1   17 o   29.430   1.0520 -0.3529000 2.103000 
1 1 1   75    1   18 o   16.610   1.8260 -3.656000 3.652000 
1 1 1   75    1   19 o   12.520   2.2940 -2.737000 4.589000 
1 1 1   75    1   20 o   7.4420   2.2230 0.3433000 4.447000 
1 1 1   75    1   21 o   9.5760   2.3160 -1.477000 4.632000 
1 1 1   75    1   22 o   12.180   2.1140 2.886000 4.228000 
1 1 1   75    1   23 o   22.140   1.1910 5.214000 2.382000 
1 1 1   75    1   24 o   9.3510   2.1030 -4.269000 4.206000 
1 1 1   75    1   25 o   8.0330   2.1090 2.855000 4.218000 
1 1 1   75    2    0 o   51.170   0.8424 -0.000000 0.000000 
1 1 1   75    2    1 o   20.230   0.9397 -1.766000 1.879000 
1 1 1   75    2    2 f   14.700   1.2840 -0.8469000 2.568000 
1 1 1   75    2    3 o   26.240   0.7618 -2.467000 1.524000 
1 1 1   75    2    4 f   14.290   1.4790 -7.772000 2.957000 
1 1 1   75    2    5 o   40.510   0.6067 2.304000 1.213000 
1 1 1   75    2    6 o   19.610   0.9891 2.893000 1.978000 
1 1 1   75    2    7 o   43.590   0.6072 -4.350000 1.214000 
1 1 1   75    2    8 o   7.0450   1.9110 -1.343000 3.821000 
1 1 1   75    2    9 o   21.720   0.9330 1.615000 1.866000 
1 1 1   75    2   10 o   26.000   0.8257 0.2721000 1.651000 
1 1 1   75    2   11 o   14.170   1.5010 -5.457000 3.003000 
1 1 1   75    2   12 o   8.3780   1.9940 1.647000 3.987000 
1 1 1   75    2   13 o   39.280   0.6602 3.227000 1.320000 
1 1 1   75    2   14 o   31.760   0.8864 4.438000 1.773000 
1 1 1   75    2   15 o   34.430   0.8313 -0.5520000 1.663000 
1 1 1   75    2   16 o   17.000   1.5970 1.859000 3.195000 
1 1 1   75    2   17 o   24.380   1.0760 1.154000 2.152000 
1 1 1   75    2   18 o   20.190   1.3290 2.613000 2.659000 
1 1 1   75    2   19 o   13.740   1.9090 3.483000 3.817000 
1 1 1   75    2   20 o   5.7820   1.8740 -2.176000 3.748000 
1 1 1   75    2   21 o   16.660   1.7200 -3.218000 3.441000 
1 1 1   75    2   22 f   12.850   2.0130 -4.703000 4.026000 
1 1 1   75    2   23 o   13.030   1.9770 -2.219000 3.954000 
1 1 1   75    2   24 o   8.6850   2.1470 -3.089000 4.295000 
1 1 1   75    2   25 f   10.550   2.1770 0.5326000 4.355000 
1 1 1   75    3    0 o   6.1390   2.5620 -0.000000 0.000000 
1 1 1   75    3    1 o   29.170   0.7511 -1.716000 1.502000 
1 1 1   75    3    2 o   6.4490   1.7230 3.870000 3.446000 
1 1 1   75    3    3 o   31.890   0.7473 3.342000 1.495000 
1 1 1   75    3    4 o   41.280   0.6719 -0.3513000 1.344000 
1 1 1   75    3    5 o   30.580   0.7647 2.785000 1.529000 
1 1 1   75    3    6 o   21.040   1.0090 -0.1874000 2.019000 
1 1 1   75    3    7 o   56.790   0.6187 1.381000 1.237000 
1 1 1   75    3    8 o   10.710   1.8210 -2.098000 3.642000 
1 1 1   75    3    9 o   38.140   0.6426 -0.1329000 1.285000 
1 1 1   75    3   10 o   25.600   0.8285 0.6395000 1.657000 
1 1 1   75    3   11 o   32.080   0.7337 -1.004000 1.467000 
1 1 1   75    3   12 o   19.290   1.0940 0.5260000 2.187000 
1 1 1   75    3   13 o   35.090   0.7027 3.350000 1.405000 
1 1 1   75    3   14 o   28.960   0.8191 -7.151000 1.638000 
1 1 1   75    3   15 o   18.730   1.2050 1.289000 2.411000 
1 1 1   75    3   16 o   6.2110   1.8790 -2.663000 3.759000 
1 1 1   75    3   17 o   17.360   1.3120 0.4317000 2.625000 
1 1 1   75    3   18 o   18.890   1.2400 -0.7616000 2.479000 
1 1 1   75    3   19 o   14.830   1.6280 4.735000 3.255000 
1 1 1   75    3   20 o   11.670   1.8460 -5.643000 3.691000 
1 1 1   75    3   21 o   11.660   1.7600 6.163000 3.519000 
1 1 1   75    3   22 o   7.7700   2.0510 1.533000 4.102000 
1 1 1   75    3   23 o   9.5270   2.0260 -3.530000 4.051000 
1 1 1   75    3   24 o   7.8720   2.0370 0.6310000 4.074000 
1 1 1   75    3   25 o   7.9420   1.8820 3.714000 3.765000 
1 1 1   75    4    0 o   19.410   1.6710 -0.000000 0.000000 
1 1 1   75    4    1 o   25.470   0.9281 1.668000 1.856000 
1 1 1   75    4    2 o   32.200   0.7975 3.232000 1.595000 
1 1 1   75    4    3 o   8.2960   1.9850 -3.619000 3.970000 
1 1 1   75    4    4 o   11.880   1.8620 5.165000 3.724000 
1 1 1   75    4    5 o   30.100   0.8389 0.8983000 1.678000 
1 1 1   75    4    6 o   16.890   1.3870 1.173000 2.775000 
1 1 1   75    4    7 o   6.6400   1.8590 -4.119000 3.718000 
1 1 1   75    4    8 o   30.700   0.8335 -1.448000 1.667000 
1 1 1   75    4    9 o   35.200   0.7880 0.4720000 1.576000 
1 1 1   75    4   10 o   21.860   1.2200 7.350000 2.440000 
1 1 1   75    4   11 o   13.900   1.8470 2.016000 3.694000 
1 1 1   75    4   12 o   19.630   1.3190 2.687000 2.639000 
1 1 1   75    4   13 o   13.930   1.9460 -1.663000 3.892000 
1 1 1   75    4   14 o   6.7080   2.0640 0.2743000 4.128000 
1 1 1   75    4   15 o   29.380   0.9043 -1.451000 1.809000 
1 1 1   75    4   16 o   8.8610   2.2240 -2.250000 4.449000 
1 1 1   75    4   17 o   12.870   1.9760 -1.499000 3.952000 
1 1 1   75    4   18 o   15.140   1.7370 -4.735000 3.475000 
1 1 1   75    4   19 o   23.520   1.0840 -1.297000 2.167000 
1 1 1   75    4   20 o   6.4990   1.9860 -1.424000 3.971000 
1 1 1   75    4   21 o   11.100   2.0730 0.7963000 4.146000 
1 1 1   75    4   22 o   12.840   1.6340 -0.8768000 3.268000 
1 1 1   75    4   23 o   8.3530   1.9790 1.728000 3.958000 
1 1 1   75    4   24 o   8.4340   1.9680 0.9563000 3.937000 
1 1 1   75    4   25 o   8.9700   2.2010 -6.901000 4.403000 
1 1 1   75    5    0 o   8.2760   3.0170 -0.000000 0.000000 
1 1 1   75    5    1 o   11.980   1.9860 0.9073000 3.972000 
1 1 1   75    5    2 o   28.670   0.8790 0.5089000 1.758000 
1 1 1   75    5    3 o   8.7090   1.9250 6.026000 3.850000 
1 1 1   75    5    4 o   21.820   1.0950 1.284000 2.190000 
1 1 1   75    5    5 o   18.830   1.2680 3.400000 2.535000 
1 1 1   75    5    6 o   25.970   0.9497 -3.362000 1.899000 
1 1 1   75    5    7 o   17.270   1.4020 -0.4246000 2.804000 
1 1 1   75    5    8 o   34.270   0.8137 -0.4111000 1.627000 
1 1 1   75    5    9 o   24.250   1.0580 -1.271000 2.116000 
1 1 1   75    5   10 o   29.280   0.9295 -4.225000 1.859000 
1 1 1   75    5   11 o   27.070   0.9942 -0.8493000 1.988000 
1 1 1   75    5   12 o   21.490   1.2120 2.835000 2.425000 
1 1 1   75    5   13 o   15.250   1.7670 1.616000 3.535000 
1 1 1   75    5   14 o   27.540   1.0280 -3.230000 2.055000 
1 1 1   75    5   15 o   27.210   1.0360 -0.8618000 2.073000 
1 1 1   75    5   16 o   23.640   1.1680 0.9439000 2.335000 
1 1 1   75    5   17 f   12.310   2.1350 -4.771000 4.271000 
1 1 1   75    5   18 o   12.950   2.0710 5.060000 4.142000 
1 1 1   75    5   19 o   8.6000   2.2240 -3.640000 4.447000 
1 1 1   75    5   20 o   9.7350   2.0370 -7.037000 4.074000 
1 1 1   75    5   21 o   6.9360   2.0060 2.878000 4.013000 
1 1 1   75    5   22 o   13.340   1.7500 -1.012000 3.499000 
1 1 1   75    5   23 o   6.1390   1.8920 -0.2321000 3.784000 
1 1 1   75    5   24 o   8.1160   2.0170 2.738000 4.035000 
1 1 1   75    6    0 o   26.080   1.3760 -0.000000 0.000000 
1 1 1   75    6    1 o   26.150   0.9590 0.9567000 1.918000 
1 1 1   75    6    2 o   41.300   0.7586 0.5397000 1.517000 
1 1 1   75    6    3 o   25.900   0.9995 2.481000 1.999000 
1 1 1   75    6    4 o   11.830   1.9990 -1.989000 3.997000 
1 1 1   75    6    5 o   5.6220   1.8270 -1.716000 3.653000 
1 1 1   75    6    6 o   16.550   1.4480 -0.2800000 2.897000 
1 1 1   75    6    7 o   31.670   0.8507 -3.985000 1.701000 
1 1 1   75    6    8 f   20.140   1.2460 -1.229000 2.491000 
1 1 1   75    6    9 o   22.370   1.1400 -3.264000 2.281000 
1 1 1   75    6   10 o   19.550   1.3820 -4.435000 2.763000 
1 1 1   75    6   11 o   20.610   1.2710 4.146000 2.543000 
1 1 1   75    6   12 o   12.440   2.0460 4.529000 4.092000 
1 1 1   75    6   13 o   32.430   0.9116 -0.7040000 1.823000 
1 1 1   75    6   14 o   10.700   1.9810 8.520000 3.962000 
1 1 1   75    6   15 o   21.880   1.2870 1.153000 2.574000 
1 1 1   75    6   16 o   10.150   2.2420 3.862000 4.484000 
1 1 1   75    6   17 o   19.820   1.4190 0.5037000 2.837000 
1 1 1   75    6   18 o   11.430   3.3220      ?      ? 
1 1 1   75    6   19 o   8.2460   2.2320 -2.047000 4.463000 
1 1 1   75    6   20 o   13.880   1.9480 6.554000 3.896000 
1 1 1   75    6   21 o   10.500   2.1460 -4.531000 4.291000 
1 1 1   75    6   22 o   15.300   1.7160 1.121000 3.431000 
1 1 1   75    6   23 o   7.1410   2.0910 -1.770000 4.182000 
1 1 1   75    6   24 o   6.6610   2.0350 -1.723000 4.071000 
1 1 1   75    7    0 o   25.110   1.4840 -0.000000 0.000000 
1 1 1   75    7    1 o   38.530   0.8228 5.933000 1.646000 
1 1 1   75    7    2 o   8.5780   1.9860 5.660000 3.972000 
1 1 1   75    7    3 o   24.860   1.0620 0.8818000E-01 2.124000 
1 1 1   75    7    4 o   12.670   1.9500 7.578000 3.899000 
1 1 1   75    7    5 o   27.400   0.9612 0.5296000 1.922000 
1 1 1   75    7    6 o   24.940   1.0530 -3.506000 2.106000 
1 1 1   75    7    7 o   43.620   0.7611 -2.898000 1.522000 
1 1 1   75    7    8 o   9.7430   2.0910 -4.363000 4.182000 
1 1 1   75    7    9 o   17.590   1.5900 -5.628000 3.180000 
1 1 1   75    7   10 o   6.7570   2.0620 -0.8658000 4.124000 
1 1 1   75    7   11 o   32.890   0.9083 0.1551000E-01 1.817000 
1 1 1   75    7   12 o   14.560   1.8750 -2.411000 3.749000 
1 1 1   75    7   13 o   6.7500   2.0870 0.9216000E-01 4.174000 
1 1 1   75    7   14 o   7.4690   2.2100 -0.2737000 4.420000 
1 1 1   75    7   15 o   20.990   1.3850 3.657000 2.770000 
1 1 1   75    7   16 o   24.490   1.1830 -1.164000 2.365000 
1 1 1   75    7   17 o   11.070   2.3010 -0.7007000 4.601000 
1 1 1   75    7   18 o   10.850   2.1580 -5.850000 4.315000 
1 1 1   75    7   19 o   12.330   2.1500 -2.394000 4.301000 
1 1 1   75    7   20 o   9.5920   2.0690 5.825000 4.137000 
1 1 1   75    7   21 o   7.6500   2.1750 1.031000 4.351000 
1 1 1   75    7   22 o   7.9690   2.1580 -1.781000 4.317000 
1 1 1   75    7   23 o   12.030   2.0540 4.830000 4.108000 
1 1 1   75    8    0 o   41.420   1.1100 -0.000000 0.000000 
1 1 1   75    8    1 o   19.280   1.4020 3.220000 2.805000 
1 1 1   75    8    2 o   16.330   1.6810 5.016000 3.361000 
1 1 1   75    8    3 o   13.080   2.0500 1.708000 4.099000 
1 1 1   75    8    4 o   14.740   1.8220 0.2033000 3.645000 
1 1 1   75    8    5 o   24.200   1.0940 -1.319000 2.189000 
1 1 1   75    8    6 o   21.720   1.2510 -2.916000 2.502000 
1 1 1   75    8    7 o   13.070   2.0020 -3.582000 4.003000 
1 1 1   75    8    8 o   7.1200   2.0900 -2.386000 4.180000 
1 1 1   75    8    9 o   42.680   0.8196 -0.8722000 1.639000 
1 1 1   75    8   10 o   27.930   1.0450 -0.3588000 2.090000 
1 1 1   75    8   11 o   13.470   2.1030 2.436000 4.207000 
1 1 1   75    8   12 o   8.1360   2.0270 -6.876000 4.054000 
1 1 1   75    8   13 o   21.850   1.4160 6.558000 2.831000 
1 1 1   75    8   14 o   15.820   1.8730 1.615000 3.746000 
1 1 1   75    8   15 o   9.4970   2.3840 0.9873000 4.767000 
1 1 1   75    8   16 o   8.0560   2.2640 -1.279000 4.529000 
1 1 1   75    8   17 o   8.1040   2.1890 3.302000 4.379000 
1 1 1   75    8   18 o   20.370   1.3790 -1.001000 2.759000 
1 1 1   75    8   19 o   7.5290   2.0940 -3.834000 4.188000 
1 1 1   75    8   20 o   12.430   2.0910 -2.955000 4.182000 
1 1 1   75    8   21 o   9.5110   2.2200 -1.708000 4.440000 
1 1 1   75    8   22 o   6.0510   1.9340 1.300000 3.869000 
1 1 1   75    9    0 o   7.4550   3.1030 -0.000000 0.000000 
1 1 1   75    9    1 f   8.7680   2.2580 1.155000 4.516000 
1 1 1   75    9    2 o   15.820   1.7500 -0.5480000 3.499000 
1 1 1   75    9    3 o   12.930   2.0870 1.517000 4.173000 
1 1 1   75    9    4 o   13.640   1.9640 -0.7096000 3.929000 
1 1 1   75    9    5 o   14.550   1.9440 0.1342000 3.888000 
1 1 1   75    9    6 o   10.620   2.2780 -3.644000 4.557000 
1 1 1   75    9    7 o   20.690   1.3800 -2.563000 2.759000 
1 1 1   75    9    8 o   19.060   1.4770 2.082000 2.955000 
1 1 1   75    9    9 o   9.6310   2.3090 -2.837000 4.619000 
1 1 1   75    9   10 o   30.810   1.0140 1.279000 2.028000 
1 1 1   75    9   11 o   22.890   1.3030 -1.081000 2.605000 
1 1 1   75    9   12 o   11.450   2.3760 2.450000 4.752000 
1 1 1   75    9   13 o   24.020   1.2580 1.207000 2.517000 
1 1 1   75    9   14 o   17.990   1.7730 4.511000 3.547000 
1 1 1   75    9   15 o   8.5700   2.3510 1.885000 4.703000 
1 1 1   75    9   16 o   8.8690   2.3560 -1.560000 4.712000 
1 1 1   75    9   17 o   10.290   2.3970 -1.088000 4.795000 
1 1 1   75    9   18 o   8.0170   2.2630 -1.604000 4.526000 
1 1 1   75    9   19 o   7.3420   2.0920 3.542000 4.185000 
1 1 1   75    9   20 o   11.070   2.0110 6.416000 4.021000 
1 1 1   75    9   21 o   8.0800   2.2200 -0.8410000 4.441000 
1 1 1   75    9   22 o   8.9110   2.2790 -1.360000 4.557000 
1 1 1   75   10    0 o   50.210   1.1670 -0.000000 0.000000 
1 1 1   75   10    1 o   22.680   1.2720 -2.321000 2.545000 
1 1 1   75   10    2 o   31.050   1.0130 -1.804000 2.027000 
1 1 1   75   10    3 o   17.960   1.6540 0.6640000 3.308000 
1 1 1   75   10    4 o   24.560   1.2300 1.449000 2.460000 
1 1 1   75   10    5 o   25.980   1.1340 3.308000 2.269000 
1 1 1   75   10    6 o   14.870   1.9870 2.826000 3.974000 
1 1 1   75   10    7 o   16.170   1.8380 2.727000 3.676000 
1 1 1   75   10    8 o   14.710   1.9970 -3.059000 3.993000 
1 1 1   75   10    9 o   21.800   1.3400 -1.527000 2.681000 
1 1 1   75   10   10 o   12.320   2.1690 6.222000 4.338000 
1 1 1   75   10   11 o   7.9440   2.2640 2.858000 4.528000 
1 1 1   75   10   12 o   24.690   1.2760 2.357000 2.553000 
1 1 1   75   10   13 o   17.280   1.7780 -2.775000 3.557000 
1 1 1   75   10   14 o   16.100   1.9070 0.7000000 3.814000 
1 1 1   75   10   15 o   8.5030   2.3430 1.178000 4.686000 
1 1 1   75   10   16 o   14.600   2.0850 2.030000 4.171000 
1 1 1   75   10   17 o   8.8000   2.3720 -0.4198000 4.744000 
1 1 1   75   10   18 o   13.350   2.1330 0.8570000 4.266000 
1 1 1   75   10   19 o   7.5040   2.0380 -5.392000 4.076000 
1 1 1   75   10   20 o   6.2010   1.9790 -0.7279000 3.958000 
1 1 1   75   10   21 o   11.020   2.1490 -5.035000 4.299000 
1 1 1   75   11    0 o   6.7300   3.0140 -0.000000 0.000000 
1 1 1   75   11    1 o   8.9430   2.3920 -0.2725000 4.783000 
1 1 1   75   11    2 o   31.190   1.0430 1.368000 2.085000 
1 1 1   75   11    3 o   16.720   1.9060 3.866000 3.811000 
1 1 1   75   11    4 o   14.300   2.1580 0.3968000 4.316000 
1 1 1   75   11    5 o   49.750   0.8521 -0.4723000 1.704000 
1 1 1   75   11    6 o   19.000   1.5950 0.5239000 3.190000 
1 1 1   75   11    7 o   23.780   1.3300 -3.646000 2.659000 
1 1 1   75   11    8 o   8.4660   2.2790 -3.219000 4.559000 
1 1 1   75   11    9 o   14.450   2.1170 2.511000 4.233000 
1 1 1   75   11   10 o   6.9140   2.1700 0.8153000E-01 4.340000 
1 1 1   75   11   11 o   15.170   2.0240 2.308000 4.049000 
1 1 1   75   11   12 o   6.0850   2.0030 -0.8673000 4.005000 
1 1 1   75   11   13 o   12.330   2.3670 1.763000 4.734000 
1 1 1   75   11   14 o   10.980   2.4040 -2.737000 4.807000 
1 1 1   75   11   15 o   12.760   2.2770 -0.9918000 4.553000 
1 1 1   75   11   16 o   10.060   2.3370 -4.342000 4.675000 
1 1 1   75   11   17 f   9.7930   2.3590 -0.9066000 4.717000 
1 1 1   75   11   18 o   11.060   2.2600 -0.4047000 4.521000 
1 1 1   75   11   19 o   9.2360   2.3070 0.1471000 4.613000 
1 1 1   75   11   20 o   11.440   2.2390 1.812000 4.478000 
1 1 1   75   12    0 o   9.4010   3.4210 -0.000000 0.000000 
1 1 1   75   12    1 o   26.280   1.2630 -4.031000 2.526000 
1 1 1   75   12    2 o   16.470   2.0250 8.890000 4.049000 
1 1 1   75   12    3 o   16.570   1.9460 -1.481000 3.891000 
1 1 1   75   12    4 o   16.230   2.0420 -5.379000 4.085000 
1 1 1   75   12    5 o   13.740   2.2530 1.177000 4.507000 
1 1 1   75   12    6 o   17.730   1.7630 2.420000 3.526000 
1 1 1   75   12    7 o   9.7700   2.3600 -3.302000 4.719000 
1 1 1   75   12    8 o   8.9290   2.4080 -1.027000 4.817000 
1 1 1   75   12    9 o   7.3290   2.2480 0.6554000 4.495000 
1 1 1   75   12   10 o   9.4320   2.4360 1.763000 4.873000 
1 1 1   75   12   11 o   7.9680   2.3070 1.805000 4.613000 
1 1 1   75   12   12 o   9.8230   2.4570 -0.5247000 4.914000 
1 1 1   75   12   13 o   24.910   1.2610 -3.546000 2.521000 
1 1 1   75   12   14 f   11.010   2.1400 -8.030000 4.279000 
1 1 1   75   12   15 o   10.360   2.2740 -4.539000 4.549000 
1 1 1   75   12   16 o   7.6360   2.2290 -1.255000 4.457000 
1 1 1   75   12   17 o   15.080   1.8860 1.467000 3.772000 
1 1 1   75   12   18 o   14.820   1.9500 3.941000 3.901000 
1 1 1   75   12   19 o   8.9510   3.8300      ?      ? 
1 1 1   75   13    0 o   7.0530   3.1260 -0.000000 0.000000 
1 1 1   75   13    1 o   7.9700   2.3560 -0.3058000 4.712000 
1 1 1   75   13    2 o   8.8570   2.4300 2.081000 4.860000 
1 1 1   75   13    3 o   9.8310   2.5000 1.633000 5.000000 
1 1 1   75   13    4 o   10.690   2.5440 1.071000 5.088000 
1 1 1   75   13    5 o   9.3920   2.4570 1.497000 4.914000 
1 1 1   75   13    6 o   13.020   2.3500 0.5443000 4.701000 
1 1 1   75   13    7 f   9.4610   2.3970 2.923000 4.794000 
1 1 1   75   13    8 o   16.680   1.9900 -4.223000 3.979000 
1 1 1   75   13    9 o   8.1290   2.3360 -2.023000 4.673000 
1 1 1   75   13   10 o   10.830   2.4680 -3.029000 4.937000 
1 1 1   75   13   11 o   11.160   2.3130 -5.410000 4.626000 
1 1 1   75   13   12 o   17.980   1.8770 -3.918000 3.754000 
1 1 1   75   13   13 o   7.1240   2.2210 -0.7893000 4.441000 
1 1 1   75   13   14 o   9.2060   2.3230 4.684000 4.646000 
1 1 1   75   13   15 o   12.340   2.3010 2.541000 4.603000 
1 1 1   75   13   16 o   9.4370   2.3710 -0.5762000 4.741000 
1 1 1   75   13   17 o   13.970   2.0840 -4.646000 4.168000 
1 1 1   75   14    0 o   9.4180   3.4640 -0.000000 0.000000 
1 1 1   75   14    1 o   10.300   2.4660 3.807000 4.932000 
1 1 1   75   14    2 o   11.210   2.5260 1.728000 5.052000 
1 1 1   75   14    3 o   10.410   2.4900 -2.896000 4.980000 
1 1 1   75   14    4 o   21.770   1.5100 -0.3724000 3.020000 
1 1 1   75   14    5 o   23.520   1.4060 -0.2755000 2.812000 
1 1 1   75   14    6 o   17.990   1.8240 -0.8186000 3.648000 
1 1 1   75   14    7 o   10.140   2.3180 -5.667000 4.636000 
1 1 1   75   14    8 o   8.6710   2.3620 -3.349000 4.724000 
1 1 1   75   14    9 o   9.0120   2.4600 1.867000 4.920000 
1 1 1   75   14   10 o   11.550   2.4350 4.804000 4.870000 
1 1 1   75   14   11 o   12.280   2.4360 0.7478000 4.873000 
1 1 1   75   14   12 o   6.1080   2.0140 -0.4704000 4.027000 
1 1 1   75   14   13 o   6.9540   2.1440 2.904000 4.288000 
1 1 1   75   14   14 o   9.2260   2.3050 -3.683000 4.610000 
1 1 1   75   14   15 o   8.8840   2.3890 1.930000 4.778000 
1 1 1   75   15    0 o   10.110   3.6310 -0.000000 0.000000 
1 1 1   75   15    1 o   8.8390   2.4450 -2.067000 4.891000 
1 1 1   75   15    2 o   9.2430   2.4830 -2.037000 4.965000 
1 1 1   75   15    3 o   15.390   2.1460 10.21000 4.291000 
1 1 1   75   15    4 o   15.670   2.1610 3.994000 4.322000 
1 1 1   75   15    5 o   9.2880   2.4540 -3.361000 4.909000 
1 1 1   75   15    6 o   8.6830   2.4550 0.9050000 4.910000 
1 1 1   75   15    7 o   19.850   1.6440 1.302000 3.287000 
1 1 1   75   15    8 o   14.060   2.2500 4.632000 4.500000 
1 1 1   75   15    9 f   7.4750   2.2610 -0.9129000E-01 4.522000 
1 1 1   75   15   10 o   8.5240   2.2850 -3.975000 4.569000 
1 1 1   75   15   11 o   7.5500   2.2870 0.4149000 4.573000 
1 1 1   75   15   12 f   10.710   2.4600 0.3711000 4.920000 
1 1 1   75   15   13 o   9.3270   2.1850 6.925000 4.370000 
1 1 1   75   16    0 o   8.7970   3.4950 -0.000000 0.000000 
1 1 1   75   16    1 o   7.9810   2.3590 1.387000 4.718000 
1 1 1   75   16    2 o   9.7390   2.5320 -0.2216000 5.064000 
1 1 1   75   16    3 o   9.3100   2.4620 -1.246000 4.925000 
1 1 1   75   16    4 o   7.2950   2.2560 0.4005000 4.512000 
1 1 1   75   16    5 o   9.7850   3.4960      ?      ? 
1 1 1   75   16    6 o   15.280   2.0620 1.211000 4.123000 
1 1 1   75   16    7 o   5.9020   1.9610 0.7421000 3.922000 
1 1 1   75   16    8 o   6.9620   2.1270 -2.151000 4.253000 
1 1 1   75   16    9 o   6.9380   2.1690 0.2894000 4.339000 
1 1 1   75   16   10 o   8.9210   2.4250 -1.213000 4.850000 
1 1 1   75   16   11 o   8.3250   3.3800      ?      ? 
1 1 1   75   17    0 o   15.270   3.0310 -0.000000 0.000000 
1 1 1   75   17    1 o   9.3270   2.4770 0.4110000E-01 4.954000 
1 1 1   75   17    2 o   11.070   2.3510 5.367000 4.702000 
1 1 1   75   17    3 o   12.420   2.4290 1.800000 4.858000 
1 1 1   75   17    4 o   9.0150   2.2720 4.697000 4.543000 
1 1 1   75   17    5 o   10.250   2.4790 -0.2896000 4.957000 
1 1 1   75   17    6 o   8.2830   2.3170 -2.957000 4.634000 
1 1 1   75   17    7 o   6.5570   2.0540 0.8180000 4.108000 
1 1 1   76    0    0 o   10.050   3.7200 -0.000000 0.000000 
1 1 1   76    0    1 o   39.730   1.1030 -0.000000 0.000000 
1 1 1   76    0    2 o   34.640   1.1780 -0.000000 0.000000 
1 1 1   76    0    3 o   29.700   1.3470 -0.000000 0.000000 
1 1 1   76    0    4 o   48.230   1.0800 -0.000000 0.000000 
1 1 1   76    0    5 o   7.6550   3.0930 -0.000000 0.000000 
1 1 1   76    0    6 o   20.250   1.8430 -0.000000 0.000000 
1 1 1   76    0    7 o   9.4150   3.1930 -0.000000 0.000000 
1 1 1   76    0    8 o   5.3000   2.5150 -0.000000 0.000000 
1 1 1   76    0    9 o   4.8670   2.3740 -0.000000 0.000000 
1 1 1   76    0   10 o   8.6250   3.2620 -0.000000 0.000000 
1 1 1   76    0   11 f   10.690   3.3260 -0.000000 0.000000 
1 1 1   76    0   12 o   5.2450   2.5340 -0.000000 0.000000 
1 1 1   76    0   13 o   7.7300   3.2050 -0.000000 0.000000 
1 1 1   76    0   14 o   10.180   3.4590 -0.000000 0.000000 
1 1 1   76    0   15 o   61.120   1.2000 -0.000000 0.000000 
1 1 1   76    0   16 o   24.210   1.8050 -0.000000 0.000000 
1 1 1   76    0   17 o   8.2330   3.3130 -0.000000 0.000000 
1 1 1   76    0   18 o   14.890   2.8840 -0.000000 0.000000 
1 1 1   76    0   19 o   9.4740   3.3540 -0.000000 0.000000 
1 1 1   76    0   20 o   10.280   3.3530 -0.000000 0.000000 
1 1 1   76    0   21 o   7.9880   3.1740 -0.000000 0.000000 
1 1 1   76    0   22 o   6.9180   2.9010 -0.000000 0.000000 
1 1 1   76    0   23 o   7.2270   2.9400 -0.000000 0.000000 
1 1 1   76    0   24 o   11.480   2.9770 -0.000000 0.000000 
1 1 1   76    0   25 o   5.5440   2.5790 -0.000000 0.000000 
1 1 1   76    1    0 o   11.620   2.9810 -0.000000 0.000000 
1 1 1   76    1    1 o   6.0700   1.9010 -2.817000 3.803000 
1 1 1   76    1    2 o   12.520   2.0160 1.349000 4.032000 
1 1 1   76    1    3 o   50.290   0.7662 0.3630000 1.532000 
1 1 1   76    1    4 o   15.680   1.7180 -3.099000 3.436000 
1 1 1   76    1    5 o   7.7080   2.1790 -0.9519000 4.358000 
1 1 1   76    1    6 o   33.880   0.8488 -1.722000 1.698000 
1 1 1   76    1    7 o   42.020   0.7986 -0.8227000 1.597000 
1 1 1   76    1    8 o   10.210   2.2500 2.865000 4.499000 
1 1 1   76    1    9 o   19.930   1.3770 -3.475000 2.754000 
1 1 1   76    1   10 o   10.900   2.2860 1.360000 4.572000 
1 1 1   76    1   11 o   13.830   2.0630 5.835000 4.126000 
1 1 1   76    1   12 o   8.3840   2.0720 6.332000 4.144000 
1 1 1   76    1   13 f   13.630   2.1090 5.028000 4.218000 
1 1 1   76    1   14 o   29.840   1.0410 -2.220000 2.083000 
1 1 1   76    1   15 o   22.350   1.4300 -3.749000 2.860000 
1 1 1   76    1   16 o   13.460   2.2090 6.210000 4.418000 
1 1 1   76    1   17 o   11.220   2.1350 7.658000 4.271000 
1 1 1   76    1   18 f   9.5850   2.2280 -5.132000 4.457000 
1 1 1   76    1   19 o   8.1780   2.3030 -0.6373000 4.605000 
1 1 1   76    1   20 o   15.560   1.8890 3.478000 3.778000 
1 1 1   76    1   21 o   13.270   2.0880 -1.843000 4.175000 
1 1 1   76    1   22 o   8.7040   2.2140 -3.161000 4.427000 
1 1 1   76    1   23 o   8.8230   2.2080 2.295000 4.415000 
1 1 1   76    1   24 o   11.380   2.1000 -0.3024000 4.200000 
1 1 1   76    1   25 o   10.780   2.1630 1.397000 4.326000 
1 1 1   76    2    0 o   57.390   0.8776 -0.000000 0.000000 
1 1 1   76    2    1 o   52.610   0.6030 -1.388000 1.206000 
1 1 1   76    2    2 o   44.440   0.5998 -1.076000 1.200000 
1 1 1   76    2    3 o   25.730   0.7957 0.7763000 1.591000 
1 1 1   76    2    4 o   44.530   0.6016 -1.045000 1.203000 
1 1 1   76    2    5 o   28.280   0.7537 2.002000 1.507000 
1 1 1   76    2    6 o   11.530   1.6710 6.808000 3.342000 
1 1 1   76    2    7 o   28.360   0.7575 3.748000 1.515000 
1 1 1   76    2    8 o   26.810   0.7864 1.086000 1.573000 
1 1 1   76    2    9 o   30.480   0.7164 0.1877000E-01 1.433000 
1 1 1   76    2   10 o   15.420   1.3650 -2.552000 2.729000 
1 1 1   76    2   11 o   38.370   0.6527 2.377000 1.305000 
1 1 1   76    2   12 o   33.520   0.7052 1.788000 1.410000 
1 1 1   76    2   13 o   14.500   1.6350 -7.751000 3.269000 
1 1 1   76    2   14 o   31.070   0.8976 5.205000 1.795000 
1 1 1   76    2   15 f   14.400   1.8130 -1.904000 3.626000 
1 1 1   76    2   16 o   7.5200   2.1650 -2.088000 4.330000 
1 1 1   76    2   17 o   9.6940   2.2300 1.224000 4.460000 
1 1 1   76    2   18 o   13.630   1.9710 -1.871000 3.941000 
1 1 1   76    2   19 o   13.030   1.9870 2.553000 3.973000 
1 1 1   76    2   20 o   7.3460   2.0890 0.1174000 4.178000 
1 1 1   76    2   21 o   13.960   2.0030 0.4460000 4.007000 
1 1 1   76    2   22 o   11.130   2.1570 3.313000 4.314000 
1 1 1   76    2   23 o   7.8160   2.1670 -0.8260000 4.335000 
1 1 1   76    2   24 o   9.0110   2.0990 -3.995000 4.198000 
1 1 1   76    2   25 o   9.1830   2.1270 -4.447000 4.254000 
1 1 1   76    3    0 o   20.980   1.3460 -0.000000 0.000000 
1 1 1   76    3    1 o   14.120   1.3770 2.623000 2.754000 
1 1 1   76    3    2 o   12.240   1.6110 -2.631000 3.222000 
1 1 1   76    3    3 o   21.850   0.9168 -2.072000 1.834000 
1 1 1   76    3    4 o   38.890   0.6257 1.923000 1.251000 
1 1 1   76    3    5 o   9.8480   1.8030 -4.830000 3.606000 
1 1 1   76    3    6 o   37.890   0.6233 -1.906000 1.247000 
1 1 1   76    3    7 o   6.2500   1.7940 -2.953000 3.589000 
1 1 1   76    3    8 o   8.7760   1.8150 5.067000 3.631000 
1 1 1   76    3    9 o   25.380   0.8373 0.4420000 1.675000 
1 1 1   76    3   10 o   40.510   0.6413 2.091000 1.283000 
1 1 1   76    3   11 o   22.490   0.9651 0.7369000 1.930000 
1 1 1   76    3   12 o   17.310   1.2590 -3.537000 2.519000 
1 1 1   76    3   13 o   18.380   1.2130 -1.069000 2.427000 
1 1 1   76    3   14 o   5.0650   1.6810 -1.470000 3.361000 
1 1 1   76    3   15 o   8.4670   1.8870 -5.925000 3.773000 
1 1 1   76    3   16 o   21.920   1.0940 -0.9411000 2.188000 
1 1 1   76    3   17 o   22.130   1.0840 1.595000 2.168000 
1 1 1   76    3   18 o   13.110   1.8130 -3.527000 3.626000 
1 1 1   76    3   19 o   21.520   1.0920 2.059000 2.183000 
1 1 1   76    3   20 o   6.4320   1.9190 1.094000 3.837000 
1 1 1   76    3   21 o   24.520   0.8969 0.8203000E-01 1.794000 
1 1 1   76    3   22 o   12.540   1.8400 1.619000 3.680000 
1 1 1   76    3   23 o   9.7890   1.9730 -4.522000 3.946000 
1 1 1   76    3   24 o   5.9630   1.8490 -0.4277000E-01 3.697000 
1 1 1   76    4    0 o   49.980   1.0120 -0.000000 0.000000 
1 1 1   76    4    1 o   62.210   0.7708 2.471000 1.542000 
1 1 1   76    4    2 o   15.810   1.4440 -0.1484000 2.888000 
1 1 1   76    4    3 o   44.420   0.7158 1.248000 1.432000 
1 1 1   76    4    4 o   29.410   0.8628 -4.616000 1.726000 
1 1 1   76    4    5 o   23.020   1.0500 -4.691000 2.100000 
1 1 1   76    4    6 o   8.6720   2.0520 -3.616000 4.105000 
1 1 1   76    4    7 o   18.180   1.3260 -3.249000 2.653000 
1 1 1   76    4    8 o   16.930   1.5010 2.468000 3.003000 
1 1 1   76    4    9 o   29.050   0.9201 0.5224000 1.840000 
1 1 1   76    4   10 o   27.540   0.9934 2.630000 1.987000 
1 1 1   76    4   11 o   15.920   1.6600 -0.4305000 3.320000 
1 1 1   76    4   12 o   6.3280   1.9710 -1.522000 3.943000 
1 1 1   76    4   13 o   23.770   1.1830 -0.6690000 2.366000 
1 1 1   76    4   14 o   15.870   1.5950 -1.528000 3.189000 
1 1 1   76    4   15 o   9.2590   2.2430 0.3635000 4.485000 
1 1 1   76    4   16 o   11.410   2.1250 -0.3863000 4.249000 
1 1 1   76    4   17 o   17.820   1.5010 1.265000 3.003000 
1 1 1   76    4   18 o   9.8530   2.1750 2.822000 4.349000 
1 1 1   76    4   19 o   15.390   1.6820 0.1874000 3.364000 
1 1 1   76    4   20 o   8.5180   2.0110 3.841000 4.022000 
1 1 1   76    4   21 o   18.170   1.1730 3.331000 2.346000 
1 1 1   76    4   22 o   10.590   1.8110 4.534000 3.621000 
1 1 1   76    4   23 o   7.4540   1.9220 2.901000 3.843000 
1 1 1   76    4   24 f   9.5580   1.9420 0.2852000 3.884000 
1 1 1   76    5    0 o   59.450   1.0920 -0.000000 0.000000 
1 1 1   76    5    1 f   38.050   0.7622 -0.2466000 1.524000 
1 1 1   76    5    2 o   39.490   0.7537 -0.1470000 1.507000 
1 1 1   76    5    3 o   39.570   0.7677 -2.560000 1.535000 
1 1 1   76    5    4 o   38.190   0.7651 2.481000 1.530000 
1 1 1   76    5    5 o   9.6260   2.1040 2.399000 4.208000 
1 1 1   76    5    6 o   33.560   0.8143 -4.947000 1.629000 
1 1 1   76    5    7 o   24.300   1.0310 1.472000 2.063000 
1 1 1   76    5    8 o   41.990   1.0720      ?      ? 
1 1 1   76    5    9 o   23.530   1.1000 -0.5158000 2.201000 
1 1 1   76    5   10 f   26.150   1.0520 -0.8931000 2.104000 
1 1 1   76    5   11 o   25.990   1.0600 -4.667000 2.119000 
1 1 1   76    5   12 o   17.950   1.5080 -2.805000 3.017000 
1 1 1   76    5   13 o   12.850   2.0680 -3.490000 4.137000 
1 1 1   76    5   14 o   25.970   1.0870 -1.324000 2.175000 
1 1 1   76    5   15 o   13.990   2.0100 -0.6608000 4.019000 
1 1 1   76    5   16 o   9.7530   2.2540 2.742000 4.507000 
1 1 1   76    5   17 o   8.2420   2.2800 -1.666000 4.560000 
1 1 1   76    5   18 o   12.830   2.1330 -4.080000 4.265000 
1 1 1   76    5   19 o   11.780   2.2120 0.8193000E-01 4.424000 
1 1 1   76    5   20 o   5.5210   1.8330 -0.7925000 3.665000 
1 1 1   76    5   21 o   10.380   2.0960 -3.118000 4.193000 
1 1 1   76    5   22 o   9.8840   2.0070 -4.484000 4.014000 
1 1 1   76    5   23 o   6.0410   1.8900 -0.5014000 3.780000 
1 1 1   76    5   24 o   13.990   1.6580 -1.536000 3.315000 
1 1 1   76    6    0 o   37.480   1.1240 -0.000000 0.000000 
1 1 1   76    6    1 o   34.760   0.8227 -0.4953000 1.645000 
1 1 1   76    6    2 o   44.030   0.7557 -2.278000 1.511000 
1 1 1   76    6    3 o   15.800   1.6650 4.946000 3.331000 
1 1 1   76    6    4 o   23.720   1.0770 -3.045000 2.154000 
1 1 1   76    6    5 o   20.940   1.2070 4.209000 2.414000 
1 1 1   76    6    6 o   26.170   0.9921 -0.9638000 1.984000 
1 1 1   76    6    7 o   18.720   1.3590 -1.780000 2.719000 
1 1 1   76    6    8 o   8.0790   2.1610 -0.7672000 4.321000 
1 1 1   76    6    9 o   20.620   1.2910 -1.706000 2.582000 
1 1 1   76    6   10 o   34.110   0.8854 -0.9216000 1.771000 
1 1 1   76    6   11 f   5.8230   1.8800 1.646000 3.761000 
1 1 1   76    6   12 o   9.0780   2.2300 2.377000 4.461000 
1 1 1   76    6   13 o   22.760   1.2290 0.7893000 2.458000 
1 1 1   76    6   14 o   9.1190   2.3080 2.118000 4.616000 
1 1 1   76    6   15 o   19.240   1.4890 2.208000 2.977000 
1 1 1   76    6   16 o   12.130   2.0370 -8.027000 4.073000 
1 1 1   76    6   17 o   22.330   1.2950 -3.269000 2.590000 
1 1 1   76    6   18 o   28.390   1.0290 -2.253000 2.057000 
1 1 1   76    6   19 o   5.5880   1.8490 -0.1623000 3.697000 
1 1 1   76    6   20 o   10.110   2.2080 -3.469000 4.416000 
1 1 1   76    6   21 o   8.3200   2.2100 -0.7972000E-01 4.421000 
1 1 1   76    6   22 o   12.280   2.0090 -2.796000 4.018000 
1 1 1   76    6   23 o   7.0850   2.1010 1.703000 4.203000 
1 1 1   76    7    0 o   40.140   1.1500 -0.000000 0.000000 
1 1 1   76    7    1 o   24.420   1.0990 -1.508000 2.199000 
1 1 1   76    7    2 o   7.6910   2.1600 0.5001000 4.321000 
1 1 1   76    7    3 o   21.050   1.2620 -1.625000 2.525000 
1 1 1   76    7    4 f   28.880   0.9594 -1.377000 1.919000 
1 1 1   76    7    5 o   35.810   0.8330 -2.027000 1.666000 
1 1 1   76    7    6 o   13.890   1.8530 -4.308000 3.705000 
1 1 1   76    7    7 o   14.100   1.8560 -2.094000 3.713000 
1 1 1   76    7    8 o   17.960   1.4720 -0.4589000E-02 2.943000 
1 1 1   76    7    9 o   14.210   1.9400 -2.205000 3.881000 
1 1 1   76    7   10 o   9.1920   2.2840 1.558000 4.567000 
1 1 1   76    7   11 o   20.910   1.3880 4.830000 2.777000 
1 1 1   76    7   12 o   8.2730   2.2470 2.633000 4.494000 
1 1 1   76    7   13 o   13.090   2.0280 8.066000 4.057000 
1 1 1   76    7   14 o   13.420   2.1510 0.6387000 4.302000 
1 1 1   76    7   15 o   9.9330   2.2880 -4.534000 4.576000 
1 1 1   76    7   16 o   13.870   2.0010 3.621000 4.002000 
1 1 1   76    7   17 o   12.140   2.1840 -3.061000 4.368000 
1 1 1   76    7   18 o   10.950   2.2160 4.442000 4.432000 
1 1 1   76    7   19 o   7.4050   2.0430 4.042000 4.085000 
1 1 1   76    7   20 o   8.3020   2.2420 0.3134000 4.484000 
1 1 1   76    7   21 o   7.2500   2.0240 3.882000 4.048000 
1 1 1   76    7   22 o   8.3280   2.1980 1.591000 4.396000 
1 1 1   76    7   23 o   7.6680   2.1270 -2.317000 4.254000 
1 1 1   76    8    0 o   15.670   2.3820 -0.000000 0.000000 
1 1 1   76    8    1 o   24.020   1.1410 -1.666000 2.282000 
1 1 1   76    8    2 o   14.960   1.8070 3.750000 3.613000 
1 1 1   76    8    3 o   17.190   1.5580 0.7289000 3.116000 
1 1 1   76    8    4 o   7.0300   2.0640 -2.113000 4.128000 
1 1 1   76    8    5 o   27.800   1.0060 3.379000 2.012000 
1 1 1   76    8    6 o   37.660   0.8366 -3.210000 1.673000 
1 1 1   76    8    7 o   14.650   1.8510 3.439000 3.702000 
1 1 1   76    8    8 o   23.310   1.1520 0.9977000E-01 2.305000 
1 1 1   76    8    9 o   30.320   0.9618 -0.4945000 1.924000 
1 1 1   76    8   10 o   24.870   1.1650 0.3821000 2.329000 
1 1 1   76    8   11 o   15.920   1.8650 5.061000 3.729000 
1 1 1   76    8   12 o   23.850   1.2080 1.147000 2.417000 
1 1 1   76    8   13 o   22.410   1.3760 -4.271000 2.752000 
1 1 1   76    8   14 o   11.390   2.2780 -4.418000 4.555000 
1 1 1   76    8   15 o   6.2090   2.0090 0.6765000 4.018000 
1 1 1   76    8   16 o   6.9570   2.1120 -2.186000 4.224000 
1 1 1   76    8   17 o   7.7950   2.2430 0.7757000 4.487000 
1 1 1   76    8   18 o   15.510   1.8490 -5.098000 3.699000 
1 1 1   76    8   19 o   8.8360   2.1720 4.003000 4.344000 
1 1 1   76    8   20 o   8.2900   2.1940 2.275000 4.388000 
1 1 1   76    8   21 o   7.9360   2.1290 3.148000 4.258000 
1 1 1   76    8   22 o   8.2070   2.1970 -0.8900000 4.393000 
1 1 1   76    9    0 o   15.480   2.6170 -0.000000 0.000000 
1 1 1   76    9    1 o   8.1820   2.1960 -2.252000 4.392000 
1 1 1   76    9    2 f   15.730   1.8010 0.8020000 3.601000 
1 1 1   76    9    3 f   24.510   1.1630 1.654000 2.327000 
1 1 1   76    9    4 o   6.8770   2.1220 0.7253000 4.243000 
1 1 1   76    9    5 o   17.280   1.6030 0.4759000 3.206000 
1 1 1   76    9    6 o   17.510   1.6510 -1.108000 3.303000 
1 1 1   76    9    7 o   21.030   1.3700 -3.481000 2.740000 
1 1 1   76    9    8 o   8.7400   2.2930 -1.562000 4.587000 
1 1 1   76    9    9 o   26.920   1.0970 1.530000 2.195000 
1 1 1   76    9   10 o   24.120   1.2150 4.619000 2.430000 
1 1 1   76    9   11 o   7.8710   2.2830 -0.8545000E-01 4.566000 
1 1 1   76    9   12 o   15.020   2.0440 6.075000 4.088000 
1 1 1   76    9   13 o   12.540   2.3220 -3.587000 4.644000 
1 1 1   76    9   14 o   11.800   2.3830 0.4178000 4.765000 
1 1 1   76    9   15 o   14.260   2.1280 0.6976000 4.257000 
1 1 1   76    9   16 o   7.4540   2.2040 -2.248000 4.408000 
1 1 1   76    9   17 o   12.470   2.2860 -0.6742000 4.572000 
1 1 1   76    9   18 o   9.0810   2.3280 -2.174000 4.655000 
1 1 1   76    9   19 o   9.2510   2.3160 0.7871000 4.632000 
1 1 1   76    9   20 o   8.3450   2.2480 0.1141000 4.495000 
1 1 1   76    9   21 o   7.7320   2.1670 1.778000 4.333000 
1 1 1   76   10    0 o   14.480   2.9730 -0.000000 0.000000 
1 1 1   76   10    1 o   16.050   1.8270 -1.012000 3.653000 
1 1 1   76   10    2 o   11.220   2.3370 3.800000 4.673000 
1 1 1   76   10    3 o   26.230   1.1560 3.087000 2.311000 
1 1 1   76   10    4 f   6.3540   2.0130 2.076000 4.025000 
1 1 1   76   10    5 o   6.4730   2.0450 -1.787000 4.089000 
1 1 1   76   10    6 o   41.750   0.8482 0.7890000 1.696000 
1 1 1   76   10    7 o   15.140   1.9800 -2.217000 3.960000 
1 1 1   76   10    8 o   18.800   1.5860 3.264000 3.172000 
1 1 1   76   10    9 o   27.620   1.1360 1.738000 2.273000 
1 1 1   76   10   10 o   7.9330   2.2600 2.040000 4.519000 
1 1 1   76   10   11 o   15.610   1.9770 3.601000 3.954000 
1 1 1   76   10   12 o   7.6010   2.2640 0.6233000 4.528000 
1 1 1   76   10   13 o   8.1460   2.3130 2.361000 4.625000 
1 1 1   76   10   14 o   6.1360   2.0000 1.051000 3.999000 
1 1 1   76   10   15 o   11.370   2.3840 1.602000 4.769000 
1 1 1   76   10   16 o   7.2520   2.2010 -1.937000 4.403000 
1 1 1   76   10   17 o   10.220   2.3160 4.127000 4.631000 
1 1 1   76   10   18 o   11.610   2.2800 -2.678000 4.560000 
1 1 1   76   10   19 o   7.1060   2.1540 0.2390000 4.308000 
1 1 1   76   10   20 o   8.8370   2.1090 -5.674000 4.218000 
1 1 1   76   11    0 o   15.110   2.9260 -0.000000 0.000000 
1 1 1   76   11    1 o   7.7690   2.2250 -2.662000 4.450000 
1 1 1   76   11    2 o   16.480   1.9850 -12.91000 3.970000 
1 1 1   76   11    3 o   19.150   1.5960 -1.288000 3.192000 
1 1 1   76   11    4 o   16.890   1.8950 -2.053000 3.789000 
1 1 1   76   11    5 o   35.000   0.9605 2.303000 1.921000 
1 1 1   76   11    6 o   20.970   1.4540 2.998000 2.908000 
1 1 1   76   11    7 o   18.130   1.6700 -3.681000 3.340000 
1 1 1   76   11    8 o   20.710   1.5200 6.969000 3.039000 
1 1 1   76   11    9 o   15.250   2.7610      ?      ? 
1 1 1   76   11   10 o   7.9160   2.2790 -0.5691000 4.558000 
1 1 1   76   11   11 o   12.590   2.3170 1.053000 4.634000 
1 1 1   76   11   12 o   15.290   2.0680 -4.361000 4.136000 
1 1 1   76   11   13 o   10.320   2.3570 4.499000 4.715000 
1 1 1   76   11   14 o   8.2610   2.2810 -3.252000 4.563000 
1 1 1   76   11   15 o   7.2010   2.1740 3.268000 4.348000 
1 1 1   76   11   16 o   9.3450   2.2600 -4.430000 4.519000 
1 1 1   76   11   17 o   7.4550   2.1840 2.137000 4.367000 
1 1 1   76   11   18 o   6.6980   2.0660 1.124000 4.132000 
1 1 1   76   11   19 o   6.8810   2.1120 0.2995000E-01 4.225000 
1 1 1   76   12    0 o   19.410   2.2610 -0.000000 0.000000 
1 1 1   76   12    1 o   13.000   2.3390 -4.136000 4.677000 
1 1 1   76   12    2 o   15.070   2.0810 8.085000 4.162000 
1 1 1   76   12    3 o   13.880   2.2570 0.3103000 4.514000 
1 1 1   76   12    4 o   14.030   2.1880 -2.752000 4.377000 
1 1 1   76   12    5 o   36.080   0.9691 1.440000 1.938000 
1 1 1   76   12    6 o   29.420   1.1110 -0.5266000 2.221000 
1 1 1   76   12    7 o   12.400   2.2910 4.075000 4.582000 
1 1 1   76   12    8 o   25.080   1.2610 0.2329000 2.521000 
1 1 1   76   12    9 o   11.160   2.4110 -2.513000 4.822000 
1 1 1   76   12   10 o   14.130   2.1350 -5.685000 4.270000 
1 1 1   76   12   11 o   14.330   2.1990 1.014000 4.398000 
1 1 1   76   12   12 o   15.010   2.1220 -4.490000 4.243000 
1 1 1   76   12   13 o   11.600   2.3800 2.535000 4.761000 
1 1 1   76   12   14 o   9.6430   2.4350 -0.8804000 4.870000 
1 1 1   76   12   15 o   13.170   2.1610 -3.973000 4.323000 
1 1 1   76   12   16 o   10.290   2.3390 2.640000 4.678000 
1 1 1   76   12   17 o   7.3510   2.1930 0.4561000 4.385000 
1 1 1   76   12   18 o   7.9390   2.1860 -2.044000 4.372000 
1 1 1   76   13    0 o   8.8120   3.4580 -0.000000 0.000000 
1 1 1   76   13    1 o   16.000   2.0370 0.1173000E-02 4.074000 
1 1 1   76   13    2 o   7.3050   2.2500 -0.8440000 4.500000 
1 1 1   76   13    3 o   19.830   1.6700 -0.9917000 3.340000 
1 1 1   76   13    4 o   14.500   2.2630 0.2910000 4.525000 
1 1 1   76   13    5 o   12.410   2.4270 2.504000 4.855000 
1 1 1   76   13    6 o   8.4460   2.3110 3.288000 4.621000 
1 1 1   76   13    7 o   12.240   2.3860 0.6594000 4.772000 
1 1 1   76   13    8 o   11.600   2.3780 -3.638000 4.755000 
1 1 1   76   13    9 o   8.6180   2.4120 -1.923000 4.824000 
1 1 1   76   13   10 o   6.7140   2.1570 -0.2279000E-01 4.313000 
1 1 1   76   13   11 o   7.7990   2.3300 -0.9054000E-01 4.660000 
1 1 1   76   13   12 o   7.3000   2.2400 0.8001000 4.480000 
1 1 1   76   13   13 o   10.270   2.4680 -0.9418000 4.936000 
1 1 1   76   13   14 o   14.100   2.1690 1.301000 4.338000 
1 1 1   76   13   15 o   6.6240   2.0220 -4.039000 4.045000 
1 1 1   76   13   16 f   9.6750   2.2820 4.231000 4.564000 
1 1 1   76   13   17 o   8.5340   2.3820 1.168000 4.764000 
1 1 1   76   14    0 o   8.8700   3.4200 -0.000000 0.000000 
1 1 1   76   14    1 o   12.260   2.4460 1.327000 4.891000 
1 1 1   76   14    2 o   14.590   2.2290 2.440000 4.458000 
1 1 1   76   14    3 o   10.010   2.2240 7.268000 4.449000 
1 1 1   76   14    4 o   9.2800   2.4590 -2.064000 4.918000 
1 1 1   76   14    5 f   13.420   2.3900 0.4593000 4.780000 
1 1 1   76   14    6 o   8.9090   2.4090 2.931000 4.819000 
1 1 1   76   14    7 o   15.240   2.1350 1.832000 4.271000 
1 1 1   76   14    8 o   11.570   2.5000 2.061000 5.001000 
1 1 1   76   14    9 o   11.080   2.4170 4.962000 4.834000 
1 1 1   76   14   10 o   9.8740   2.3550 -5.153000 4.710000 
1 1 1   76   14   11 f   7.0190   2.1840 -0.9812000 4.368000 
1 1 1   76   14   12 o   12.140   2.3570 -1.462000 4.714000 
1 1 1   76   14   13 o   7.8490   2.2920 -1.967000 4.583000 
1 1 1   76   14   14 o   10.100   2.3970 -1.862000 4.794000 
1 1 1   76   14   15 o   8.1500   2.2470 -3.553000 4.493000 
1 1 1   76   15    0 o   8.0970   3.4050 -0.000000 0.000000 
1 1 1   76   15    1 o   7.9340   2.3270 -3.135000 4.654000 
1 1 1   76   15    2 o   15.930   2.1400 2.325000 4.280000 
1 1 1   76   15    3 o   14.210   2.2480 6.833000 4.496000 
1 1 1   76   15    4 o   12.040   2.5100 0.3832000 5.020000 
1 1 1   76   15    5 o   11.990   2.4520 3.294000 4.904000 
1 1 1   76   15    6 o   11.200   2.4650 -3.766000 4.930000 
1 1 1   76   15    7 o   8.7760   2.4210 2.104000 4.842000 
1 1 1   76   15    8 o   8.5960   2.2800 4.898000 4.559000 
1 1 1   76   15    9 o   10.720   2.4500 2.335000 4.901000 
1 1 1   76   15   10 o   9.8870   2.4220 -3.018000 4.844000 
1 1 1   76   15   11 o   9.8980   2.5000 -0.3606000 4.999000 
1 1 1   76   15   12 o   7.3030   2.1280 -4.383000 4.257000 
1 1 1   76   15   13 o   7.6300   2.2880 -0.5915000 4.576000 
1 1 1   76   16    0 o   15.530   3.0720 -0.000000 0.000000 
1 1 1   76   16    1 o   8.2970   2.3810 1.543000 4.761000 
1 1 1   76   16    2 o   9.0890   2.3970 4.059000 4.795000 
1 1 1   76   16    3 f   9.2320   2.4470 0.2599000 4.894000 
1 1 1   76   16    4 o   6.1670   2.0320 0.2182000 4.063000 
1 1 1   76   16    5 o   10.120   3.4970      ?      ? 
1 1 1   76   16    6 o   7.8620   2.2700 -2.392000 4.539000 
1 1 1   76   16    7 o   10.370   2.2010 -6.174000 4.401000 
1 1 1   76   16    8 o   6.6910   2.1020 3.047000 4.205000 
1 1 1   76   16    9 o   10.630   2.4480 1.314000 4.896000 
1 1 1   76   16   10 o   10.450   2.3970 -4.051000 4.794000 
1 1 1   76   17    0 o   10.470   3.5830 -0.000000 0.000000 
1 1 1   76   17    1 o   10.040   2.4880 -0.3218000E-01 4.975000 
1 1 1   76   17    2 o   10.510   2.4910 -0.4289000 4.981000 
1 1 1   76   17    3 o   7.3330   2.2360 -2.123000 4.471000 
1 1 1   76   17    4 o   10.460   2.4780 0.3881000 4.956000 
1 1 1   76   17    5 o   9.8460   2.3770 3.118000 4.755000 
1 1 1   76   17    6 f   7.6360   2.2280 -3.512000 4.455000 
1 1 1   77    0    1 o   11.890   3.1170 -0.000000 0.000000 
1 1 1   77    0    2 o   44.210   1.1000 -0.000000 0.000000 
1 1 1   77    0    3 o   7.3650   3.0260 -0.000000 0.000000 
1 1 1   77    0    4 o   31.880   1.3300 -0.000000 0.000000 
1 1 1   77    0    5 o   39.450   1.1480 -0.000000 0.000000 
1 1 1   77    0    6 o   32.980   1.2470 -0.000000 0.000000 
1 1 1   77    0    7 o   51.310   1.1090 -0.000000 0.000000 
1 1 1   77    0    8 o   5.1260   2.4730 -0.000000 0.000000 
1 1 1   77    0    9 o   37.080   1.2250 -0.000000 0.000000 
1 1 1   77    0   10 o   21.390   1.8840 -0.000000 0.000000 
1 1 1   77    0   11 o   20.680   2.0050 -0.000000 0.000000 
1 1 1   77    0   12 o   38.050   1.2550 -0.000000 0.000000 
1 1 1   77    0   13 o   17.950   2.4390 -0.000000 0.000000 
1 1 1   77    0   14 o   6.8170   3.0170 -0.000000 0.000000 
1 1 1   77    0   15 o   6.3340   2.9490 -0.000000 0.000000 
1 1 1   77    0   16 o   31.760   1.4280 -0.000000 0.000000 
1 1 1   77    0   17 o   11.470   3.4460 -0.000000 0.000000 
1 1 1   77    0   18 o   18.290   2.3920 -0.000000 0.000000 
1 1 1   77    0   19 o   16.790   2.5170 -0.000000 0.000000 
1 1 1   77    0   20 o   9.3070   3.3020 -0.000000 0.000000 
1 1 1   77    0   21 o   9.0850   3.2270 -0.000000 0.000000 
1 1 1   77    0   22 o   6.8760   2.9180 -0.000000 0.000000 
1 1 1   77    0   23 o   4.9450   2.3510 -0.000000 0.000000 
1 1 1   77    0   24 o   6.9610   2.9390 -0.000000 0.000000 
1 1 1   77    1    0 o   28.200   1.3700 -0.000000 0.000000 
1 1 1   77    1    1 o   35.520   0.8362 -2.087000 1.672000 
1 1 1   77    1    2 o   30.770   0.9242 1.219000 1.848000 
1 1 1   77    1    3 o   35.840   0.8481 2.180000 1.696000 
1 1 1   77    1    4 o   8.6280   2.1630 -4.423000 4.326000 
1 1 1   77    1    5 o   17.030   1.6940 3.991000 3.388000 
1 1 1   77    1    6 o   19.350   1.3860 1.841000 2.772000 
1 1 1   77    1    7 o   13.970   1.9900 4.249000 3.979000 
1 1 1   77    1    8 o   13.640   1.9980 -6.179000 3.996000 
1 1 1   77    1    9 o   12.600   2.1880 -0.4370000 4.376000 
1 1 1   77    1   10 o   11.180   2.3180 -1.159000 4.636000 
1 1 1   77    1   11 o   27.890   1.0790 0.5645000 2.158000 
1 1 1   77    1   12 o   24.940   1.2060 -2.098000 2.411000 
1 1 1   77    1   13 o   14.470   2.0760 1.157000 4.152000 
1 1 1   77    1   14 o   16.350   1.9250 0.8997000 3.849000 
1 1 1   77    1   15 o   16.980   1.8730 -3.033000 3.746000 
1 1 1   77    1   16 o   9.5510   2.4150 -0.4147000 4.830000 
1 1 1   77    1   17 o   23.030   1.3430 1.804000 2.686000 
1 1 1   77    1   18 f   18.620   1.6680 -2.636000 3.335000 
1 1 1   77    1   19 o   20.260   1.4750 2.126000 2.950000 
1 1 1   77    1   20 o   9.1680   2.3160 1.612000 4.632000 
1 1 1   77    1   21 f   9.5180   2.1000 -5.980000 4.199000 
1 1 1   77    1   22 o   17.710   1.5110 -1.639000 3.023000 
1 1 1   77    1   23 o   6.4520   1.9990 -0.3653000E-01 3.997000 
1 1 1   77    1   24 o   6.8770   1.9980 3.420000 3.996000 
1 1 1   77    2    0 o   19.190   1.4850 -0.000000 0.000000 
1 1 1   77    2    1 o   25.780   0.8029 -0.1968000 1.606000 
1 1 1   77    2    2 o   17.820   1.2230 8.085000 2.447000 
1 1 1   77    2    3 o   24.780   0.8281 1.664000 1.656000 
1 1 1   77    2    4 o   7.3540   1.8190 4.429000 3.638000 
1 1 1   77    2    5 o   36.660   0.6532 2.730000 1.306000 
1 1 1   77    2    6 o   11.460   1.7120 4.286000 3.424000 
1 1 1   77    2    7 o   28.870   0.7690 3.596000 1.538000 
1 1 1   77    2    8 o   7.0940   1.9460 -2.117000 3.892000 
1 1 1   77    2    9 o   15.650   1.3410 2.287000 2.681000 
1 1 1   77    2   10 o   9.0320   1.9650 2.961000 3.930000 
1 1 1   77    2   11 o   15.530   1.4810 -7.000000 2.962000 
1 1 1   77    2   12 o   6.9040   1.8670 3.625000 3.734000 
1 1 1   77    2   13 o   21.940   1.0140 -1.772000 2.027000 
1 1 1   77    2   14 o   19.750   1.3670 0.4619000 2.734000 
1 1 1   77    2   15 o   24.380   1.1220 0.2939000 2.245000 
1 1 1   77    2   16 o   12.570   2.1230 -1.596000 4.246000 
1 1 1   77    2   17 o   13.650   1.9790 0.9593000 3.957000 
1 1 1   77    2   18 o   7.6940   2.1770 0.4130000 4.354000 
1 1 1   77    2   19 o   9.1850   1.9060 -8.659000 3.811000 
1 1 1   77    2   20 o   8.9090   2.0390 7.530000 4.077000 
1 1 1   77    2   21 o   16.570   1.7010 -3.118000 3.402000 
1 1 1   77    2   22 o   8.6940   2.2310 -0.9763000 4.462000 
1 1 1   77    2   23 o   8.0180   2.1150 -2.647000 4.230000 
1 1 1   77    2   24 o   6.2020   1.8770 -3.825000 3.753000 
1 1 1   77    3    0 f   7.7330   2.7660 -0.000000 0.000000 
1 1 1   77    3    1 o   33.890   0.6647 0.6182000 1.329000 
1 1 1   77    3    2 o   21.600   0.9476 -2.759000 1.895000 
1 1 1   77    3    3 o   10.560   1.7760 -4.558000 3.552000 
1 1 1   77    3    4 o   18.130   1.1220 2.464000 2.243000 
1 1 1   77    3    5 o   31.740   0.6958 -0.7759000E-01 1.392000 
1 1 1   77    3    6 o   7.9900   1.8500 -4.329000 3.701000 
1 1 1   77    3    7 o   26.370   0.7949 -1.147000 1.590000 
1 1 1   77    3    8 f   18.730   1.1150 -0.3131000 2.230000 
1 1 1   77    3    9 o   12.750   1.6750 -2.814000 3.350000 
1 1 1   77    3   10 o   20.970   1.0420 0.1475000 2.085000 
1 1 1   77    3   11 o   30.600   0.7593 1.042000 1.519000 
1 1 1   77    3   12 o   15.460   1.4380 1.192000 2.876000 
1 1 1   77    3   13 o   48.570   0.6540 3.318000 1.308000 
1 1 1   77    3   14 o   6.5580   1.9570 1.047000 3.915000 
1 1 1   77    3   15 o   10.320   2.0960 -1.856000 4.192000 
1 1 1   77    3   16 o   23.950   1.0340 -2.253000 2.068000 
1 1 1   77    3   17 o   21.230   1.1320 2.326000 2.265000 
1 1 1   77    3   18 o   20.660   1.1710 1.667000 2.343000 
1 1 1   77    3   19 o   8.4220   2.0480 2.583000 4.096000 
1 1 1   77    3   20 f   11.050   1.9390 0.4905000 3.878000 
1 1 1   77    3   21 o   7.2230   2.0760 -1.560000 4.152000 
1 1 1   77    3   22 o   7.9020   1.9110 3.907000 3.823000 
1 1 1   77    3   23 o   10.050   1.9500 3.666000 3.899000 
1 1 1   77    3   24 o   5.4650   1.7420 1.278000 3.483000 
1 1 1   77    4    0 o   23.610   1.4550 -0.000000 0.000000 
1 1 1   77    4    1 o   17.110   1.3830 -1.339000 2.767000 
1 1 1   77    4    2 f   11.690   1.9770 0.3087000 3.955000 
1 1 1   77    4    3 o   12.100   1.9500 0.7253000 3.900000 
1 1 1   77    4    4 o   17.900   1.3460 3.797000 2.693000 
1 1 1   77    4    5 o   33.920   0.7980 3.039000 1.596000 
1 1 1   77    4    6 o   13.590   1.7620 -3.653000 3.524000 
1 1 1   77    4    7 f   25.720   0.9682 -0.4406000 1.936000 
1 1 1   77    4    8 o   18.410   1.3690 -1.569000 2.737000 
1 1 1   77    4    9 o   23.060   1.1020 -1.535000 2.204000 
1 1 1   77    4   10 f   29.280   0.9396 -1.078000 1.879000 
1 1 1   77    4   11 o   10.600   2.1820 1.506000 4.364000 
1 1 1   77    4   12 o   18.020   1.4500 0.1863000 2.900000 
1 1 1   77    4   13 o   9.0890   2.1050 5.401000 4.211000 
1 1 1   77    4   14 o   7.8830   2.1670 0.9269000 4.334000 
1 1 1   77    4   15 o   23.270   1.1730 3.009000 2.347000 
1 1 1   77    4   16 o   20.200   1.2890 -3.089000 2.578000 
1 1 1   77    4   17 o   21.050   1.2860 1.304000 2.571000 
1 1 1   77    4   18 o   22.920   1.1970 4.779000 2.394000 
1 1 1   77    4   19 o   8.3320   2.1860 -1.367000 4.372000 
1 1 1   77    4   20 f   7.2260   1.9320 2.886000 3.865000 
1 1 1   77    4   21 o   10.520   1.9170 1.059000 3.834000 
1 1 1   77    4   22 o   5.7470   1.7850 0.4278000 3.570000 
1 1 1   77    4   23 o   17.060   1.2220 -4.317000 2.443000 
1 1 1   77    4   24 o   14.790   1.4450 -6.927000 2.889000 
1 1 1   77    5    0 o   35.410   1.1610 -0.000000 0.000000 
1 1 1   77    5    1 o   6.2990   1.9610 -0.1521000 3.923000 
1 1 1   77    5    2 o   19.190   1.2770 -0.6097000 2.553000 
1 1 1   77    5    3 o   38.790   0.7870 -0.1361000 1.574000 
1 1 1   77    5    4 o   45.410   0.7462 -1.942000 1.492000 
1 1 1   77    5    5 f   31.500   0.8694 -1.195000 1.739000 
1 1 1   77    5    6 o   9.0730   2.1720 2.066000 4.344000 
1 1 1   77    5    7 o   10.110   2.1280 -3.088000 4.256000 
1 1 1   77    5    8 o   37.400   0.8212 -1.509000 1.642000 
1 1 1   77    5    9 o   14.100   1.9280 5.152000 3.856000 
1 1 1   77    5   10 o   9.7000   2.1640 -4.278000 4.328000 
1 1 1   77    5   11 o   14.530   1.8680 -0.5513000 3.735000 
1 1 1   77    5   12 o   6.8680   2.0970 0.9111000E-01 4.193000 
1 1 1   77    5   13 o   12.000   2.2160 -2.858000 4.433000 
1 1 1   77    5   14 o   11.240   2.1070 -6.850000 4.215000 
1 1 1   77    5   15 o   24.140   1.1660 2.214000 2.332000 
1 1 1   77    5   16 o   12.050   2.2410 -1.529000 4.482000 
1 1 1   77    5   17 o   7.6220   2.1370 2.901000 4.274000 
1 1 1   77    5   18 o   9.8210   2.2590 -3.685000 4.519000 
1 1 1   77    5   19 o   19.730   1.3720 0.1327000 2.743000 
1 1 1   77    5   20 o   7.2700   2.1090 1.652000 4.218000 
1 1 1   77    5   21 o   8.8170   1.9950 3.821000 3.989000 
1 1 1   77    5   22 o   10.010   2.0460 -2.049000 4.092000 
1 1 1   77    5   23 o   6.6660   1.9830 -1.008000 3.967000 
1 1 1   77    6    0 o   19.630   1.8970 -0.000000 0.000000 
1 1 1   77    6    1 o   23.410   1.1170 3.322000 2.235000 
1 1 1   77    6    2 f   15.470   1.7430 -3.566000 3.486000 
1 1 1   77    6    3 o   25.500   1.0550 1.662000 2.111000 
1 1 1   77    6    4 f   21.720   1.2140 -4.921000 2.428000 
1 1 1   77    6    5 o   17.110   1.6100 6.107000 3.220000 
1 1 1   77    6    6 o   23.550   1.0900 -1.179000 2.180000 
1 1 1   77    6    7 o   12.940   1.9790 -3.164000 3.958000 
1 1 1   77    6    8 o   13.430   1.9170 -3.714000 3.834000 
1 1 1   77    6    9 o   33.370   0.8760 2.391000 1.752000 
1 1 1   77    6   10 f   17.320   1.6710 -6.756000 3.341000 
1 1 1   77    6   11 o   9.2150   2.2140 -3.817000 4.428000 
1 1 1   77    6   12 o   14.950   1.8710 -0.9724000 3.743000 
1 1 1   77    6   13 o   6.2780   2.0130 0.2382000 4.027000 
1 1 1   77    6   14 o   7.6600   2.2280 -2.110000 4.457000 
1 1 1   77    6   15 o   12.330   1.9950 8.899000 3.990000 
1 1 1   77    6   16 o   7.6010   2.2110 -2.130000 4.423000 
1 1 1   77    6   17 o   7.2260   2.0760 3.462000 4.153000 
1 1 1   77    6   18 o   12.970   2.0900 2.578000 4.180000 
1 1 1   77    6   19 o   8.9590   2.2220 2.514000 4.444000 
1 1 1   77    6   20 o   6.0600   1.9400 0.7552000 3.881000 
1 1 1   77    6   21 o   9.0850   2.2660 0.3255000 4.532000 
1 1 1   77    6   22 f   8.6650   2.2120 1.781000 4.423000 
1 1 1   77    6   23 o   7.0340   2.0990 -0.6556000 4.197000 
1 1 1   77    7    0 o   14.900   2.4800 -0.000000 0.000000 
1 1 1   77    7    1 o   22.490   1.2140 4.865000 2.429000 
1 1 1   77    7    2 o   11.060   3.1520      ?      ? 
1 1 1   77    7    3 o   28.010   0.9772 -1.401000 1.954000 
1 1 1   77    7    4 o   9.0700   2.1440 4.293000 4.288000 
1 1 1   77    7    5 o   22.210   1.1710 1.093000 2.342000 
1 1 1   77    7    6 o   25.470   1.5420      ?      ? 
1 1 1   77    7    7 o   30.230   0.9500 1.583000 1.900000 
1 1 1   77    7    8 o   21.380   1.2560 1.678000 2.512000 
1 1 1   77    7    9 o   23.230   1.2110 0.6954000 2.423000 
1 1 1   77    7   10 o   26.330   1.0640 -2.400000 2.129000 
1 1 1   77    7   11 o   6.6980   2.0580 2.859000 4.116000 
1 1 1   77    7   12 o   19.530   1.4940 -1.496000 2.989000 
1 1 1   77    7   13 o   16.620   1.8020 -1.458000 3.603000 
1 1 1   77    7   14 o   15.620   1.9360 -3.415000 3.873000 
1 1 1   77    7   15 o   24.570   1.1840 2.273000 2.367000 
1 1 1   77    7   16 o   14.150   2.0380 -5.541000 4.076000 
1 1 1   77    7   17 o   7.9760   2.2090 2.574000 4.419000 
1 1 1   77    7   18 o   8.6560   2.1300 -4.899000 4.260000 
1 1 1   77    7   19 o   7.8180   2.2040 -0.7449000 4.408000 
1 1 1   77    7   20 o   13.950   1.9360 -2.549000 3.872000 
1 1 1   77    7   21 o   13.370   1.9580 -0.1205000 3.916000 
1 1 1   77    7   22 o   9.6450   2.0770 6.042000 4.154000 
1 1 1   77    8    0 o   9.3720   3.2660 -0.000000 0.000000 
1 1 1   77    8    1 o   38.740   0.8242 1.123000 1.648000 
1 1 1   77    8    2 o   21.390   1.2800 3.069000 2.560000 
1 1 1   77    8    3 o   13.580   1.9210 7.249000 3.842000 
1 1 1   77    8    4 o   15.560   1.7880 3.199000 3.575000 
1 1 1   77    8    5 o   25.330   1.0780 -3.757000 2.156000 
1 1 1   77    8    6 o   33.020   0.9257 -3.602000 1.851000 
1 1 1   77    8    7 o   7.0550   2.1270 0.6357000 4.253000 
1 1 1   77    8    8 f   6.6250   2.0230 -3.149000 4.046000 
1 1 1   77    8    9 o   19.450   1.4830 2.339000 2.965000 
1 1 1   77    8   10 o   11.220   2.3100 0.3846000E-01 4.621000 
1 1 1   77    8   11 o   9.7530   2.3880 0.8103000 4.775000 
1 1 1   77    8   12 o   10.860   2.3530 1.794000 4.705000 
1 1 1   77    8   13 o   39.010   0.8894 0.8090000 1.779000 
1 1 1   77    8   14 o   14.810   2.0640 -4.559000 4.127000 
1 1 1   77    8   15 o   7.6370   2.2330 -0.4591000 4.467000 
1 1 1   77    8   16 o   11.170   2.3710 1.997000 4.743000 
1 1 1   77    8   17 o   5.5110   1.8430 -1.999000 3.686000 
1 1 1   77    8   18 o   8.4100   2.2780 0.4113000 4.556000 
1 1 1   77    8   19 o   7.4100   2.0690 -4.026000 4.138000 
1 1 1   77    8   20 o   12.300   2.0310 -4.920000 4.062000 
1 1 1   77    8   21 o   14.700   1.8150 -1.417000 3.629000 
1 1 1   77    8   22 o   11.250   2.0860 -5.841000 4.171000 
1 1 1   77    9    0 o   10.290   3.3090 -0.000000 0.000000 
1 1 1   77    9    1 o   11.460   2.2220 -2.889000 4.445000 
1 1 1   77    9    2 o   29.390   1.0270 -1.119000 2.054000 
1 1 1   77    9    3 o   32.470   0.9252 -0.8301000 1.850000 
1 1 1   77    9    4 o   39.950   0.8610 -0.6329000 1.722000 
1 1 1   77    9    5 f   10.390   2.2810 1.973000 4.561000 
1 1 1   77    9    6 o   12.670   2.1480 -0.2543000 4.297000 
1 1 1   77    9    7 o   25.030   1.1530 3.661000 2.305000 
1 1 1   77    9    8 o   14.050   1.9960 1.186000 3.993000 
1 1 1   77    9    9 o   8.7010   2.2910 2.554000 4.582000 
1 1 1   77    9   10 o   20.240   1.4830 3.424000 2.967000 
1 1 1   77    9   11 o   11.200   2.3960 -1.792000 4.793000 
1 1 1   77    9   12 o   22.850   1.3390 -3.049000 2.677000 
1 1 1   77    9   13 o   26.830   1.1600 2.065000 2.320000 
1 1 1   77    9   14 o   10.110   2.3970 -2.832000 4.793000 
1 1 1   77    9   15 o   16.590   1.8380 1.854000 3.676000 
1 1 1   77    9   16 f   12.510   2.2340 3.073000 4.468000 
1 1 1   77    9   17 o   9.4380   2.3020 -3.670000 4.604000 
1 1 1   77    9   18 o   6.6150   2.0850 0.4420000 4.169000 
1 1 1   77    9   19 o   13.530   2.0220 -3.216000 4.043000 
1 1 1   77    9   20 o   7.0650   2.0930 -2.345000 4.186000 
1 1 1   77    9   21 o   7.8270   2.1760 -1.332000 4.352000 
1 1 1   77   10    0 o   28.000   1.6370 -0.000000 0.000000 
1 1 1   77   10    1 o   27.090   1.1150 -1.795000 2.230000 
1 1 1   77   10    2 o   9.5680   2.3860 -1.855000 4.772000 
1 1 1   77   10    3 o   6.4680   2.0740 0.3186000 4.149000 
1 1 1   77   10    4 o   11.720   2.3030 3.183000 4.607000 
1 1 1   77   10    5 o   15.950   1.9120 7.854000 3.824000 
1 1 1   77   10    6 o   31.120   1.0300 -0.3200000 2.060000 
1 1 1   77   10    7 o   9.1420   2.3960 0.7762000 4.793000 
1 1 1   77   10    8 o   8.0370   2.3110 -0.4443000 4.622000 
1 1 1   77   10    9 o   8.2950   2.3470 0.8835000 4.695000 
1 1 1   77   10   10 o   22.800   1.3640 -0.5042000 2.729000 
1 1 1   77   10   11 f   16.510   1.8560 1.342000 3.712000 
1 1 1   77   10   12 f   15.150   2.0790 -4.209000 4.157000 
1 1 1   77   10   13 o   9.3440   2.3800 -2.130000 4.761000 
1 1 1   77   10   14 o   9.0040   2.3930 -1.109000 4.786000 
1 1 1   77   10   15 o   10.110   2.4080 -1.949000 4.816000 
1 1 1   77   10   16 o   6.0780   1.9950 0.7669000 3.990000 
1 1 1   77   10   17 o   11.730   2.3020 -2.725000 4.604000 
1 1 1   77   10   18 o   6.7620   2.0830 -1.979000 4.166000 
1 1 1   77   10   19 o   17.000   1.6910 4.665000 3.381000 
1 1 1   77   10   20 o   9.0340   2.2910 -0.8783000 4.583000 
1 1 1   77   11    0 o   9.6140   3.4800 -0.000000 0.000000 
1 1 1   77   11    1 o   9.0970   2.3630 2.231000 4.726000 
1 1 1   77   11    2 o   8.5740   2.1250 -6.616000 4.250000 
1 1 1   77   11    3 o   25.520   1.2580 1.912000 2.516000 
1 1 1   77   11    4 o   41.690   0.8807 3.303000 1.761000 
1 1 1   77   11    5 f   24.590   1.2720 2.872000 2.545000 
1 1 1   77   11    6 o   22.500   1.3720 -1.272000 2.744000 
1 1 1   77   11    7 o   11.210   2.1670 -7.100000 4.334000 
1 1 1   77   11    8 o   8.9360   2.3490 2.821000 4.699000 
1 1 1   77   11    9 o   20.020   1.5230 2.394000 3.046000 
1 1 1   77   11   10 o   7.6070   2.2550 1.342000 4.509000 
1 1 1   77   11   11 o   9.1110   2.3890 -0.6960000 4.778000 
1 1 1   77   11   12 o   20.140   1.5480 -0.4894000 3.095000 
1 1 1   77   11   13 o   7.8640   2.2910 1.496000 4.583000 
1 1 1   77   11   14 o   12.260   2.3450 0.7455000 4.691000 
1 1 1   77   11   15 o   7.7530   2.2640 2.164000 4.529000 
1 1 1   77   11   16 o   8.4600   2.3330 1.494000 4.665000 
1 1 1   77   11   17 o   6.3300   2.0150 -0.5824000 4.030000 
1 1 1   77   11   18 o   9.9200   2.2700 -3.288000 4.541000 
1 1 1   77   11   19 o   10.620   2.2980 1.057000 4.596000 
1 1 1   77   12    0 o   9.8050   3.4570 -0.000000 0.000000 
1 1 1   77   12    1 o   20.560   1.5720 -2.523000 3.144000 
1 1 1   77   12    2 o   13.180   2.3220 -0.9998000 4.645000 
1 1 1   77   12    3 o   12.840   2.3650 -1.388000 4.730000 
1 1 1   77   12    4 o   8.0600   2.3570 -0.8355000 4.714000 
1 1 1   77   12    5 o   19.690   1.5690 -0.4242000 3.138000 
1 1 1   77   12    6 o   8.3380   2.3640 -0.8116000E-01 4.729000 
1 1 1   77   12    7 o   9.6350   2.3380 4.072000 4.676000 
1 1 1   77   12    8 f   15.800   2.0060 -1.458000 4.012000 
1 1 1   77   12    9 o   9.8500   2.3440 -3.716000 4.687000 
1 1 1   77   12   10 o   13.630   2.2140 -3.563000 4.428000 
1 1 1   77   12   11 o   11.660   2.4160 -1.694000 4.831000 
1 1 1   77   12   12 o   10.400   2.3510 5.720000 4.701000 
1 1 1   77   12   13 o   11.350   2.4250 2.495000 4.849000 
1 1 1   77   12   14 o   12.200   2.1780 6.321000 4.355000 
1 1 1   77   12   15 o   6.3830   2.0470 0.3151000 4.093000 
1 1 1   77   12   16 o   8.5630   2.2330 -3.490000 4.467000 
1 1 1   77   12   17 o   5.6230   1.8720 0.6189000 3.745000 
1 1 1   77   12   18 o   13.610   2.7190 -5.390000 5.438000 
1 1 1   77   13    0 o   14.490   3.2150 -0.000000 0.000000 
1 1 1   77   13    1 o   10.320   2.4770 -1.439000 4.953000 
1 1 1   77   13    2 o   12.900   2.4180 -1.311000 4.836000 
1 1 1   77   13    3 o   8.6950   2.4160 -2.534000 4.833000 
1 1 1   77   13    4 o   19.220   1.7560 -4.091000 3.511000 
1 1 1   77   13    5 o   13.280   2.2500 5.250000 4.501000 
1 1 1   77   13    6 o   9.3700   2.4150 2.184000 4.830000 
1 1 1   77   13    7 o   8.4800   2.3270 2.793000 4.653000 
1 1 1   77   13    8 o   11.600   2.1210 -8.718000 4.243000 
1 1 1   77   13    9 o   8.3020   2.2720 -4.099000 4.545000 
1 1 1   77   13   10 f   7.9660   2.2700 4.198000 4.540000 
1 1 1   77   13   11 o   11.810   2.4590 2.310000 4.918000 
1 1 1   77   13   12 o   8.8730   2.3930 0.8419000 4.785000 
1 1 1   77   13   13 o   11.070   2.4330 -1.665000 4.867000 
1 1 1   77   13   14 o   8.4220   2.3400 1.573000 4.679000 
1 1 1   77   13   15 o   11.060   2.3710 2.357000 4.742000 
1 1 1   77   13   16 o   10.690   2.2060 -5.622000 4.412000 
1 1 1   77   14    0 o   10.930   3.5770 -0.000000 0.000000 
1 1 1   77   14    1 o   6.3530   2.0720 -1.061000 4.144000 
1 1 1   77   14    2 o   11.970   2.4880 0.9197000 4.977000 
1 1 1   77   14    3 o   8.0600   2.3430 -3.143000 4.686000 
1 1 1   77   14    4 o   14.700   2.2350 -6.333000 4.470000 
1 1 1   77   14    5 o   9.2410   2.3380 -5.358000 4.676000 
1 1 1   77   14    6 o   15.200   2.1510 0.6809000 4.303000 
1 1 1   77   14    7 o   14.510   2.2240 3.805000 4.448000 
1 1 1   77   14    8 o   7.7800   2.2800 3.145000 4.560000 
1 1 1   77   14    9 o   12.040   2.5030 0.3900000 5.006000 
1 1 1   77   14   10 o   19.660   1.7030 6.297000 3.405000 
1 1 1   77   14   11 o   12.010   2.4220 -2.556000 4.843000 
1 1 1   77   14   12 o   10.580   2.4270 0.4862000 4.854000 
1 1 1   77   14   13 o   9.3000   2.4310 1.891000 4.862000 
1 1 1   77   14   14 o   9.3310   2.4230 -1.131000 4.847000 
1 1 1   77   15    0 o   8.2720   3.3870 -0.000000 0.000000 
1 1 1   77   15    1 o   8.8620   2.2040 7.159000 4.409000 
1 1 1   77   15    2 o   9.8420   2.4720 -3.520000 4.945000 
1 1 1   77   15    3 o   7.7820   2.2940 -2.669000 4.588000 
1 1 1   77   15    4 o   12.170   2.3290 -6.117000 4.658000 
1 1 1   77   15    5 o   17.230   1.9220 2.935000 3.844000 
1 1 1   77   15    6 o   12.650   2.3320 -2.433000 4.663000 
1 1 1   77   15    7 o   13.840   2.2230 -2.658000 4.446000 
1 1 1   77   15    8 o   10.150   2.3930 4.019000 4.786000 
1 1 1   77   15    9 o   10.200   2.4490 2.206000 4.897000 
1 1 1   77   15   10 o   6.0910   2.0080 -0.2586000 4.015000 
1 1 1   77   15   11 o   14.250   2.1330 9.027000 4.267000 
1 1 1   77   15   12 o   6.8930   2.1710 -0.2058000 4.341000 
1 1 1   77   16    0 o   14.030   3.1780 -0.000000 0.000000 
1 1 1   77   16    1 o   6.7530   2.1470 2.009000 4.295000 
1 1 1   77   16    2 o   8.6870   2.4110 2.088000 4.822000 
1 1 1   77   16    3 o   7.8020   2.3170 0.2267000 4.634000 
1 1 1   77   16    4 o   7.4000   2.2510 -0.7984000 4.502000 
1 1 1   77   16    5 o   9.6910   2.2970 5.257000 4.593000 
1 1 1   77   16    6 o   6.9270   2.1650 -0.4444000 4.330000 
1 1 1   77   16    7 f   8.4210   2.3440 1.114000 4.688000 
1 1 1   77   16    8 o   10.270   2.3330 -3.568000 4.666000 
1 1 1   77   16    9 o   8.4540   2.3110 -2.484000 4.622000 
1 1 1   77   17    0 o   9.9950   3.5280 -0.000000 0.000000 
1 1 1   77   17    1 o   8.6300   2.3830 2.045000 4.766000 
1 1 1   77   17    2 o   6.6920   2.1400 0.8937000 4.279000 
1 1 1   77   17    3 o   8.9160   2.3890 1.794000 4.778000 
1 1 1   77   17    4 o   11.830   2.4340 1.827000 4.869000 
1 1 1   78    0    0 o   35.230   1.7000 -0.000000 0.000000 
1 1 1   78    0    1 o   13.710   2.7820 -0.000000 0.000000 
1 1 1   78    0    2 o   20.320   1.8670 -0.000000 0.000000 
1 1 1   78    0    3 f   5.9680   2.7300 -0.000000 0.000000 
1 1 1   78    0    4 o   38.240   1.1950 -0.000000 0.000000 
1 1 1   78    0    5 o   43.840   1.1220 -0.000000 0.000000 
1 1 1   78    0    6 o   12.010   3.0650 -0.000000 0.000000 
1 1 1   78    0    7 o   14.020   2.8150 -0.000000 0.000000 
1 1 1   78    0    8 o   14.580   2.7880 -0.000000 0.000000 
1 1 1   78    0    9 o   36.580   1.2390 -0.000000 0.000000 
1 1 1   78    0   10 o   31.490   1.4180 -0.000000 0.000000 
1 1 1   78    0   11 o   12.630   3.2940 -0.000000 0.000000 
1 1 1   78    0   12 o   39.730   1.2570 -0.000000 0.000000 
1 1 1   78    0   13 o   9.5860   3.4150 -0.000000 0.000000 
1 1 1   78    0   14 o   8.1800   3.3040 -0.000000 0.000000 
1 1 1   78    0   15 o   14.000   3.2260 -0.000000 0.000000 
1 1 1   78    0   16 o   8.2890   3.3640 -0.000000 0.000000 
1 1 1   78    0   17 o   24.200   1.8810 -0.000000 0.000000 
1 1 1   78    0   18 o   17.410   2.4920 -0.000000 0.000000 
1 1 1   78    0   19 o   39.140   1.2540 -0.000000 0.000000 
1 1 1   78    0   20 o   17.800   2.2810 -0.000000 0.000000 
1 1 1   78    0   21 o   9.4450   3.2630 -0.000000 0.000000 
1 1 1   78    0   22 o   8.4810   3.0870 -0.000000 0.000000 
1 1 1   78    0   23 o   7.0730   2.9310 -0.000000 0.000000 
1 1 1   78    0   24 o   8.3170   3.0860 -0.000000 0.000000 
1 1 1   78    1    0 o   39.670   1.1740 -0.000000 0.000000 
1 1 1   78    1    1 o   32.450   0.9349 2.312000 1.870000 
1 1 1   78    1    2 o   53.430   0.7685 2.845000 1.537000 
1 1 1   78    1    3 o   42.210   0.8102 2.583000 1.620000 
1 1 1   78    1    4 o   7.5670   2.2160 0.6119000 4.432000 
1 1 1   78    1    5 o   31.270   0.9543 -0.4841000 1.909000 
1 1 1   78    1    6 o   29.450   0.9770 0.6237000 1.954000 
1 1 1   78    1    7 o   17.440   1.6250 1.811000 3.251000 
1 1 1   78    1    8 o   24.460   1.1780 1.186000 2.356000 
1 1 1   78    1    9 o   17.040   1.7650 -6.485000 3.529000 
1 1 1   78    1   10 o   16.180   1.8250 1.536000 3.650000 
1 1 1   78    1   11 o   24.780   1.2330 0.1982000E-01 2.465000 
1 1 1   78    1   12 o   12.160   2.3020 -2.550000 4.605000 
1 1 1   78    1   13 o   12.400   2.2660 -4.416000 4.532000 
1 1 1   78    1   14 o   21.760   1.4060 2.163000 2.813000 
1 1 1   78    1   15 o   20.800   1.5110 -5.029000 3.021000 
1 1 1   78    1   16 o   16.830   1.9210 -3.037000 3.843000 
1 1 1   78    1   17 o   14.200   2.2020 1.708000 4.404000 
1 1 1   78    1   18 o   18.170   1.7420 -2.228000 3.485000 
1 1 1   78    1   19 o   13.630   2.1600 3.044000 4.320000 
1 1 1   78    1   20 o   6.4150   2.0190 -1.534000 4.039000 
1 1 1   78    1   21 o   10.680   2.1190 -5.433000 4.238000 
1 1 1   78    1   22 o   5.7520   1.8550 -2.236000 3.710000 
1 1 1   78    1   23 o   11.030   2.0490 -5.539000 4.098000 
1 1 1   78    1   24 f   20.060   1.2490 -0.5186000 2.498000 
1 1 1   78    2    0 o   14.720   2.0340 -0.000000 0.000000 
1 1 1   78    2    1 o   26.610   0.8023 1.032000 1.605000 
1 1 1   78    2    2 o   32.520   0.6950 0.5470000 1.390000 
1 1 1   78    2    3 f   39.950   0.6339 2.589000 1.268000 
1 1 1   78    2    4 o   61.990   0.6504 -0.3818000 1.301000 
1 1 1   78    2    5 o   59.330   0.6367 1.501000 1.273000 
1 1 1   78    2    6 o   14.530   1.3820 -1.373000 2.764000 
1 1 1   78    2    7 o   38.170   0.6534 2.886000 1.307000 
1 1 1   78    2    8 f   9.6120   1.9520 -3.471000 3.904000 
1 1 1   78    2    9 o   15.390   1.3800 -2.516000 2.761000 
1 1 1   78    2   10 o   38.280   0.6689 -0.7756000 1.338000 
1 1 1   78    2   11 o   7.8440   1.8370 5.101000 3.673000 
1 1 1   78    2   12 o   39.830   0.6637 3.313000 1.327000 
1 1 1   78    2   13 o   16.450   1.7020 3.452000 3.404000 
1 1 1   78    2   14 o   24.860   1.0880 2.325000 2.176000 
1 1 1   78    2   15 o   36.760   0.8147 -0.3533000 1.629000 
1 1 1   78    2   16 o   14.900   1.8750 1.725000 3.749000 
1 1 1   78    2   17 o   6.2730   1.9920 -0.9822000 3.984000 
1 1 1   78    2   18 o   8.5620   2.1160 3.311000 4.232000 
1 1 1   78    2   19 o   13.810   1.8840 3.052000 3.768000 
1 1 1   78    2   20 o   10.060   2.1910 5.791000 4.381000 
1 1 1   78    2   21 o   16.510   1.6860 2.577000 3.372000 
1 1 1   78    2   22 o   8.0930   2.0540 -5.120000 4.107000 
1 1 1   78    2   23 o   6.1870   1.9520 0.5515000 3.904000 
1 1 1   78    2   24 o   10.610   2.1810 1.680000 4.363000 
1 1 1   78    3    0 o   19.240   1.4940 -0.000000 0.000000 
1 1 1   78    3    1 o   24.690   0.8526 -0.8230000 1.705000 
1 1 1   78    3    2 o   38.300   0.6445 -3.257000 1.289000 
1 1 1   78    3    3 o   20.780   0.9795 -0.8432000 1.959000 
1 1 1   78    3    4 o   54.180   0.6872 1.293000 1.374000 
1 1 1   78    3    5 o   41.410   0.6274 -0.3889000 1.255000 
1 1 1   78    3    6 o   8.2520   1.6630 6.794000 3.327000 
1 1 1   78    3    7 o   33.000   0.7094 -0.5174000 1.419000 
1 1 1   78    3    8 o   29.550   0.7686 0.9266000 1.537000 
1 1 1   78    3    9 f   23.770   0.9089 1.253000 1.818000 
1 1 1   78    3   10 o   15.200   1.4780 -3.266000 2.957000 
1 1 1   78    3   11 o   30.090   0.7764 -1.156000 1.553000 
1 1 1   78    3   12 o   12.180   1.8440 0.5274000 3.687000 
1 1 1   78    3   13 o   16.350   1.4010 -0.3217000 2.803000 
1 1 1   78    3   14 o   17.520   1.4100 3.953000 2.821000 
1 1 1   78    3   15 o   28.730   0.8731 0.3433000 1.746000 
1 1 1   78    3   16 o   18.470   1.3210 0.1066000 2.643000 
1 1 1   78    3   17 o   9.5080   2.1090 2.671000 4.217000 
1 1 1   78    3   18 o   20.450   1.1910 -2.645000 2.382000 
1 1 1   78    3   19 o   8.0320   2.0340 2.876000 4.068000 
1 1 1   78    3   20 o   12.440   1.7480 -2.025000 3.497000 
1 1 1   78    3   21 o   13.140   1.8130 -6.106000 3.626000 
1 1 1   78    3   22 o   5.7670   1.8270 -1.697000 3.655000 
1 1 1   78    3   23 o   10.630   1.9600 -3.429000 3.920000 
1 1 1   78    3   24 o   10.780   2.0200 1.395000 4.040000 
1 1 1   78    4    0 o   14.340   2.4410 -0.000000 0.000000 
1 1 1   78    4    1 o   8.5720   2.1740 1.272000 4.347000 
1 1 1   78    4    2 o   22.680   1.0880 -3.382000 2.176000 
1 1 1   78    4    3 o   47.350   0.7383 0.1086000 1.477000 
1 1 1   78    4    4 o   15.080   1.6910 4.587000 3.381000 
1 1 1   78    4    5 o   17.000   2.1380      ?      ? 
1 1 1   78    4    6 o   10.290   2.0440 -4.064000 4.089000 
1 1 1   78    4    7 o   9.3240   3.1260      ?      ? 
1 1 1   78    4    8 o   27.900   0.9612 0.6756000 1.922000 
1 1 1   78    4    9 f   14.120   1.8300 -3.207000 3.660000 
1 1 1   78    4   10 f   13.900   1.9290 -0.9897000 3.858000 
1 1 1   78    4   11 o   12.620   2.0750 -0.7982000E-03 4.150000 
1 1 1   78    4   12 o   16.970   1.5690 -1.236000 3.138000 
1 1 1   78    4   13 o   14.090   1.8910 3.324000 3.782000 
1 1 1   78    4   14 o   12.690   2.0120 -6.402000 4.024000 
1 1 1   78    4   15 o   10.420   2.2220 -0.9432000 4.444000 
1 1 1   78    4   16 o   33.260   0.8539 -2.166000 1.708000 
1 1 1   78    4   17 o   20.380   1.3220 -4.365000 2.645000 
1 1 1   78    4   18 o   11.660   2.1310 -2.054000 4.262000 
1 1 1   78    4   19 o   14.570   1.8010 2.613000 3.603000 
1 1 1   78    4   20 o   5.5870   1.7810 -0.9414000 3.562000 
1 1 1   78    4   21 o   8.9580   1.9740 -2.648000 3.949000 
1 1 1   78    4   22 o   10.110   1.8220 4.918000 3.644000 
1 1 1   78    4   23 o   12.460   1.6810 3.128000 3.363000 
1 1 1   78    5    0 o   55.290   1.1050 -0.000000 0.000000 
1 1 1   78    5    1 o   24.030   1.0860 1.364000 2.171000 
1 1 1   78    5    2 o   24.260   1.0640 -1.254000 2.127000 
1 1 1   78    5    3 o   20.890   1.2280 -3.189000 2.455000 
1 1 1   78    5    4 o   12.520   1.8190 -9.843000 3.638000 
1 1 1   78    5    5 o   33.630   0.8558 2.546000 1.712000 
1 1 1   78    5    6 o   25.300   1.0230 0.4445000 2.045000 
1 1 1   78    5    7 o   27.030   0.9935 -1.573000 1.987000 
1 1 1   78    5    8 o   53.670   0.7677 1.032000 1.535000 
1 1 1   78    5    9 o   24.590   1.1120 1.173000 2.223000 
1 1 1   78    5   10 o   15.510   1.7420 1.573000 3.483000 
1 1 1   78    5   11 o   13.480   2.0160 3.468000 4.032000 
1 1 1   78    5   12 o   8.2830   2.2150 -3.041000 4.429000 
1 1 1   78    5   13 f   7.9360   2.2170 2.205000 4.434000 
1 1 1   78    5   14 o   14.240   2.0110 5.897000 4.022000 
1 1 1   78    5   15 f   10.240   2.2890 1.970000 4.577000 
1 1 1   78    5   16 o   6.3950   2.0070 1.318000 4.014000 
1 1 1   78    5   17 o   9.2360   2.1720 -4.910000 4.344000 
1 1 1   78    5   18 o   29.530   0.9778 -3.060000 1.956000 
1 1 1   78    5   19 o   7.9630   2.2090 -1.965000 4.418000 
1 1 1   78    5   20 o   10.110   2.2510 0.7201000 4.502000 
1 1 1   78    5   21 o   10.080   2.0740 0.3998000 4.149000 
1 1 1   78    5   22 o   7.8780   1.9570 3.661000 3.915000 
1 1 1   78    5   23 o   14.390   1.6200 -2.278000 3.240000 
1 1 1   78    6    1 o   14.800   1.8080 2.369000 3.615000 
1 1 1   78    6    2 o   24.410   1.1190 -1.180000 2.237000 
1 1 1   78    6    3 o   13.000   1.9890 1.337000 3.979000 
1 1 1   78    6    4 o   8.6540   2.1910 2.313000 4.383000 
1 1 1   78    6    5 o   33.150   0.8741 2.079000 1.748000 
1 1 1   78    6    6 o   8.3180   2.1890 2.171000 4.379000 
1 1 1   78    6    7 o   31.440   0.8917 -0.1692000 1.783000 
1 1 1   78    6    8 o   20.660   1.3090 1.321000 2.618000 
1 1 1   78    6    9 o   22.080   1.2230 0.8086000 2.446000 
1 1 1   78    6   10 o   27.170   1.0460 1.890000 2.091000 
1 1 1   78    6   11 o   7.3800   2.1530 1.901000 4.306000 
1 1 1   78    6   12 o   22.260   1.3310 6.041000 2.661000 
1 1 1   78    6   13 o   16.360   1.7920 -1.285000 3.584000 
1 1 1   78    6   14 o   23.930   1.2390 1.276000 2.477000 
1 1 1   78    6   15 o   16.710   2.6050      ?      ? 
1 1 1   78    6   16 o   12.090   2.2460 -2.589000 4.491000 
1 1 1   78    6   17 o   14.220   2.0330 0.4514000E-01 4.066000 
1 1 1   78    6   18 o   10.320   2.2480 -4.623000 4.495000 
1 1 1   78    6   19 o   13.800   1.9810 5.066000 3.961000 
1 1 1   78    6   20 o   7.5200   2.1580 1.074000 4.316000 
1 1 1   78    6   21 o   8.9680   2.2300 0.1713000 4.461000 
1 1 1   78    6   22 o   12.270   2.0930 -0.8429000E-01 4.185000 
1 1 1   78    6   23 o   9.0400   2.2760 3.093000 4.551000 
1 1 1   78    7    0 o   6.6760   2.9270 -0.000000 0.000000 
1 1 1   78    7    1 o   8.4090   2.2330 0.4672000E-01 4.467000 
1 1 1   78    7    2 o   10.650   2.1880 3.696000 4.376000 
1 1 1   78    7    3 o   11.650   2.1760 -2.609000 4.352000 
1 1 1   78    7    4 o   26.950   1.0280 1.571000 2.057000 
1 1 1   78    7    5 o   19.640   1.3660 1.042000 2.732000 
1 1 1   78    7    6 o   7.9920   2.2370 -0.2326000 4.473000 
1 1 1   78    7    7 o   8.5900   2.2730 1.623000 4.547000 
1 1 1   78    7    8 o   12.940   2.0870 -4.811000 4.173000 
1 1 1   78    7    9 o   13.050   2.1520 -1.157000 4.305000 
1 1 1   78    7   10 f   22.770   1.2470 3.928000 2.494000 
1 1 1   78    7   11 o   17.240   1.6960 4.104000 3.392000 
1 1 1   78    7   12 o   32.700   0.9494 1.875000 1.899000 
1 1 1   78    7   13 o   15.620   1.9420 4.876000 3.884000 
1 1 1   78    7   14 o   11.590   2.3510 -1.796000 4.702000 
1 1 1   78    7   15 o   9.3140   2.3450 2.160000 4.690000 
1 1 1   78    7   16 f   17.250   1.7650 5.915000 3.531000 
1 1 1   78    7   17 o   10.330   2.1530 6.256000 4.306000 
1 1 1   78    7   18 o   13.110   2.1500 0.2924000 4.299000 
1 1 1   78    7   19 o   11.690   2.1910 3.394000 4.381000 
1 1 1   78    7   20 o   12.470   2.1160 -3.380000 4.232000 
1 1 1   78    7   21 o   6.0190   1.9160 1.120000 3.833000 
1 1 1   78    7   22 o   7.6260   2.1600 1.026000 4.320000 
1 1 1   78    8    0 o   6.2040   2.8190 -0.000000 0.000000 
1 1 1   78    8    1 o   21.180   1.2930 0.1204000E-01 2.585000 
1 1 1   78    8    2 o   23.140   1.2010 2.575000 2.403000 
1 1 1   78    8    3 o   11.550   2.1720 3.063000 4.344000 
1 1 1   78    8    4 o   26.540   1.0900 0.4752000 2.180000 
1 1 1   78    8    5 o   8.7400   2.2790 0.1333000 4.559000 
1 1 1   78    8    6 o   11.400   2.2290 4.740000 4.457000 
1 1 1   78    8    7 o   23.000   1.2420 -1.654000 2.484000 
1 1 1   78    8    8 o   13.320   2.0630 -1.604000 4.125000 
1 1 1   78    8    9 f   17.350   1.6910 4.111000 3.383000 
1 1 1   78    8   10 o   8.6940   3.2870      ?      ? 
1 1 1   78    8   11 o   15.290   1.9200 0.9257000 3.840000 
1 1 1   78    8   12 o   17.080   1.6960 2.191000 3.392000 
1 1 1   78    8   13 o   21.670   1.4410 6.828000 2.882000 
1 1 1   78    8   14 o   11.780   2.2310 6.059000 4.463000 
1 1 1   78    8   15 o   13.900   2.1220 5.880000 4.244000 
1 1 1   78    8   16 o   7.1680   2.1820 -0.4139000 4.365000 
1 1 1   78    8   17 o   8.4540   2.2920 -2.744000 4.583000 
1 1 1   78    8   18 o   10.030   2.3100 1.684000 4.619000 
1 1 1   78    8   19 o   12.750   2.0240 5.190000 4.048000 
1 1 1   78    8   20 o   7.0500   2.0460 2.667000 4.091000 
1 1 1   78    8   21 o   8.2530   2.2120 0.8875000 4.423000 
1 1 1   78    9    0 o   27.010   1.5410 -0.000000 0.000000 
1 1 1   78    9    1 o   28.740   1.0230 -0.1080000 2.046000 
1 1 1   78    9    2 o   21.790   1.3260 -4.865000 2.652000 
1 1 1   78    9    3 o   6.8090   2.1100 -0.4798000 4.220000 
1 1 1   78    9    4 o   21.850   1.3330 2.339000 2.667000 
1 1 1   78    9    5 o   20.570   1.3700 -0.3198000 2.740000 
1 1 1   78    9    6 o   25.620   1.1660 0.5420000E-01 2.333000 
1 1 1   78    9    7 o   6.9250   2.1430 -1.019000 4.287000 
1 1 1   78    9    8 o   6.6570   2.0940 -0.4759000 4.188000 
1 1 1   78    9    9 o   11.200   2.3630 0.1834000 4.725000 
1 1 1   78    9   10 o   16.920   1.7840 1.311000 3.567000 
1 1 1   78    9   11 o   18.420   1.6900 5.108000 3.380000 
1 1 1   78    9   12 o   17.320   1.7820 -1.768000 3.564000 
1 1 1   78    9   13 o   19.420   1.5690 1.636000 3.138000 
1 1 1   78    9   14 f   10.890   2.3320 4.350000 4.663000 
1 1 1   78    9   15 o   9.0240   2.2990 3.759000 4.598000 
1 1 1   78    9   16 o   8.0160   2.2960 0.1090000 4.593000 
1 1 1   78    9   17 o   8.7850   2.2800 -3.161000 4.560000 
1 1 1   78    9   18 o   11.150   2.2560 -2.121000 4.511000 
1 1 1   78    9   19 o   7.9230   2.1740 2.282000 4.349000 
1 1 1   78    9   20 o   8.2820   2.0670 5.385000 4.133000 
1 1 1   78   10    0 o   5.9310   2.7760 -0.000000 0.000000 
1 1 1   78   10    1 o   25.650   1.1740 -0.8721000 2.347000 
1 1 1   78   10    2 o   10.540   2.4320 0.5091000 4.864000 
1 1 1   78   10    3 f   14.000   2.1540 2.277000 4.308000 
1 1 1   78   10    4 o   15.570   1.9740 8.352000 3.949000 
1 1 1   78   10    5 o   17.210   1.8040 -0.8654000 3.608000 
1 1 1   78   10    6 o   17.280   1.7630 4.554000 3.526000 
1 1 1   78   10    7 o   12.410   2.1370 6.585000 4.273000 
1 1 1   78   10    8 o   19.630   1.5200 -0.3393000 3.040000 
1 1 1   78   10    9 o   9.5830   2.3910 -1.597000 4.783000 
1 1 1   78   10   11 o   7.2830   2.2040 -1.051000 4.409000 
1 1 1   78   10   12 o   16.030   1.9380 -2.582000 3.877000 
1 1 1   78   10   13 o   26.020   1.2150 0.6001000E-01 2.431000 
1 1 1   78   10   14 o   13.430   2.1850 -1.328000 4.370000 
1 1 1   78   10   15 o   6.6660   2.1150 1.483000 4.230000 
1 1 1   78   10   16 o   9.9770   2.3850 -2.880000 4.771000 
1 1 1   78   10   17 o   9.3230   2.3590 1.433000 4.718000 
1 1 1   78   10   18 o   9.3700   2.2230 -4.443000 4.446000 
1 1 1   78   10   19 o   10.780   2.2700 1.045000 4.540000 
1 1 1   78   10   20 o   8.3110   3.6760      ?      ? 
1 1 1   78   11    0 o   22.590   1.9700 -0.000000 0.000000 
1 1 1   78   11    1 o   9.1340   2.3890 -0.7867000 4.779000 
1 1 1   78   11    2 o   12.080   2.3620 -2.527000 4.723000 
1 1 1   78   11    3 o   28.330   1.1420 0.2902000 2.283000 
1 1 1   78   11    4 o   24.540   1.2590 1.862000 2.518000 
1 1 1   78   11    5 o   24.460   1.2800 -0.6254000E-01 2.560000 
1 1 1   78   11    6 o   10.810   2.4040 -3.044000 4.809000 
1 1 1   78   11    7 o   10.380   2.3060 -4.598000 4.613000 
1 1 1   78   11    8 o   20.550   1.5150 2.716000 3.029000 
1 1 1   78   11    9 o   6.0590   2.0070 0.8151000 4.014000 
1 1 1   78   11   10 o   14.900   2.1070 -4.211000 4.215000 
1 1 1   78   11   11 o   12.630   2.2910 -1.438000 4.582000 
1 1 1   78   11   12 o   9.6480   2.4010 2.454000 4.802000 
1 1 1   78   11   13 o   15.710   1.9530 2.796000 3.905000 
1 1 1   78   11   14 o   11.030   2.3620 -3.233000 4.724000 
1 1 1   78   11   15 o   7.6620   2.2640 2.086000 4.527000 
1 1 1   78   11   16 o   6.8610   2.1090 1.582000 4.218000 
1 1 1   78   11   17 o   8.6420   2.2420 3.405000 4.483000 
1 1 1   78   11   18 f   6.4820   2.8970      ?      ? 
1 1 1   78   12    1 o   6.2190   2.9160      ?      ? 
1 1 1   78   12    2 o   17.250   1.9210 2.691000 3.843000 
1 1 1   78   12    3 o   8.6310   2.4220 1.009000 4.843000 
1 1 1   78   12    4 o   17.920   1.8310 -3.102000 3.662000 
1 1 1   78   12    5 o   9.9660   2.4060 -4.178000 4.813000 
1 1 1   78   12    6 o   11.880   2.3830 -2.907000 4.766000 
1 1 1   78   12    7 o   11.180   2.3310 4.846000 4.662000 
1 1 1   78   12    8 f   9.4270   2.4420 -0.5059000 4.884000 
1 1 1   78   12    9 o   6.8780   2.1660 -1.187000 4.333000 
1 1 1   78   12   10 o   7.9600   2.3160 -1.657000 4.632000 
1 1 1   78   12   11 o   11.310   2.4010 3.166000 4.802000 
1 1 1   78   12   12 o   11.700   2.4050 -2.552000 4.810000 
1 1 1   78   12   13 o   9.4430   2.4360 0.2154000 4.871000 
1 1 1   78   12   14 o   10.610   2.0760 8.079000 4.153000 
1 1 1   78   12   15 o   9.0380   2.2930 2.733000 4.587000 
1 1 1   78   12   16 o   7.4430   2.2230 -0.2798000E-01 4.446000 
1 1 1   78   12   17 o   7.2180   2.1610 0.9942000 4.321000 
1 1 1   78   13    0 o   12.690   3.4510 -0.000000 0.000000 
1 1 1   78   13    1 o   12.560   2.3450 3.509000 4.691000 
1 1 1   78   13    2 o   12.910   2.3550 -1.795000 4.710000 
1 1 1   78   13    3 o   13.590   2.2560 5.360000 4.513000 
1 1 1   78   13    4 f   7.9680   2.3550 0.4022000 4.710000 
1 1 1   78   13    5 o   14.370   2.2150 -3.649000 4.430000 
1 1 1   78   13    6 o   8.4760   2.3800 -0.7841000 4.760000 
1 1 1   78   13    7 o   9.7680   2.4320 0.7310000 4.865000 
1 1 1   78   13    8 o   9.9230   2.4170 3.715000 4.834000 
1 1 1   78   13    9 o   20.000   1.5900 0.7587000E-01 3.181000 
1 1 1   78   13   10 o   20.240   1.6010 -0.2346000 3.203000 
1 1 1   78   13   11 o   10.260   2.4910 -0.9474000 4.983000 
1 1 1   78   13   12 o   10.890   2.2900 -5.235000 4.579000 
1 1 1   78   13   13 o   11.160   2.2950 4.240000 4.590000 
1 1 1   78   13   14 o   10.560   2.2190 6.167000 4.439000 
1 1 1   78   13   15 o   7.8370   2.2010 -3.477000 4.402000 
1 1 1   78   13   16 o   14.850   4.1920      ?      ? 
1 1 1   78   14    0 o   11.910   3.5950 -0.000000 0.000000 
1 1 1   78   14    1 o   12.400   2.4120 -0.3012000 4.824000 
1 1 1   78   14    2 o   13.300   2.1330 -9.488000 4.265000 
1 1 1   78   14    3 o   10.350   2.5000 -2.889000 5.000000 
1 1 1   78   14    4 o   8.6490   2.3770 -3.568000 4.753000 
1 1 1   78   14    5 o   6.7320   2.1480 -2.202000 4.296000 
1 1 1   78   14    6 o   13.250   2.3580 2.796000 4.716000 
1 1 1   78   14    7 o   8.1160   2.2680 4.213000 4.535000 
1 1 1   78   14    8 o   13.870   2.2640 -2.115000 4.528000 
1 1 1   78   14    9 o   12.120   2.3860 -2.692000 4.771000 
1 1 1   78   14   10 o   10.150   2.3640 4.629000 4.728000 
1 1 1   78   14   11 o   14.190   2.2320 0.3755000 4.465000 
1 1 1   78   14   12 o   9.0000   2.4010 0.4205000 4.803000 
1 1 1   78   14   13 o   8.3240   2.3550 1.775000 4.709000 
1 1 1   78   14   14 o   10.520   2.3670 -4.732000 4.734000 
1 1 1   78   15    0 o   14.790   3.1550 -0.000000 0.000000 
1 1 1   78   15    1 f   9.5200   2.5160 -0.1866000 5.031000 
1 1 1   78   15    2 o   7.6920   2.3200 0.5897000 4.639000 
1 1 1   78   15    3 o   15.090   2.1710 -7.698000 4.342000 
1 1 1   78   15    4 o   11.190   2.4200 -2.230000 4.841000 
1 1 1   78   15    5 o   9.8960   2.4620 0.4898000 4.924000 
1 1 1   78   15    6 o   8.9630   2.2990 -4.043000 4.599000 
1 1 1   78   15    7 o   12.450   2.3520 2.429000 4.703000 
1 1 1   78   15    8 f   8.3580   2.3090 3.152000 4.617000 
1 1 1   78   15    9 o   9.3450   2.4250 1.851000 4.850000 
1 1 1   78   15   10 o   7.2620   2.2050 3.119000 4.410000 
1 1 1   78   15   11 o   9.3340   3.4370      ?      ? 
1 1 1   78   16    0 o   7.8540   3.2960 -0.000000 0.000000 
1 1 1   78   16    1 o   8.7690   2.3820 2.911000 4.765000 
1 1 1   78   16    2 o   7.6490   2.2040 4.324000 4.407000 
1 1 1   78   16    3 o   9.7160   2.3440 -4.871000 4.688000 
1 1 1   78   16    4 o   9.9860   2.3190 4.414000 4.639000 
1 1 1   78   16    5 o   8.1880   2.3100 -2.038000 4.620000 
1 1 1   78   16    6 o   5.9340   1.9490 -1.781000 3.898000 
1 1 1   78   16    7 o   8.4730   2.3310 -0.9192000 4.661000 
1 1 1   78   16    8 o   9.0090   2.3790 -0.2336000E-01 4.758000 
1 1 1   78   17    0 o   5.0420   2.4800 -0.000000 0.000000 
1 1 1   78   17    1 o   9.7510   2.5340 -0.2653000 5.068000 
1 1 1   78   17    2 o   7.9470   2.3910 1.443000 4.781000 
1 1 1   79    0    1 o   27.380   1.5990 -0.000000 0.000000 
1 1 1   79    0    2 o   25.580   1.6040 -0.000000 0.000000 
1 1 1   79    0    3 o   15.960   2.5130 -0.000000 0.000000 
1 1 1   79    0    4 o   12.610   3.0790 -0.000000 0.000000 
1 1 1   79    0    5 o   66.660   1.2010 -0.000000 0.000000 
1 1 1   79    0    6 f   28.240   1.4600 -0.000000 0.000000 
1 1 1   79    0    7 o   8.1050   3.2170 -0.000000 0.000000 
1 1 1   79    0    8 o   18.650   2.1990 -0.000000 0.000000 
1 1 1   79    0    9 o   7.0080   3.0690 -0.000000 0.000000 
1 1 1   79    0   10 o   30.130   1.4790 -0.000000 0.000000 
1 1 1   79    0   11 o   24.300   1.8420 -0.000000 0.000000 
1 1 1   79    0   12 o   29.000   1.5670 -0.000000 0.000000 
1 1 1   79    0   13 o   11.410   3.4570 -0.000000 0.000000 
1 1 1   79    0   14 o   31.550   1.4730 -0.000000 0.000000 
1 1 1   79    0   15 o   20.970   2.1830 -0.000000 0.000000 
1 1 1   79    0   16 o   8.6910   3.3760 -0.000000 0.000000 
1 1 1   79    0   17 o   7.9270   3.3280 -0.000000 0.000000 
1 1 1   79    0   18 o   6.8070   3.0370 -0.000000 0.000000 
1 1 1   79    0   19 f   10.170   3.3850 -0.000000 0.000000 
1 1 1   79    0   20 o   17.940   2.1620 -0.000000 0.000000 
1 1 1   79    0   21 o   7.8910   3.1390 -0.000000 0.000000 
1 1 1   79    0   22 o   7.3760   2.9840 -0.000000 0.000000 
1 1 1   79    0   23 o   7.0850   2.9070 -0.000000 0.000000 
1 1 1   79    0   24 o   9.9470   3.1200 -0.000000 0.000000 
1 1 1   79    1    0 f   20.100   1.9340 -0.000000 0.000000 
1 1 1   79    1    1 o   10.210   2.1410 6.306000 4.282000 
1 1 1   79    1    2 o   11.340   2.2370 -0.3384000 4.475000 
1 1 1   79    1    3 o   23.710   1.2260 -0.5109000 2.452000 
1 1 1   79    1    4 o   6.7390   2.0850 0.6040000 4.171000 
1 1 1   79    1    5 f   9.2510   2.2930 -2.986000 4.585000 
1 1 1   79    1    6 o   28.610   1.0180 -0.1560000 2.037000 
1 1 1   79    1    7 o   9.6080   2.3700 1.804000 4.740000 
1 1 1   79    1    8 o   30.210   1.0590 3.806000 2.118000 
1 1 1   79    1    9 o   18.880   1.5790 1.859000 3.158000 
1 1 1   79    1   10 o   21.160   1.4130 3.720000 2.826000 
1 1 1   79    1   11 o   30.850   1.0390 1.675000 2.078000 
1 1 1   79    1   12 o   8.4730   2.3760 -0.3131000 4.752000 
1 1 1   79    1   13 o   31.040   1.0470 -0.2926000 2.094000 
1 1 1   79    1   14 o   23.120   1.3350 -1.055000 2.670000 
1 1 1   79    1   15 o   16.990   1.8990 -3.798000 3.797000 
1 1 1   79    1   16 f   25.380   1.2650 2.662000 2.529000 
1 1 1   79    1   17 o   9.7460   2.3050 5.080000 4.611000 
1 1 1   79    1   18 f   9.4390   2.3460 4.030000 4.692000 
1 1 1   79    1   19 o   16.430   1.8720 -1.831000 3.743000 
1 1 1   79    1   20 o   12.620   2.9770      ?      ? 
1 1 1   79    1   21 o   11.780   3.0530      ?      ? 
1 1 1   79    1   22 o   14.030   1.8780 1.261000 3.757000 
1 1 1   79    1   23 o   8.2860   2.1980 -0.4539000E-01 4.396000 
1 1 1   79    1   24 o   9.0580   2.1900 -2.165000 4.381000 
1 1 1   79    2    0 o   39.550   0.9011 -0.000000 0.000000 
1 1 1   79    2    1 o   14.790   1.4300 -2.302000 2.861000 
1 1 1   79    2    2 o   9.5930   1.7980 6.198000 3.596000 
1 1 1   79    2    3 o   10.970   1.8550 -2.834000 3.711000 
1 1 1   79    2    4 o   13.020   1.6240 0.6185000 3.248000 
1 1 1   79    2    5 o   26.030   0.8305 2.382000 1.661000 
1 1 1   79    2    6 o   32.950   0.6890 -2.971000 1.378000 
1 1 1   79    2    7 o   33.600   0.7006 -0.6725000 1.401000 
1 1 1   79    2    8 o   18.210   1.1840 -0.7193000 2.367000 
1 1 1   79    2    9 o   43.240   0.6415 1.099000 1.283000 
1 1 1   79    2   10 o   25.040   0.9116 1.609000 1.823000 
1 1 1   79    2   11 o   15.410   1.4390 1.781000 2.879000 
1 1 1   79    2   12 o   25.340   0.8925 2.086000 1.785000 
1 1 1   79    2   13 o   21.330   1.2750 0.7837000 2.550000 
1 1 1   79    2   14 o   26.460   1.0120 -5.477000 2.024000 
1 1 1   79    2   15 o   16.200   1.8010 4.273000 3.603000 
1 1 1   79    2   16 o   9.8800   2.1570 3.568000 4.314000 
1 1 1   79    2   17 o   11.790   2.2340 0.9786000 4.468000 
1 1 1   79    2   18 o   7.5860   2.1120 2.186000 4.224000 
1 1 1   79    2   19 o   6.8820   2.0680 0.3969000E-01 4.135000 
1 1 1   79    2   20 o   8.9960   2.3510 0.7884000 4.702000 
1 1 1   79    2   21 o   12.140   2.1100 4.357000 4.220000 
1 1 1   79    2   22 o   7.7140   2.1600 1.337000 4.319000 
1 1 1   79    2   23 o   12.360   2.0130 1.676000 4.027000 
1 1 1   79    2   24 o   15.360   1.8120 0.1615000 3.624000 
1 1 1   79    3    0 o   6.7820   2.7220 -0.000000 0.000000 
1 1 1   79    3    1 o   32.850   0.7117 0.6397000 1.423000 
1 1 1   79    3    2 o   25.160   0.8370 -0.9709000 1.674000 
1 1 1   79    3    3 o   20.480   1.0170 -2.854000 2.033000 
1 1 1   79    3    4 o   38.810   0.6534 0.2267000E-01 1.307000 
1 1 1   79    3    5 o   22.350   0.9649 1.171000 1.930000 
1 1 1   79    3    6 o   9.7170   1.9410 -3.023000 3.882000 
1 1 1   79    3    7 o   9.7650   1.9970 1.738000 3.994000 
1 1 1   79    3    8 o   26.440   0.8603 -1.303000 1.721000 
1 1 1   79    3    9 o   16.670   1.3180 1.222000 2.636000 
1 1 1   79    3   10 o   17.470   1.4270 7.857000 2.855000 
1 1 1   79    3   11 o   17.100   1.3120 0.1948000 2.625000 
1 1 1   79    3   12 o   12.410   1.8380 -0.1212000 3.676000 
1 1 1   79    3   13 o   13.670   1.7360 -1.160000 3.473000 
1 1 1   79    3   14 o   8.4440   2.0910 -3.582000 4.182000 
1 1 1   79    3   15 o   8.3830   2.0770 2.266000 4.153000 
1 1 1   79    3   16 o   11.090   2.0040 3.841000 4.009000 
1 1 1   79    3   17 o   10.850   2.0570 3.638000 4.113000 
1 1 1   79    3   18 o   8.2030   2.1290 -0.1049000 4.257000 
1 1 1   79    3   19 o   6.7800   1.9960 0.4291000 3.993000 
1 1 1   79    3   20 o   6.3090   1.8610 -2.470000 3.722000 
1 1 1   79    3   21 f   8.8750   1.9460 -6.321000 3.892000 
1 1 1   79    3   22 o   8.5360   2.0840 -1.747000 4.168000 
1 1 1   79    3   23 o   6.4730   1.8860 2.283000 3.773000 
1 1 1   79    4    0 o   9.2890   3.1560 -0.000000 0.000000 
1 1 1   79    4    1 o   23.590   1.0700 -2.065000 2.140000 
1 1 1   79    4    2 o   8.4270   2.1300 -2.834000 4.260000 
1 1 1   79    4    3 o   6.2120   1.9470 0.8023000 3.893000 
1 1 1   79    4    4 o   8.2130   2.1650 1.115000 4.330000 
1 1 1   79    4    5 o   39.800   0.7779 3.320000 1.556000 
1 1 1   79    4    6 o   6.2440   1.9530 0.9576000 3.905000 
1 1 1   79    4    7 o   16.570   1.5560 3.119000 3.112000 
1 1 1   79    4    8 o   12.240   2.0780 2.373000 4.155000 
1 1 1   79    4    9 o   6.4620   1.9780 2.241000 3.956000 
1 1 1   79    4   10 o   9.3800   2.2760 0.4371000E-01 4.552000 
1 1 1   79    4   11 o   9.3320   2.2720 -1.291000 4.543000 
1 1 1   79    4   12 o   7.1080   2.0740 0.6266000 4.148000 
1 1 1   79    4   13 f   14.100   1.8850 1.246000 3.769000 
1 1 1   79    4   14 f   14.630   1.8420 11.48000 3.683000 
1 1 1   79    4   15 o   8.5540   2.2140 0.5727000 4.429000 
1 1 1   79    4   16 o   8.5060   2.2390 -0.2999000E-01 4.478000 
1 1 1   79    4   17 o   7.6870   2.1410 -3.521000 4.281000 
1 1 1   79    4   18 o   19.800   1.3870 4.390000 2.774000 
1 1 1   79    4   19 o   12.130   1.8640 1.194000 3.727000 
1 1 1   79    4   20 o   7.2250   1.9330 2.498000 3.867000 
1 1 1   79    4   21 o   11.010   1.7950 -5.695000 3.591000 
1 1 1   79    4   22 o   6.7610   1.8750 -2.352000 3.749000 
1 1 1   79    4   23 o   9.8660   1.9170 1.335000 3.835000 
1 1 1   79    5    0 o   9.3610   3.1330 -0.000000 0.000000 
1 1 1   79    5    1 f   30.210   0.9175 -0.2941000 1.835000 
1 1 1   79    5    2 o   34.410   0.8448 0.9123000 1.690000 
1 1 1   79    5    3 o   14.650   1.8420 -5.284000 3.685000 
1 1 1   79    5    4 o   23.380   1.1230 -3.315000 2.247000 
1 1 1   79    5    5 o   25.950   1.0310 -0.3868000 2.063000 
1 1 1   79    5    6 o   8.6670   2.1580 -3.101000 4.315000 
1 1 1   79    5    7 o   17.730   1.4920 2.755000 2.984000 
1 1 1   79    5    8 o   11.460   1.9730 -7.596000 3.946000 
1 1 1   79    5    9 o   10.150   2.2530 -3.270000 4.505000 
1 1 1   79    5   10 o   23.070   1.2090 -0.1182000 2.417000 
1 1 1   79    5   11 o   34.680   1.2660      ?      ? 
1 1 1   79    5   12 o   23.620   1.2110 -1.743000 2.422000 
1 1 1   79    5   13 o   24.280   1.1920 -0.2646000 2.384000 
1 1 1   79    5   14 o   7.9180   2.2260 -2.401000 4.451000 
1 1 1   79    5   15 o   17.730   1.6460 4.107000 3.292000 
1 1 1   79    5   16 o   8.6650   2.2470 -2.853000 4.495000 
1 1 1   79    5   17 o   12.980   2.1270 2.416000 4.255000 
1 1 1   79    5   18 o   12.890   2.1240 1.391000 4.247000 
1 1 1   79    5   19 o   8.6020   2.2160 2.360000 4.432000 
1 1 1   79    5   20 o   4.0760   1.9950      ?      ? 
1 1 1   79    5   21 o   9.0840   2.1100 -0.2502000 4.221000 
1 1 1   79    5   22 o   5.7660   1.8270 -2.121000 3.655000 
1 1 1   79    5   23 o   9.9230   2.1020 -0.4056000 4.204000 
1 1 1   79    6    0 o   7.7980   3.0870 -0.000000 0.000000 
1 1 1   79    6    1 o   43.720   0.7793 0.9440000 1.559000 
1 1 1   79    6    2 o   22.300   1.1810 -1.464000 2.361000 
1 1 1   79    6    3 o   15.600   1.7250 0.8155000 3.451000 
1 1 1   79    6    4 o   32.230   0.9000 -2.695000 1.800000 
1 1 1   79    6    5 o   7.4680   2.0290 4.440000 4.058000 
1 1 1   79    6    6 o   23.590   1.1830 1.781000 2.365000 
1 1 1   79    6    7 o   31.080   0.9126 1.242000 1.825000 
1 1 1   79    6    8 o   7.8770   2.1190 4.243000 4.238000 
1 1 1   79    6    9 o   9.5170   3.2280      ?      ? 
1 1 1   79    6   10 o   7.8440   2.1840 -2.457000 4.369000 
1 1 1   79    6   11 o   19.740   1.4310 -0.1845000 2.862000 
1 1 1   79    6   12 o   10.420   2.3640 -0.4294000 4.728000 
1 1 1   79    6   13 o   16.090   1.8740 -0.9429000 3.749000 
1 1 1   79    6   14 f   8.1000   2.2980 -0.8068000 4.597000 
1 1 1   79    6   15 o   22.540   1.3020 0.5229000 2.603000 
1 1 1   79    6   16 o   6.9600   2.1440 -1.126000 4.288000 
1 1 1   79    6   17 o   9.7620   2.3380 -0.1579000 4.676000 
1 1 1   79    6   18 o   9.2700   2.3150 0.5783000 4.630000 
1 1 1   79    6   19 o   9.2070   2.1640 3.981000 4.327000 
1 1 1   79    6   20 f   9.9190   2.2420 1.915000 4.483000 
1 1 1   79    6   21 o   9.5310   2.1900 3.023000 4.380000 
1 1 1   79    6   22 o   11.320   1.8480 9.753000 3.695000 
1 1 1   79    7    0 o   10.450   3.2210 -0.000000 0.000000 
1 1 1   79    7    1 o   31.620   0.9303 1.189000 1.861000 
1 1 1   79    7    2 o   30.270   0.9370 -1.059000 1.874000 
1 1 1   79    7    3 o   28.130   1.0060 2.380000 2.013000 
1 1 1   79    7    4 o   7.4110   2.1860 -0.2351000 4.373000 
1 1 1   79    7    5 o   17.870   1.5240 4.113000 3.048000 
1 1 1   79    7    6 o   9.3800   2.2280 3.954000 4.455000 
1 1 1   79    7    7 o   19.450   1.4520 1.319000 2.903000 
1 1 1   79    7    8 o   17.410   1.6390 -4.395000 3.278000 
1 1 1   79    7    9 o   15.250   1.9260 3.481000 3.852000 
1 1 1   79    7   10 o   13.710   2.0850 -2.537000 4.170000 
1 1 1   79    7   11 o   7.9250   2.2000 3.780000 4.400000 
1 1 1   79    7   12 o   10.930   2.2870 -4.433000 4.575000 
1 1 1   79    7   13 o   11.220   2.4140 1.482000 4.828000 
1 1 1   79    7   14 o   33.370   0.9873 2.915000 1.975000 
1 1 1   79    7   15 o   26.010   1.1620 -1.952000 2.324000 
1 1 1   79    7   16 o   8.7030   2.1790 -5.135000 4.357000 
1 1 1   79    7   17 o   14.210   2.0360 4.318000 4.073000 
1 1 1   79    7   18 f   12.160   2.2120 1.534000 4.424000 
1 1 1   79    7   19 o   12.840   2.0850 -3.973000 4.170000 
1 1 1   79    7   20 o   8.4240   2.2350 -1.929000 4.470000 
1 1 1   79    7   21 o   5.4160   1.7980 1.356000 3.596000 
1 1 1   79    7   22 o   10.620   2.3290 1.974000 4.659000 
1 1 1   79    8    0 o   14.060   2.9340 -0.000000 0.000000 
1 1 1   79    8    1 o   8.8680   2.3040 0.6864000E-01 4.608000 
1 1 1   79    8    2 o   15.090   1.8880 -4.752000 3.775000 
1 1 1   79    8    3 o   17.950   1.6760 6.195000 3.352000 
1 1 1   79    8    4 o   15.550   1.8410 -3.032000 3.682000 
1 1 1   79    8    5 o   21.540   1.3360 1.633000 2.671000 
1 1 1   79    8    6 o   29.290   1.0120 0.1304000 2.025000 
1 1 1   79    8    7 o   13.160   2.0820 4.680000 4.163000 
1 1 1   79    8    8 o   14.450   1.9760 -3.618000 3.952000 
1 1 1   79    8    9 o   10.360   2.3050 3.682000 4.611000 
1 1 1   79    8   10 f   11.920   2.3230 -0.8310000 4.645000 
1 1 1   79    8   11 o   29.280   1.0640 -1.062000 2.129000 
1 1 1   79    8   12 o   12.840   2.2240 0.4371000 4.449000 
1 1 1   79    8   13 f   16.910   1.7960 0.8346000 3.591000 
1 1 1   79    8   14 o   20.180   1.5150 0.9277000 3.030000 
1 1 1   79    8   15 o   8.6810   2.2420 4.164000 4.484000 
1 1 1   79    8   16 o   10.030   2.2860 -4.485000 4.573000 
1 1 1   79    8   17 o   6.5260   2.0610 0.3225000E-01 4.121000 
1 1 1   79    8   18 o   9.7180   2.3520 -0.8988000 4.705000 
1 1 1   79    8   19 o   10.010   2.2060 3.625000 4.411000 
1 1 1   79    8   20 o   7.4090   2.1470 -1.738000 4.294000 
1 1 1   79    8   21 o   9.9530   2.1350 -5.021000 4.270000 
1 1 1   79    9    0 o   10.100   3.2860 -0.000000 0.000000 
1 1 1   79    9    1 o   10.770   2.3540 -0.3095000 4.708000 
1 1 1   79    9    2 o   10.160   2.3480 -0.7283000 4.696000 
1 1 1   79    9    3 o   11.270   2.2600 -4.904000 4.520000 
1 1 1   79    9    4 o   21.570   1.3420 0.2248000 2.684000 
1 1 1   79    9    5 o   8.5970   2.3400 -0.8075000 4.680000 
1 1 1   79    9    6 o   14.820   2.0500 4.161000 4.099000 
1 1 1   79    9    7 o   9.8540   2.3730 1.730000 4.747000 
1 1 1   79    9    8 o   13.250   2.1510 -3.474000 4.302000 
1 1 1   79    9    9 o   17.610   1.7210 -0.3176000 3.442000 
1 1 1   79    9   10 o   15.140   2.0200 1.024000 4.039000 
1 1 1   79    9   11 f   15.300   1.9680 3.866000 3.936000 
1 1 1   79    9   12 o   27.740   1.1190 0.9531000E-01 2.237000 
1 1 1   79    9   13 o   7.7820   2.2580 1.106000 4.517000 
1 1 1   79    9   14 o   10.950   2.3980 0.4249000 4.796000 
1 1 1   79    9   15 o   13.490   2.0240 -9.736000 4.047000 
1 1 1   79    9   16 o   14.440   2.0750 0.4535000 4.151000 
1 1 1   79    9   17 o   10.300   2.3120 1.784000 4.624000 
1 1 1   79    9   18 o   6.9030   2.1070 0.7995000 4.214000 
1 1 1   79    9   19 o   9.2620   2.1140 -5.723000 4.228000 
1 1 1   79    9   20 o   10.440   2.1260 4.258000 4.252000 
1 1 1   79   10    0 o   11.700   3.3810 -0.000000 0.000000 
1 1 1   79   10    1 o   10.630   2.3590 -1.654000 4.719000 
1 1 1   79   10    2 o   30.540   1.0570 -0.6212000 2.114000 
1 1 1   79   10    3 o   10.560   2.3260 4.719000 4.651000 
1 1 1   79   10    4 o   10.230   2.2180 -6.625000 4.436000 
1 1 1   79   10    5 o   10.320   2.3350 -4.629000 4.670000 
1 1 1   79   10    6 f   7.5950   2.2450 -1.175000 4.490000 
1 1 1   79   10    7 o   18.210   1.6510 -1.723000 3.302000 
1 1 1   79   10    8 o   7.4700   2.2290 0.9690000 4.459000 
1 1 1   79   10    9 o   8.7950   2.3600 1.863000 4.721000 
1 1 1   79   10   10 o   14.240   2.0430 9.416000 4.086000 
1 1 1   79   10   11 o   11.590   2.3890 -0.2541000 4.777000 
1 1 1   79   10   12 o   11.160   2.1690 6.837000 4.338000 
1 1 1   79   10   13 o   17.810   1.7230 -1.846000 3.447000 
1 1 1   79   10   14 o   10.260   2.3510 3.877000 4.703000 
1 1 1   79   10   15 o   11.650   2.3910 -1.398000 4.782000 
1 1 1   79   10   16 o   8.7310   2.3480 -0.4730000 4.696000 
1 1 1   79   10   17 o   7.4070   2.1870 -1.658000 4.374000 
1 1 1   79   10   18 o   7.5610   2.1960 1.646000 4.392000 
1 1 1   79   10   19 o   10.640   2.1910 3.449000 4.383000 
1 1 1   79   11    0 o   7.0900   3.1200 -0.000000 0.000000 
1 1 1   79   11    1 o   15.660   1.9490 -1.590000 3.897000 
1 1 1   79   11    2 o   8.2890   2.3330 -2.586000 4.666000 
1 1 1   79   11    3 o   7.4220   2.2660 0.1082000 4.533000 
1 1 1   79   11    4 o   9.0200   2.3570 -3.310000 4.715000 
1 1 1   79   11    5 o   15.770   1.9360 0.9542000 3.872000 
1 1 1   79   11    6 o   6.0660   1.9780 -1.974000 3.956000 
1 1 1   79   11    7 o   10.230   2.4270 -1.939000 4.854000 
1 1 1   79   11    8 o   18.200   1.7220 1.485000 3.444000 
1 1 1   79   11    9 o   9.3800   2.4110 -1.248000 4.821000 
1 1 1   79   11   10 o   6.3070   2.0290 -1.792000 4.058000 
1 1 1   79   11   11 f   8.4650   2.3650 0.3140000 4.729000 
1 1 1   79   11   12 o   13.460   2.2360 -2.885000 4.472000 
1 1 1   79   11   13 o   13.540   2.2250 1.661000 4.450000 
1 1 1   79   11   14 o   15.490   1.9860 -5.393000 3.972000 
1 1 1   79   11   15 o   6.5250   2.0790 -0.2145000 4.158000 
1 1 1   79   11   16 o   6.6980   2.0950 1.545000 4.190000 
1 1 1   79   11   17 o   7.6530   2.1900 -1.708000 4.380000 
1 1 1   79   11   18 o   6.9130   2.0750 2.766000 4.149000 
1 1 1   79   12    0 o   7.6930   3.2870 -0.000000 0.000000 
1 1 1   79   12    1 o   6.5580   3.0150      ?      ? 
1 1 1   79   12    2 o   9.2540   3.5120      ?      ? 
1 1 1   79   12    3 o   14.590   2.0830 9.854000 4.167000 
1 1 1   79   12    4 o   22.900   1.4340 -1.657000 2.867000 
1 1 1   79   12    5 o   22.780   1.4120 1.308000 2.823000 
1 1 1   79   12    6 o   8.8970   2.3630 2.419000 4.726000 
1 1 1   79   12    7 o   9.7170   2.4230 -0.4141000 4.847000 
1 1 1   79   12    8 o   20.100   1.6060 -5.497000 3.211000 
1 1 1   79   12    9 o   19.940   1.5910 -1.364000 3.181000 
1 1 1   79   12   10 o   13.090   2.3270 -2.163000 4.654000 
1 1 1   79   12   11 o   18.120   1.7740 -1.281000 3.548000 
1 1 1   79   12   12 f   11.500   2.4200 -2.027000 4.839000 
1 1 1   79   12   13 o   9.3900   2.4130 0.5488000 4.825000 
1 1 1   79   12   14 o   9.8940   2.3750 1.048000 4.750000 
1 1 1   79   12   15 o   7.3150   2.1970 1.041000 4.395000 
1 1 1   79   12   16 o   6.5950   2.0590 -1.305000 4.119000 
1 1 1   79   12   17 o   10.550   2.8220 0.2881000 5.644000 
1 1 1   79   13    0 f   9.4540   3.5120 -0.000000 0.000000 
1 1 1   79   13    1 o   7.5870   2.2790 0.7399000 4.559000 
1 1 1   79   13    2 o   13.830   2.2180 -4.645000 4.436000 
1 1 1   79   13    3 o   18.140   1.8630 5.370000 3.725000 
1 1 1   79   13    4 o   8.1360   2.3230 3.081000 4.645000 
1 1 1   79   13    5 o   15.660   2.0500 -4.837000 4.099000 
1 1 1   79   13    6 f   11.660   2.4050 -2.067000 4.809000 
1 1 1   79   13    7 o   9.7950   2.4570 0.8793000 4.913000 
1 1 1   79   13    8 o   9.3740   2.4350 -2.045000 4.870000 
1 1 1   79   13    9 o   10.130   2.4280 3.281000 4.855000 
1 1 1   79   13   10 o   8.6840   2.3360 3.539000 4.673000 
1 1 1   79   13   11 o   13.570   2.2270 3.937000 4.453000 
1 1 1   79   13   12 o   11.270   2.3930 1.410000 4.787000 
1 1 1   79   13   13 o   8.4900   2.3080 -2.815000 4.616000 
1 1 1   79   13   14 o   8.0620   2.2870 0.8093000 4.574000 
1 1 1   79   13   15 o   10.330   2.3980 0.4474000 4.796000 
1 1 1   79   14    0 o   5.8650   2.8030 -0.000000 0.000000 
1 1 1   79   14    1 o   12.150   2.4500 -3.033000 4.901000 
1 1 1   79   14    2 o   7.0140   2.1470 3.541000 4.295000 
1 1 1   79   14    3 o   8.2360   2.2060 5.143000 4.412000 
1 1 1   79   14    4 o   6.9170   2.1740 -2.907000 4.348000 
1 1 1   79   14    5 o   15.340   2.1620 4.929000 4.324000 
1 1 1   79   14    6 o   22.980   1.3950 2.932000 2.790000 
1 1 1   79   14    7 o   15.690   2.0070 2.473000 4.015000 
1 1 1   79   14    8 o   12.870   2.3280 -2.002000 4.656000 
1 1 1   79   14    9 o   8.3590   2.2700 4.156000 4.540000 
1 1 1   79   14   10 o   7.3330   2.2370 -1.288000 4.473000 
1 1 1   79   14   11 f   6.8400   2.1720 0.4702000 4.343000 
1 1 1   79   14   12 o   10.150   2.4740 0.1239000 4.948000 
1 1 1   79   14   13 o   7.1460   2.1900 1.957000 4.381000 
1 1 1   79   15    0 o   8.1690   3.3280 -0.000000 0.000000 
1 1 1   79   15    1 o   7.1380   2.2240 0.4298000 4.447000 
1 1 1   79   15    2 o   11.080   2.2520 6.687000 4.503000 
1 1 1   79   15    3 o   7.7830   2.3160 -0.9161000 4.632000 
1 1 1   79   15    4 o   9.1410   2.3740 -2.738000 4.748000 
1 1 1   79   15    5 o   6.8780   2.1390 1.542000 4.279000 
1 1 1   79   15    6 o   11.200   2.3520 -3.300000 4.704000 
1 1 1   79   15    7 o   9.0640   2.3540 -3.248000 4.708000 
1 1 1   79   15    8 o   9.5180   2.2950 5.502000 4.590000 
1 1 1   79   15    9 o   9.5230   2.2830 -4.663000 4.567000 
1 1 1   79   15   10 o   6.7840   2.9900      ?      ? 
1 1 1   79   15   11 o   10.870   4.2290      ?      ? 
1 1 1   79   16    0 o   12.460   3.4340 -0.000000 0.000000 
1 1 1   79   16    1 o   9.2160   2.4200 -1.749000 4.839000 
1 1 1   79   16    2 o   14.200   2.2630 -0.6461000 4.526000 
1 1 1   79   16    3 o   8.5500   2.3400 3.317000 4.681000 
1 1 1   79   16    4 o   9.4770   2.2440 5.887000 4.488000 
1 1 1   79   16    5 o   7.9000   2.2780 -1.115000 4.557000 
1 1 1   79   16    6 f   8.9410   2.3200 3.212000 4.641000 
1 1 1   79   16    7 f   6.9290   2.1610 -0.1079000 4.323000 
1 1 1   80    0    0 o   14.710   3.6880 -0.000000 0.000000 
1 1 1   80    0    1 o   7.9460   3.1850 -0.000000 0.000000 
1 1 1   80    0    2 o   24.270   1.6500 -0.000000 0.000000 
1 1 1   80    0    3 o   19.290   2.1040 -0.000000 0.000000 
1 1 1   80    0    4 o   22.880   1.8470 -0.000000 0.000000 
1 1 1   80    0    5 o   31.570   1.3810 -0.000000 0.000000 
1 1 1   80    0    6 o   41.120   1.1910 -0.000000 0.000000 
1 1 1   80    0    7 o   13.870   3.0810 -0.000000 0.000000 
1 1 1   80    0    8 o   11.120   3.4270 -0.000000 0.000000 
1 1 1   80    0    9 o   17.940   2.4040 -0.000000 0.000000 
1 1 1   80    0   10 o   16.420   2.6670 -0.000000 0.000000 
1 1 1   80    0   11 o   7.4940   3.2080 -0.000000 0.000000 
1 1 1   80    0   12 f   11.920   3.6000 -0.000000 0.000000 
1 1 1   80    0   13 o   41.730   1.2670 -0.000000 0.000000 
1 1 1   80    0   14 o   31.840   1.4930 -0.000000 0.000000 
1 1 1   80    0   15 o   12.030   3.4770 -0.000000 0.000000 
1 1 1   80    0   16 o   20.060   2.2010 -0.000000 0.000000 
1 1 1   80    0   17 o   6.6410   3.0060 -0.000000 0.000000 
1 1 1   80    0   18 o   9.7480   3.4730 -0.000000 0.000000 
1 1 1   80    0   19 o   7.0690   3.1000 -0.000000 0.000000 
1 1 1   80    0   20 o   11.460   3.1900 -0.000000 0.000000 
1 1 1   80    0   21 o   10.060   3.1610 -0.000000 0.000000 
1 1 1   80    0   22 o   15.050   2.3730 -0.000000 0.000000 
1 1 1   80    0   23 o   8.0230   3.1030 -0.000000 0.000000 
1 1 1   80    1    0 o   12.680   3.0670 -0.000000 0.000000 
1 1 1   80    1    1 o   14.480   1.9910 5.572000 3.983000 
1 1 1   80    1    2 o   33.760   0.9141 -2.553000 1.828000 
1 1 1   80    1    3 o   7.6770   2.2210 -1.519000 4.443000 
1 1 1   80    1    4 o   50.420   0.8064 0.7861000 1.613000 
1 1 1   80    1    5 o   30.750   1.0050 3.332000 2.011000 
1 1 1   80    1    6 o   6.9910   2.1320 1.403000 4.263000 
1 1 1   80    1    7 o   10.650   2.3850 -1.939000 4.770000 
1 1 1   80    1    8 f   26.870   1.1350 -1.726000 2.269000 
1 1 1   80    1    9 o   13.880   2.1770 -3.657000 4.353000 
1 1 1   80    1   10 o   19.600   1.5970 -5.460000 3.194000 
1 1 1   80    1   11 o   30.240   1.0750 2.491000 2.151000 
1 1 1   80    1   12 o   14.740   2.9890      ?      ? 
1 1 1   80    1   13 o   12.980   2.3460 -0.3548000 4.691000 
1 1 1   80    1   14 o   22.370   1.4230 -2.390000 2.845000 
1 1 1   80    1   15 o   7.3120   2.1860 3.917000 4.372000 
1 1 1   80    1   16 o   16.560   1.9240 -4.024000 3.848000 
1 1 1   80    1   17 o   8.6520   2.3410 -3.366000 4.682000 
1 1 1   80    1   18 o   12.300   2.2530 -5.391000 4.507000 
1 1 1   80    1   19 o   8.3290   2.2860 2.859000 4.572000 
1 1 1   80    1   20 o   14.290   1.9870 -2.127000 3.974000 
1 1 1   80    1   21 o   8.4590   2.2320 -1.572000 4.463000 
1 1 1   80    1   22 o   5.5240   1.8340 -0.4490000 3.667000 
1 1 1   80    1   23 o   8.9080   2.2350 1.307000 4.471000 
1 1 1   80    2    0 o   17.340   1.7180 -0.000000 0.000000 
1 1 1   80    2    1 o   18.940   1.1250 -3.535000 2.250000 
1 1 1   80    2    2 o   39.910   0.6542 0.1243000 1.308000 
1 1 1   80    2    3 o   40.520   0.6467 2.597000 1.293000 
1 1 1   80    2    4 o   50.680   0.6269 -1.675000 1.254000 
1 1 1   80    2    5 o   40.650   0.6473 -0.4096000 1.295000 
1 1 1   80    2    6 o   19.150   1.0920 1.403000 2.183000 
1 1 1   80    2    7 o   34.120   0.7013 3.352000 1.403000 
1 1 1   80    2    8 o   36.440   0.6995 3.562000 1.399000 
1 1 1   80    2    9 o   22.350   0.9858 -0.9334000 1.972000 
1 1 1   80    2   10 o   23.400   0.9809 0.6995000 1.962000 
1 1 1   80    2   11 o   13.840   1.6420 -1.223000 3.284000 
1 1 1   80    2   12 o   37.470   0.8331 1.843000 1.666000 
1 1 1   80    2   13 o   15.720   1.7310 -0.8553000 3.462000 
1 1 1   80    2   14 o   13.980   2.0190 3.284000 4.039000 
1 1 1   80    2   15 o   29.040   0.9678 -1.843000 1.936000 
1 1 1   80    2   16 o   10.200   2.2380 1.494000 4.475000 
1 1 1   80    2   17 o   15.840   1.7300 0.8274000E-02 3.460000 
1 1 1   80    2   18 o   11.740   2.1480 -2.247000 4.295000 
1 1 1   80    2   19 o   23.220   1.2900 -3.329000 2.579000 
1 1 1   80    2   20 o   8.3870   2.2680 0.9355000 4.535000 
1 1 1   80    2   21 o   8.8610   2.2670 -1.525000 4.535000 
1 1 1   80    2   22 o   8.5660   2.1200 -4.272000 4.239000 
1 1 1   80    2   23 o   5.5590   1.8370 1.056000 3.675000 
1 1 1   80    3    0 o   37.050   0.9562 -0.000000 0.000000 
1 1 1   80    3    1 o   16.070   1.3310 -0.4686000 2.662000 
1 1 1   80    3    2 o   15.270   1.3920 1.657000 2.784000 
1 1 1   80    3    3 o   13.460   1.6200 -0.9449000 3.240000 
1 1 1   80    3    4 o   24.340   0.9043 0.3381000 1.809000 
1 1 1   80    3    5 f   27.570   0.8215 -1.998000 1.643000 
1 1 1   80    3    6 o   22.750   0.9598 1.492000 1.920000 
1 1 1   80    3    7 f   15.900   1.3910 -1.233000 2.782000 
1 1 1   80    3    8 o   21.350   1.0690 0.5477000 2.138000 
1 1 1   80    3    9 o   34.420   0.7192 -0.5543000 1.438000 
1 1 1   80    3   10 o   26.530   0.8883 -2.815000 1.777000 
1 1 1   80    3   11 o   28.800   0.8399 2.361000 1.680000 
1 1 1   80    3   12 o   24.290   0.9732 -5.118000 1.946000 
1 1 1   80    3   13 o   24.140   1.0240 0.5595000 2.047000 
1 1 1   80    3   14 o   8.1620   2.1460 -1.214000 4.292000 
1 1 1   80    3   15 o   9.3470   2.0710 -3.441000 4.142000 
1 1 1   80    3   16 o   9.1370   1.7730 7.999000 3.545000 
1 1 1   80    3   17 o   9.7000   2.1790 0.4982000 4.359000 
1 1 1   80    3   18 o   14.840   1.5840 1.425000 3.168000 
1 1 1   80    3   19 o   6.0940   1.8760 -1.479000 3.753000 
1 1 1   80    3   20 o   11.190   2.0080 3.830000 4.016000 
1 1 1   80    3   21 o   9.4530   2.0810 0.9940000 4.162000 
1 1 1   80    3   22 o   6.7560   1.9780 -0.9293000 3.955000 
1 1 1   80    3   23 o   9.9890   1.9390 4.547000 3.877000 
1 1 1   80    4    0 o   13.670   2.5990 -0.000000 0.000000 
1 1 1   80    4    1 o   21.540   1.1690 -0.3406000E-01 2.337000 
1 1 1   80    4    2 o   19.420   1.3620 2.761000 2.725000 
1 1 1   80    4    3 o   18.050   1.4710 2.908000 2.942000 
1 1 1   80    4    4 o   11.180   2.1040 3.135000 4.207000 
1 1 1   80    4    5 o   18.350   1.4230 0.4464000 2.847000 
1 1 1   80    4    6 o   21.160   1.2090 1.714000 2.418000 
1 1 1   80    4    7 o   14.380   1.8880 -0.8975000 3.776000 
1 1 1   80    4    8 o   48.190   0.7718 -1.840000 1.544000 
1 1 1   80    4    9 o   6.9810   2.1020 -0.5892000 4.204000 
1 1 1   80    4   10 o   8.0080   2.2340 -0.9870000 4.469000 
1 1 1   80    4   11 o   12.570   2.0250 -1.259000 4.050000 
1 1 1   80    4   12 o   20.850   1.2420 0.8282000 2.483000 
1 1 1   80    4   13 o   9.5560   2.2600 -2.211000 4.520000 
1 1 1   80    4   14 o   18.620   1.4250 1.239000 2.849000 
1 1 1   80    4   15 o   8.1640   2.1830 1.599000 4.366000 
1 1 1   80    4   16 o   10.820   1.9960 5.824000 3.992000 
1 1 1   80    4   17 o   14.150   1.8580 -5.464000 3.715000 
1 1 1   80    4   18 o   7.9370   1.9580 -5.231000 3.915000 
1 1 1   80    4   19 o   6.3470   1.9200 0.7701000 3.839000 
1 1 1   80    4   20 o   6.4370   1.8670 1.970000 3.733000 
1 1 1   80    4   21 o   8.0100   2.0170 -0.9657000 4.034000 
1 1 1   80    4   22 o   7.0240   1.9340 -1.036000 3.867000 
1 1 1   80    4   23 o   7.8220   1.7710 -5.797000 3.542000 
1 1 1   80    5    0 o   15.860   2.4820 -0.000000 0.000000 
1 1 1   80    5    1 o   25.750   1.0680 -3.245000 2.135000 
1 1 1   80    5    2 o   47.910   0.7902 -2.327000 1.580000 
1 1 1   80    5    3 o   9.9720   2.2580 1.030000 4.515000 
1 1 1   80    5    4 o   14.380   1.8370 1.848000 3.674000 
1 1 1   80    5    5 o   15.490   1.7390 1.680000 3.478000 
1 1 1   80    5    6 o   11.250   2.1930 -1.161000 4.386000 
1 1 1   80    5    7 o   27.880   1.0110 -0.1449000 2.023000 
1 1 1   80    5    8 o   25.550   1.0920 3.865000 2.185000 
1 1 1   80    5    9 o   16.380   1.7390 -5.756000 3.478000 
1 1 1   80    5   10 o   11.910   2.2200 2.121000 4.440000 
1 1 1   80    5   11 o   9.3770   2.2840 -3.215000 4.567000 
1 1 1   80    5   12 o   6.6570   2.0810 -1.474000 4.161000 
1 1 1   80    5   13 o   10.930   2.3690 -1.210000 4.737000 
1 1 1   80    5   14 o   9.2060   2.2580 -4.007000 4.516000 
1 1 1   80    5   15 o   12.740   2.1650 -3.683000 4.330000 
1 1 1   80    5   16 o   13.780   2.0080 -6.859000 4.016000 
1 1 1   80    5   17 o   5.8210   1.9230 -0.6262000 3.847000 
1 1 1   80    5   18 o   14.350   1.9580 6.594000 3.917000 
1 1 1   80    5   19 o   8.2370   2.2160 1.811000 4.432000 
1 1 1   80    5   20 o   13.450   1.7960 0.2397000 3.591000 
1 1 1   80    5   21 o   10.090   2.0180 2.621000 4.037000 
1 1 1   80    5   22 o   5.8580   1.8360 0.5170000 3.673000 
1 1 1   80    6    0 o   39.410   1.1950 -0.000000 0.000000 
1 1 1   80    6    1 o   21.190   1.8150      ?      ? 
1 1 1   80    6    2 o   27.830   1.0270 3.970000 2.053000 
1 1 1   80    6    3 o   21.370   1.2810 0.5127000 2.561000 
1 1 1   80    6    4 o   23.370   1.1870 -0.5675000 2.373000 
1 1 1   80    6    5 o   13.430   2.0560 0.7891000 4.113000 
1 1 1   80    6    6 o   10.230   2.2600 3.003000 4.520000 
1 1 1   80    6    7 o   11.120   2.2640 1.661000 4.529000 
1 1 1   80    6    8 o   8.1880   2.2410 1.417000 4.482000 
1 1 1   80    6    9 o   23.340   1.2660 -5.207000 2.533000 
1 1 1   80    6   10 o   12.540   2.0970 -6.996000 4.194000 
1 1 1   80    6   11 f   14.380   2.0150 -5.926000 4.031000 
1 1 1   80    6   12 o   13.190   2.0840 -6.913000 4.168000 
1 1 1   80    6   13 o   18.050   1.6900 -0.2449000 3.380000 
1 1 1   80    6   14 o   8.3520   2.2060 -4.986000 4.412000 
1 1 1   80    6   15 o   11.360   3.3680      ?      ? 
1 1 1   80    6   16 o   11.040   2.3350 -1.848000 4.670000 
1 1 1   80    6   17 o   10.540   2.3620 -1.405000 4.724000 
1 1 1   80    6   18 o   14.670   1.9720 4.865000 3.943000 
1 1 1   80    6   19 o   21.550   1.2650 -1.850000 2.530000 
1 1 1   80    6   20 o   6.7020   2.0520 -0.3409000 4.104000 
1 1 1   80    6   21 o   5.8770   1.8880 1.397000 3.776000 
1 1 1   80    6   22 o   10.660   1.9730 -7.008000 3.945000 
1 1 1   80    7    0 o   12.350   3.0310 -0.000000 0.000000 
1 1 1   80    7    1 o   16.870   1.6940 3.567000 3.388000 
1 1 1   80    7    2 o   7.5710   2.1790 -1.814000 4.359000 
1 1 1   80    7    3 o   8.7280   2.1690 4.689000 4.338000 
1 1 1   80    7    4 o   10.910   2.3330 -0.5367000 4.666000 
1 1 1   80    7    5 o   23.320   1.2460 3.299000 2.492000 
1 1 1   80    7    6 o   19.050   1.5410 -3.907000 3.082000 
1 1 1   80    7    7 o   14.050   2.0210 0.9905000 4.042000 
1 1 1   80    7    8 o   16.750   1.7230 -0.5021000 3.446000 
1 1 1   80    7    9 o   8.7580   2.3110 -1.429000 4.623000 
1 1 1   80    7   10 o   6.8100   2.0960 -1.852000 4.191000 
1 1 1   80    7   11 o   8.0580   2.2420 -3.275000 4.484000 
1 1 1   80    7   12 o   13.610   2.1520 -5.334000 4.304000 
1 1 1   80    7   13 f   12.310   2.2410 5.928000 4.481000 
1 1 1   80    7   14 o   6.6100   2.1120 -1.584000 4.224000 
1 1 1   80    7   15 o   14.900   2.0430 3.593000 4.087000 
1 1 1   80    7   16 o   6.7360   2.0880 1.771000 4.176000 
1 1 1   80    7   17 o   17.090   1.7270 1.442000 3.453000 
1 1 1   80    7   18 o   10.870   2.2400 -3.146000 4.480000 
1 1 1   80    7   19 o   9.3840   2.3000 0.3859000 4.601000 
1 1 1   80    7   20 o   11.440   2.1610 4.076000 4.322000 
1 1 1   80    7   21 o   9.0120   2.2650 -1.134000 4.530000 
1 1 1   80    8    0 o   9.0210   3.2690 -0.000000 0.000000 
1 1 1   80    8    1 o   7.2510   2.1750 -0.7796000 4.350000 
1 1 1   80    8    2 o   16.070   1.8800 5.279000 3.760000 
1 1 1   80    8    3 o   29.980   1.0220 -2.607000 2.044000 
1 1 1   80    8    4 o   22.200   1.3300 -2.622000 2.659000 
1 1 1   80    8    5 o   12.560   2.1200 6.671000 4.239000 
1 1 1   80    8    6 o   24.310   1.1960 -0.2089000 2.393000 
1 1 1   80    8    7 o   13.300   2.1340 4.182000 4.267000 
1 1 1   80    8    8 f   10.770   2.3440 0.5679000E-01 4.688000 
1 1 1   80    8    9 o   9.0500   2.2040 5.266000 4.409000 
1 1 1   80    8   10 o   11.910   2.3160 1.841000 4.632000 
1 1 1   80    8   11 o   13.720   2.1420 -2.869000 4.284000 
1 1 1   80    8   12 o   8.7400   2.3050 -1.967000 4.610000 
1 1 1   80    8   13 o   11.930   2.2870 2.642000 4.574000 
1 1 1   80    8   14 o   9.4100   2.2750 4.599000 4.551000 
1 1 1   80    8   15 o   11.190   2.2580 -4.666000 4.515000 
1 1 1   80    8   16 o   16.100   1.8190 -0.4322000 3.639000 
1 1 1   80    8   17 o   8.2220   2.2960 -0.2693000 4.592000 
1 1 1   80    8   18 o   10.440   2.2560 -3.441000 4.513000 
1 1 1   80    8   19 o   10.730   2.2490 -2.175000 4.499000 
1 1 1   80    8   20 o   7.1960   2.1430 -0.3622000 4.286000 
1 1 1   80    9    0 o   26.010   1.5800 -0.000000 0.000000 
1 1 1   80    9    1 o   6.9160   2.1210 1.728000 4.242000 
1 1 1   80    9    2 o   25.350   1.1980 -2.865000 2.396000 
1 1 1   80    9    3 o   9.5160   2.0660 -7.496000 4.132000 
1 1 1   80    9    4 o   10.760   2.3230 -2.310000 4.646000 
1 1 1   80    9    5 o   15.310   2.0210 -5.362000 4.042000 
1 1 1   80    9    6 f   9.6220   2.3550 -2.091000 4.709000 
1 1 1   80    9    7 o   14.330   2.0430 1.301000 4.087000 
1 1 1   80    9    8 o   11.650   2.3390 -0.3805000 4.678000 
1 1 1   80    9    9 o   12.190   2.1860 -6.345000 4.373000 
1 1 1   80    9   10 o   18.860   1.5920 -0.5625000 3.183000 
1 1 1   80    9   11 o   14.800   2.0380 4.234000 4.077000 
1 1 1   80    9   12 o   11.780   2.3450 1.787000 4.691000 
1 1 1   80    9   13 f   15.660   1.9710 -3.125000 3.942000 
1 1 1   80    9   14 o   9.4280   2.3620 2.444000 4.725000 
1 1 1   80    9   15 o   10.500   2.3360 -3.499000 4.672000 
1 1 1   80    9   16 o   16.120   1.8020 -0.7184000 3.603000 
1 1 1   80    9   17 o   7.9070   2.2160 1.572000 4.432000 
1 1 1   80    9   18 o   10.520   2.3060 0.7347000 4.612000 
1 1 1   80    9   19 o   12.210   2.1530 -0.2679000 4.306000 
1 1 1   80    9   20 o   6.2670   2.0070 -0.5432000 4.014000 
1 1 1   80   10    0 o   11.360   3.3920 -0.000000 0.000000 
1 1 1   80   10    1 o   7.9560   2.2370 -2.337000 4.474000 
1 1 1   80   10    2 o   6.3360   2.0520 0.9344000 4.103000 
1 1 1   80   10    3 o   14.410   2.1070 -0.9667000 4.214000 
1 1 1   80   10    4 o   24.460   1.2880 3.654000 2.575000 
1 1 1   80   10    5 o   8.6220   2.3070 -3.418000 4.614000 
1 1 1   80   10    6 f   16.450   1.8250 -0.2895000E-01 3.651000 
1 1 1   80   10    7 o   8.0450   2.3060 -0.3452000 4.612000 
1 1 1   80   10    8 o   12.370   2.3440 0.2707000 4.689000 
1 1 1   80   10    9 o   14.350   2.1640 -0.2472000 4.328000 
1 1 1   80   10   10 o   7.0760   2.1820 2.241000 4.364000 
1 1 1   80   10   11 o   10.330   2.4150 -0.4021000 4.830000 
1 1 1   80   10   12 o   13.850   2.2080 -3.033000 4.417000 
1 1 1   80   10   13 o   11.860   2.3460 2.355000 4.692000 
1 1 1   80   10   14 o   10.500   2.2320 -5.588000 4.464000 
1 1 1   80   10   15 o   8.6750   2.2910 4.169000 4.583000 
1 1 1   80   10   16 o   15.160   1.9670 -0.2442000 3.934000 
1 1 1   80   10   17 o   12.750   2.1690 -1.695000 4.339000 
1 1 1   80   10   18 o   5.3890   1.8090 -0.8166000 3.618000 
1 1 1   80   10   19 o   8.2890   2.1280 -5.367000 4.256000 
1 1 1   80   11    0 o   9.3470   3.4890 -0.000000 0.000000 
1 1 1   80   11    1 o   12.010   2.2860 -4.059000 4.572000 
1 1 1   80   11    2 o   13.710   2.2420 -4.445000 4.485000 
1 1 1   80   11    3 o   13.730   2.2710 -1.992000 4.542000 
1 1 1   80   11    4 o   11.860   2.3710 -3.204000 4.742000 
1 1 1   80   11    5 o   19.350   1.6450 -0.8793000 3.291000 
1 1 1   80   11    6 o   17.450   1.7550 1.466000 3.510000 
1 1 1   80   11    7 o   7.0650   2.1780 -0.9210000E-01 4.356000 
1 1 1   80   11    8 f   8.9970   2.0150 -7.503000 4.031000 
1 1 1   80   11    9 o   8.5650   2.3450 -1.878000 4.690000 
1 1 1   80   11   10 o   14.850   2.0710 4.942000 4.143000 
1 1 1   80   11   11 o   18.680   1.6970 -3.553000 3.393000 
1 1 1   80   11   12 o   10.370   2.4890 -0.7504000E-01 4.978000 
1 1 1   80   11   13 o   6.5910   2.0870 2.042000 4.175000 
1 1 1   80   11   14 o   7.3050   2.2120 -0.2497000 4.423000 
1 1 1   80   11   15 o   10.110   2.3360 -2.000000 4.672000 
1 1 1   80   11   16 o   8.0270   2.2190 2.667000 4.438000 
1 1 1   80   11   17 o   12.310   2.1330 -5.614000 4.266000 
1 1 1   80   12    0 o   23.750   1.9560 -0.000000 0.000000 
1 1 1   80   12    1 o   24.150   1.3070 -2.446000 2.615000 
1 1 1   80   12    2 o   15.700   2.0810 -2.692000 4.163000 
1 1 1   80   12    3 o   13.070   2.0170 10.47000 4.033000 
1 1 1   80   12    4 o   9.4930   2.3660 -3.917000 4.733000 
1 1 1   80   12    5 o   6.8420   2.1560 0.2590000 4.313000 
1 1 1   80   12    6 o   6.4180   2.0610 1.416000 4.122000 
1 1 1   80   12    7 o   10.090   2.4430 -0.4812000 4.887000 
1 1 1   80   12    8 o   10.100   2.4520 -0.4033000 4.904000 
1 1 1   80   12    9 o   9.6550   2.4680 0.6186000 4.937000 
1 1 1   80   12   10 o   10.680   2.0880 8.991000 4.177000 
1 1 1   80   12   11 o   9.4310   2.3720 3.875000 4.744000 
1 1 1   80   12   12 o   14.290   2.1600 -4.648000 4.320000 
1 1 1   80   12   13 o   9.6010   2.3770 2.242000 4.754000 
1 1 1   80   12   14 o   8.8610   2.3330 -1.266000 4.665000 
1 1 1   80   12   15 o   8.1250   2.2400 2.746000 4.479000 
1 1 1   80   12   16 o   9.0030   2.2720 3.632000 4.544000 
1 1 1   80   13    0 o   6.2730   2.9180 -0.000000 0.000000 
1 1 1   80   13    1 o   9.6480   2.4600 2.002000 4.921000 
1 1 1   80   13    2 o   9.9380   2.3390 4.769000 4.678000 
1 1 1   80   13    3 o   14.350   2.2160 -5.255000 4.433000 
1 1 1   80   13    4 o   8.5320   2.3630 2.471000 4.726000 
1 1 1   80   13    5 o   8.8320   2.3740 -2.845000 4.747000 
1 1 1   80   13    6 o   7.6690   2.2880 -0.8209000 4.576000 
1 1 1   80   13    7 o   11.550   2.4420 1.359000 4.883000 
1 1 1   80   13    8 o   12.180   2.2990 -5.309000 4.599000 
1 1 1   80   13    9 o   7.4270   2.2290 2.409000 4.457000 
1 1 1   80   13   10 o   10.740   2.4070 2.554000 4.814000 
1 1 1   80   13   11 o   9.4470   2.4160 0.3471000 4.831000 
1 1 1   80   13   12 o   7.3460   2.2050 -1.162000 4.410000 
1 1 1   80   13   13 o   10.290   2.4260 0.8896000 4.852000 
1 1 1   80   13   14 o   11.480   2.2760 -4.362000 4.552000 
1 1 1   80   14    0 o   14.280   3.3000 -0.000000 0.000000 
1 1 1   80   14    1 o   8.0860   2.3710 -1.248000 4.741000 
1 1 1   80   14    2 o   8.9980   2.4060 -3.036000 4.812000 
1 1 1   80   14    3 o   9.3780   2.5060 -0.7343000 5.011000 
1 1 1   80   14    4 o   9.6170   2.2430 6.235000 4.487000 
1 1 1   80   14    5 f   11.500   2.3680 5.195000 4.736000 
1 1 1   80   14    6 o   12.510   2.2140 -6.763000 4.428000 
1 1 1   80   14    7 o   14.620   2.1300 2.946000 4.259000 
1 1 1   80   14    8 o   6.1680   2.0220 1.016000 4.045000 
1 1 1   80   14    9 o   11.200   2.2680 6.056000 4.536000 
1 1 1   80   14   10 o   6.9630   2.1410 3.266000 4.281000 
1 1 1   80   14   11 o   8.7970   2.4180 0.3533000 4.836000 
1 1 1   80   14   12 o   7.4120   2.2530 0.4160000 4.506000 
1 1 1   80   15    0 o   8.8520   3.4570 -0.000000 0.000000 
1 1 1   80   15    1 o   6.8400   2.1550 0.6651000 4.309000 
1 1 1   80   15    2 o   16.880   1.9230 3.101000 3.846000 
1 1 1   80   15    3 o   9.6230   2.4110 3.130000 4.821000 
1 1 1   80   15    4 o   7.8020   2.2580 -2.040000 4.515000 
1 1 1   80   15    5 o   9.1430   2.4130 0.4497000 4.826000 
1 1 1   80   15    6 o   7.4580   2.2450 0.7992000E-01 4.489000 
1 1 1   80   15    7 o   13.710   2.2560 3.983000 4.511000 
1 1 1   80   15    8 o   10.590   2.4690 1.500000 4.937000 
1 1 1   80   15    9 o   8.2990   2.2640 -3.766000 4.528000 
1 1 1   80   15   10 o   9.5730   2.3940 5.364000 4.789000 
1 1 1   80   16    0 o   10.930   3.5170 -0.000000 0.000000 
1 1 1   80   16    1 o   9.0200   2.3850 -1.322000 4.770000 
1 1 1   80   16    2 o   11.120   2.3190 -5.256000 4.638000 
1 1 1   80   16    3 o   7.8220   2.2860 1.438000 4.572000 
1 1 1   80   16    4 f   11.630   2.0550 -9.104000 4.110000 
1 1 1   80   16    5 o   10.570   2.3370 3.669000 4.674000 
1 1 1   80   16    6 o   8.7070   2.3570 2.023000 4.714000 
1 1 1   81    0    1 o   7.3420   3.1440 -0.000000 0.000000 
1 1 1   81    0    2 o   7.9950   3.2560 -0.000000 0.000000 
1 1 1   81    0    3 o   23.210   1.8430 -0.000000 0.000000 
1 1 1   81    0    4 o   24.870   1.7050 -0.000000 0.000000 
1 1 1   81    0    5 o   22.560   1.9450 -0.000000 0.000000 
1 1 1   81    0    6 o   32.720   1.3510 -0.000000 0.000000 
1 1 1   81    0    7 o   25.050   1.7240 -0.000000 0.000000 
1 1 1   81    0    8 o   17.660   2.5440 -0.000000 0.000000 
1 1 1   81    0    9 o   30.830   1.5310 -0.000000 0.000000 
1 1 1   81    0   10 o   11.280   3.5080 -0.000000 0.000000 
1 1 1   81    0   11 o   5.8160   2.7620 -0.000000 0.000000 
1 1 1   81    0   12 o   16.110   2.8670 -0.000000 0.000000 
1 1 1   81    0   13 o   50.570   1.2410 -0.000000 0.000000 
1 1 1   81    0   14 o   15.080   3.1130 -0.000000 0.000000 
1 1 1   81    0   15 o   23.010   1.9800 -0.000000 0.000000 
1 1 1   81    0   16 o   19.730   2.2970 -0.000000 0.000000 
1 1 1   81    0   17 o   6.3100   2.9170 -0.000000 0.000000 
1 1 1   81    0   18 o   7.4300   3.1830 -0.000000 0.000000 
1 1 1   81    0   19 o   14.650   2.8960 -0.000000 0.000000 
1 1 1   81    0   20 o   10.380   3.3090 -0.000000 0.000000 
1 1 1   81    0   21 o   14.970   2.4580 -0.000000 0.000000 
1 1 1   81    0   22 o   12.090   2.8640 -0.000000 0.000000 
1 1 1   81    0   23 o   6.2380   2.7740 -0.000000 0.000000 
1 1 1   81    1    0 o   47.310   1.1670 -0.000000 0.000000 
1 1 1   81    1    1 o   12.790   2.2000 -0.7176000 4.400000 
1 1 1   81    1    2 f   12.540   2.2330 2.031000 4.465000 
1 1 1   81    1    3 o   12.450   2.2930 -0.3342000 4.586000 
1 1 1   81    1    4 o   43.970   0.8619 -0.2895000 1.724000 
1 1 1   81    1    5 o   16.150   2.5980      ?      ? 
1 1 1   81    1    6 o   13.500   2.1800 -1.325000 4.360000 
1 1 1   81    1    7 o   24.950   1.2140 0.7574000E-01 2.429000 
1 1 1   81    1    8 f   8.6680   2.2920 -3.634000 4.585000 
1 1 1   81    1    9 o   6.8180   2.1440 -1.110000 4.287000 
1 1 1   81    1   10 o   19.940   2.2050      ?      ? 
1 1 1   81    1   11 o   16.610   1.9410 1.685000 3.883000 
1 1 1   81    1   12 o   21.740   1.5240 -5.940000 3.048000 
1 1 1   81    1   13 o   12.840   2.3800 -1.823000 4.761000 
1 1 1   81    1   14 o   17.470   1.8110 3.286000 3.621000 
1 1 1   81    1   15 o   15.270   2.0580 2.277000 4.115000 
1 1 1   81    1   16 o   21.360   1.4540 2.280000 2.909000 
1 1 1   81    1   17 o   7.5510   2.2480 2.506000 4.497000 
1 1 1   81    1   18 o   8.5530   2.3810 0.5936000 4.762000 
1 1 1   81    1   19 o   9.8270   2.3870 1.247000 4.774000 
1 1 1   81    1   20 o   7.9170   2.2430 -0.2490000E-01 4.486000 
1 1 1   81    1   21 o   11.190   2.2030 1.682000 4.407000 
1 1 1   81    1   22 o   5.9880   2.7440      ?      ? 
1 1 1   81    1   23 o   10.770   3.2140      ?      ? 
1 1 1   81    2    0 f   4.7820   2.2730 -0.000000 0.000000 
1 1 1   81    2    1 o   39.640   0.6682 -1.937000 1.336000 
1 1 1   81    2    2 o   14.610   1.5320 -1.790000 3.064000 
1 1 1   81    2    3 o   20.280   1.0740 3.160000 2.148000 
1 1 1   81    2    4 o   15.760   1.3660 2.999000 2.733000 
1 1 1   81    2    5 o   25.170   0.9062 1.373000 1.812000 
1 1 1   81    2    6 o   20.530   1.0560 -0.1502000E-01 2.112000 
1 1 1   81    2    7 o   29.340   0.7955 -2.738000 1.591000 
1 1 1   81    2    8 o   26.080   0.8819 0.3201000 1.764000 
1 1 1   81    2    9 o   13.740   1.6800 1.253000 3.359000 
1 1 1   81    2   10 o   31.360   0.7840 3.344000 1.568000 
1 1 1   81    2   11 o   14.290   1.6180 2.454000 3.236000 
1 1 1   81    2   12 o   12.270   1.9600 7.077000 3.920000 
1 1 1   81    2   13 o   9.8970   2.3030 -3.369000 4.606000 
1 1 1   81    2   14 o   16.210   1.7350 -4.276000 3.470000 
1 1 1   81    2   15 o   10.900   2.2040 2.682000 4.408000 
1 1 1   81    2   16 o   11.060   2.2230 -2.899000 4.445000 
1 1 1   81    2   17 o   22.630   1.2360 1.723000 2.473000 
1 1 1   81    2   18 o   15.340   1.8330 3.930000 3.666000 
1 1 1   81    2   19 o   10.830   2.2540 -4.565000 4.508000 
1 1 1   81    2   20 f   14.910   1.8870 -0.1792000E-01 3.775000 
1 1 1   81    2   21 o   9.3210   2.2810 0.3308000E-01 4.561000 
1 1 1   81    2   22 o   7.7870   2.1510 -1.210000 4.303000 
1 1 1   81    2   23 o   8.1620   1.9920 -5.461000 3.983000 
1 1 1   81    3    0 o   26.620   1.2110 -0.000000 0.000000 
1 1 1   81    3    1 o   10.960   1.9280 0.8521000 3.855000 
1 1 1   81    3    2 o   13.120   1.6890 1.300000 3.379000 
1 1 1   81    3    3 o   28.180   0.8122 0.6075000 1.624000 
1 1 1   81    3    4 o   36.560   0.6758 -1.835000 1.352000 
1 1 1   81    3    5 o   20.740   1.0460 1.538000 2.092000 
1 1 1   81    3    6 o   6.2120   1.8380 -2.426000 3.677000 
1 1 1   81    3    7 o   13.960   1.6440 1.755000 3.288000 
1 1 1   81    3    8 f   12.570   1.8280 1.665000 3.655000 
1 1 1   81    3    9 o   32.540   0.7682 -1.355000 1.536000 
1 1 1   81    3   10 o   13.530   1.7360 -2.273000 3.472000 
1 1 1   81    3   11 o   6.6520   1.9480 2.207000 3.896000 
1 1 1   81    3   12 o   9.7020   2.1330 1.088000 4.267000 
1 1 1   81    3   13 o   37.000   0.7326 1.632000 1.465000 
1 1 1   81    3   14 f   19.860   1.2160 -2.043000 2.433000 
1 1 1   81    3   15 f   17.250   1.4420 1.366000 2.884000 
1 1 1   81    3   16 o   12.980   1.9090 -2.850000 3.818000 
1 1 1   81    3   17 f   6.4380   1.9610 -0.6088000 3.922000 
1 1 1   81    3   18 o   10.560   2.0020 -3.821000 4.003000 
1 1 1   81    3   19 o   5.6460   1.7970 0.3649000 3.595000 
1 1 1   81    3   20 o   8.0380   2.1360 -1.098000 4.273000 
1 1 1   81    3   21 o   13.220   1.7790 -0.1205000 3.557000 
1 1 1   81    3   22 o   6.2590   1.8810 1.474000 3.761000 
1 1 1   81    3   23 o   11.200   1.9790 2.767000 3.958000 
1 1 1   81    4    0 o   5.9730   2.7140 -0.000000 0.000000 
1 1 1   81    4    1 o   10.130   2.2480 1.508000 4.497000 
1 1 1   81    4    2 o   10.520   2.2350 0.7371000 4.470000 
1 1 1   81    4    3 o   7.4480   2.1380 -0.6747000 4.275000 
1 1 1   81    4    4 o   25.830   1.0180 1.081000 2.037000 
1 1 1   81    4    5 o   49.630   0.7665 -0.5884000 1.533000 
1 1 1   81    4    6 f   12.860   1.9660 6.621000 3.932000 
1 1 1   81    4    7 o   12.610   2.0910 -3.510000 4.181000 
1 1 1   81    4    8 o   35.580   1.2430      ?      ? 
1 1 1   81    4    9 o   29.140   0.9808 0.7824000 1.962000 
1 1 1   81    4   10 f   16.960   1.7150 3.990000 3.430000 
1 1 1   81    4   11 o   13.430   1.9060 -5.034000 3.812000 
1 1 1   81    4   12 o   10.700   2.0350 -7.355000 4.070000 
1 1 1   81    4   13 o   14.810   1.9160 4.276000 3.832000 
1 1 1   81    4   14 o   8.6190   2.2100 2.044000 4.419000 
1 1 1   81    4   15 o   7.3500   2.1430 0.2816000 4.285000 
1 1 1   81    4   16 o   11.760   2.0400 4.531000 4.079000 
1 1 1   81    4   17 o   6.7750   2.0070 0.2625000 4.014000 
1 1 1   81    4   18 o   11.400   1.9870 0.1171000 3.973000 
1 1 1   81    4   19 o   11.550   1.9090 1.481000 3.818000 
1 1 1   81    4   20 o   7.3150   1.8360 4.411000 3.671000 
1 1 1   81    4   21 o   5.5810   1.7390 1.610000 3.479000 
1 1 1   81    4   22 o   5.8260   1.7890 0.9982000 3.577000 
1 1 1   81    5    0 o   30.000   1.3830 -0.000000 0.000000 
1 1 1   81    5    1 o   18.800   1.4540 0.5583000 2.909000 
1 1 1   81    5    2 o   17.670   1.5450 -0.1274000 3.090000 
1 1 1   81    5    3 o   23.760   1.1640 0.5408000 2.327000 
1 1 1   81    5    4 o   9.5750   2.1430 4.829000 4.286000 
1 1 1   81    5    5 o   9.0390   2.2770 -0.6953000E-02 4.554000 
1 1 1   81    5    6 o   13.870   2.0150 0.6274000 4.030000 
1 1 1   81    5    7 o   15.970   1.7120 4.053000 3.423000 
1 1 1   81    5    8 o   13.480   2.0440 3.731000 4.088000 
1 1 1   81    5    9 o   15.810   1.7800 -3.140000 3.559000 
1 1 1   81    5   10 o   39.880   0.8524 1.333000 1.705000 
1 1 1   81    5   11 o   15.260   1.8630 -1.076000 3.726000 
1 1 1   81    5   12 o   17.090   1.7000 -4.978000 3.400000 
1 1 1   81    5   13 o   22.920   1.3240 0.1856000 2.648000 
1 1 1   81    5   14 o   12.980   2.2250 0.1733000E-01 4.450000 
1 1 1   81    5   15 o   24.810   1.1780 -0.1233000E-01 2.355000 
1 1 1   81    5   16 o   15.190   1.8860 -2.230000 3.772000 
1 1 1   81    5   17 o   9.6200   2.3110 -2.299000 4.623000 
1 1 1   81    5   18 o   10.960   2.2810 1.353000 4.561000 
1 1 1   81    5   19 o   19.900   1.2840 0.7366000 2.567000 
1 1 1   81    5   20 o   7.1420   2.0640 -1.729000 4.129000 
1 1 1   81    5   21 o   5.4590   1.7710 -0.7619000 3.541000 
1 1 1   81    5   22 o   7.7130   2.0340 1.862000 4.068000 
1 1 1   81    6    0 o   16.550   2.3090 -0.000000 0.000000 
1 1 1   81    6    1 o   42.870   0.8019 0.4172000 1.604000 
1 1 1   81    6    2 o   17.150   1.5720 -0.5877000 3.143000 
1 1 1   81    6    3 o   18.900   1.5190 4.766000 3.038000 
1 1 1   81    6    4 o   23.660   1.1680 1.845000 2.335000 
1 1 1   81    6    5 o   10.700   2.0470 7.486000 4.094000 
1 1 1   81    6    6 o   16.490   1.8040 7.123000 3.609000 
1 1 1   81    6    7 f   11.480   2.2400 2.307000 4.480000 
1 1 1   81    6    8 o   13.170   2.1160 -0.6617000 4.233000 
1 1 1   81    6    9 f   19.960   1.4500 -3.188000 2.899000 
1 1 1   81    6   10 o   19.510   1.5290 2.374000 3.057000 
1 1 1   81    6   11 o   11.640   2.1750 5.688000 4.351000 
1 1 1   81    6   12 f   14.960   1.9820 -1.057000 3.964000 
1 1 1   81    6   13 o   12.350   1.9590 10.61000 3.919000 
1 1 1   81    6   14 o   11.590   1.8600 -11.74000 3.720000 
1 1 1   81    6   15 o   21.070   1.4400 3.663000 2.880000 
1 1 1   81    6   16 o   10.660   2.2120 -5.649000 4.425000 
1 1 1   81    6   17 o   8.1780   2.3040 0.3501000 4.607000 
1 1 1   81    6   18 o   10.890   2.1470 5.336000 4.294000 
1 1 1   81    6   19 o   10.680   2.2130 -4.136000 4.426000 
1 1 1   81    6   20 o   7.1240   2.1080 -0.5960000 4.215000 
1 1 1   81    6   21 o   8.6450   2.1440 3.426000 4.289000 
1 1 1   81    7    0 o   9.5360   3.3480 -0.000000 0.000000 
1 1 1   81    7    1 o   25.800   1.1410 -2.484000 2.282000 
1 1 1   81    7    2 o   32.560   0.9334 0.1833000 1.867000 
1 1 1   81    7    3 o   32.700   0.9741 -0.4487000 1.948000 
1 1 1   81    7    4 o   14.550   1.9850 4.516000 3.970000 
1 1 1   81    7    5 o   29.070   1.0190 -0.3705000 2.037000 
1 1 1   81    7    6 o   19.610   1.5030 1.149000 3.005000 
1 1 1   81    7    7 o   23.540   1.2740 4.996000 2.548000 
1 1 1   81    7    8 o   8.5030   2.3110 1.542000 4.621000 
1 1 1   81    7    9 o   16.830   1.8040 -3.970000 3.607000 
1 1 1   81    7   10 o   8.0310   2.2760 -2.009000 4.552000 
1 1 1   81    7   11 o   15.370   1.9580 0.7405000 3.916000 
1 1 1   81    7   12 o   11.150   2.3440 2.728000 4.687000 
1 1 1   81    7   13 o   11.300   2.4210 -0.5302000 4.842000 
1 1 1   81    7   14 o   32.510   1.0160 -1.163000 2.033000 
1 1 1   81    7   15 o   7.3740   2.2190 0.9390000 4.438000 
1 1 1   81    7   16 o   9.1800   2.3730 1.485000 4.746000 
1 1 1   81    7   17 o   10.190   2.2800 3.624000 4.560000 
1 1 1   81    7   18 o   9.7830   2.2890 2.548000 4.578000 
1 1 1   81    7   19 o   16.380   1.6530 -1.112000 3.307000 
1 1 1   81    7   20 o   12.260   2.1470 -0.1103000 4.295000 
1 1 1   81    7   21 o   6.6360   2.0380 1.524000 4.075000 
1 1 1   81    8    0 o   13.570   2.9530 -0.000000 0.000000 
1 1 1   81    8    1 f   8.2360   2.2270 -3.198000 4.454000 
1 1 1   81    8    2 o   15.570   1.9450 1.442000 3.890000 
1 1 1   81    8    3 o   26.630   1.1170 -1.894000 2.235000 
1 1 1   81    8    4 o   26.680   1.1290 0.9220000 2.258000 
1 1 1   81    8    5 o   30.680   1.0060 1.949000 2.012000 
1 1 1   81    8    6 o   23.110   1.3080 1.322000 2.616000 
1 1 1   81    8    7 o   10.110   2.1070 -6.701000 4.214000 
1 1 1   81    8    8 o   6.8250   2.1310 -0.3640000E-01 4.262000 
1 1 1   81    8    9 f   10.020   2.1190 7.132000 4.239000 
1 1 1   81    8   10 o   12.680   2.2820 1.415000 4.564000 
1 1 1   81    8   11 o   14.440   2.1120 0.5536000 4.225000 
1 1 1   81    8   12 o   8.5590   2.2490 3.350000 4.498000 
1 1 1   81    8   13 o   29.490   1.0480 -1.675000 2.096000 
1 1 1   81    8   14 o   9.5190   2.1360 6.734000 4.272000 
1 1 1   81    8   15 o   25.090   1.2020 -0.5950000 2.403000 
1 1 1   81    8   16 o   14.580   2.0220 4.391000 4.044000 
1 1 1   81    8   17 o   8.1690   2.2530 2.664000 4.507000 
1 1 1   81    8   18 o   9.7730   2.2760 2.231000 4.552000 
1 1 1   81    8   19 o   8.5140   2.2500 1.530000 4.500000 
1 1 1   81    8   20 o   9.9380   2.2150 -4.010000 4.429000 
1 1 1   81    9    0 o   26.170   1.6380 -0.000000 0.000000 
1 1 1   81    9    1 o   13.770   2.0890 -5.118000 4.177000 
1 1 1   81    9    2 o   33.730   0.9625 -1.660000 1.925000 
1 1 1   81    9    3 o   24.300   1.2540 -0.5931000 2.509000 
1 1 1   81    9    4 o   22.950   1.3260 -0.8364000 2.651000 
1 1 1   81    9    5 o   28.270   1.0900 -1.633000 2.179000 
1 1 1   81    9    6 o   13.080   2.2060 0.7952000 4.411000 
1 1 1   81    9    7 o   13.830   2.1310 4.178000 4.262000 
1 1 1   81    9    8 f   18.000   1.6580 -1.190000 3.316000 
1 1 1   81    9    9 o   8.3500   2.3010 2.283000 4.601000 
1 1 1   81    9   10 o   14.780   1.9940 4.099000 3.988000 
1 1 1   81    9   11 o   18.830   1.5780 -2.943000 3.156000 
1 1 1   81    9   12 o   13.600   2.1110 3.743000 4.222000 
1 1 1   81    9   13 o   8.8960   2.3470 2.383000 4.695000 
1 1 1   81    9   14 o   15.500   1.9620 -2.196000 3.924000 
1 1 1   81    9   15 o   17.210   1.7680 -0.4552000 3.537000 
1 1 1   81    9   16 o   9.5370   2.3600 1.350000 4.720000 
1 1 1   81    9   17 o   9.2460   2.2940 -2.483000 4.589000 
1 1 1   81    9   18 o   7.1930   2.1480 0.6908000 4.297000 
1 1 1   81    9   19 o   7.5710   2.1940 -1.673000 4.388000 
1 1 1   81   10    0 o   9.5700   3.4370 -0.000000 0.000000 
1 1 1   81   10    1 o   13.400   2.2070 2.100000 4.413000 
1 1 1   81   10    2 o   8.6610   2.3740 0.6515000E-02 4.747000 
1 1 1   81   10    3 o   9.5840   2.2100 6.582000 4.421000 
1 1 1   81   10    4 o   7.4380   2.2130 -2.450000 4.427000 
1 1 1   81   10    5 o   11.490   1.9010 10.82000 3.802000 
1 1 1   81   10    6 o   21.390   1.4070 -0.4146000 2.813000 
1 1 1   81   10    7 o   10.920   2.4090 -0.6061000 4.818000 
1 1 1   81   10    8 o   12.280   3.2600      ?      ? 
1 1 1   81   10    9 o   7.0110   2.1710 0.9799000 4.343000 
1 1 1   81   10   10 o   17.960   1.7200 4.857000 3.441000 
1 1 1   81   10   11 o   16.010   1.9630 -3.160000 3.927000 
1 1 1   81   10   12 o   7.1330   2.1320 -3.433000 4.264000 
1 1 1   81   10   13 o   12.520   2.2800 -2.910000 4.560000 
1 1 1   81   10   14 o   9.3300   2.4150 -0.5687000E-01 4.830000 
1 1 1   81   10   15 o   9.6440   2.4030 -1.110000 4.805000 
1 1 1   81   10   16 o   6.8290   2.0760 -3.350000 4.151000 
1 1 1   81   10   17 o   11.040   2.2220 4.564000 4.444000 
1 1 1   81   10   18 o   14.300   1.9980 6.362000 3.996000 
1 1 1   81   11    0 o   9.0940   3.4740 -0.000000 0.000000 
1 1 1   81   11    1 f   8.5570   2.2750 4.156000 4.550000 
1 1 1   81   11    2 o   8.6150   2.4080 -0.3308000 4.816000 
1 1 1   81   11    3 o   13.040   2.1300 8.616000 4.259000 
1 1 1   81   11    4 o   8.1680   2.3420 -2.051000 4.684000 
1 1 1   81   11    5 o   20.420   1.5590 4.191000 3.118000 
1 1 1   81   11    6 o   13.110   2.0040 10.13000 4.007000 
1 1 1   81   11    7 o   19.930   1.4910 1.281000 2.982000 
1 1 1   81   11    8 o   24.960   1.2150 1.721000 2.431000 
1 1 1   81   11    9 o   8.4980   2.3510 0.9781000E-01 4.702000 
1 1 1   81   11   10 o   12.490   2.3650 0.3568000E-01 4.731000 
1 1 1   81   11   11 o   11.800   2.3240 -4.868000 4.647000 
1 1 1   81   11   12 o   9.6110   2.3670 -2.585000 4.735000 
1 1 1   81   11   13 f   8.5000   2.3090 2.722000 4.618000 
1 1 1   81   11   14 o   6.5300   2.0600 -0.7537000 4.119000 
1 1 1   81   11   15 o   8.7390   2.2160 -4.575000 4.432000 
1 1 1   81   11   16 o   13.730   2.1130 -0.2959000 4.226000 
1 1 1   81   11   17 o   8.2860   2.2620 1.853000 4.524000 
1 1 1   81   12    0 o   7.9340   3.3070 -0.000000 0.000000 
1 1 1   81   12    1 o   7.9290   2.2940 -0.8070000 4.588000 
1 1 1   81   12    2 o   27.750   1.1890 4.705000 2.379000 
1 1 1   81   12    3 o   10.350   2.4590 -1.443000 4.918000 
1 1 1   81   12    4 o   25.010   1.2560 0.2121000 2.512000 
1 1 1   81   12    5 o   11.830   2.4170 1.297000 4.835000 
1 1 1   81   12    6 o   6.1650   1.9930 -2.317000 3.986000 
1 1 1   81   12    7 o   9.7830   2.2460 5.545000 4.492000 
1 1 1   81   12    8 o   6.2520   2.0390 0.6285000 4.078000 
1 1 1   81   12    9 o   10.710   2.3070 -4.679000 4.614000 
1 1 1   81   12   10 o   8.9580   2.3840 -1.715000 4.767000 
1 1 1   81   12   11 o   9.4320   2.3530 -3.039000 4.706000 
1 1 1   81   12   12 o   7.8420   2.2690 0.6884000E-01 4.537000 
1 1 1   81   12   13 o   8.6140   2.2260 -4.353000 4.452000 
1 1 1   81   12   14 o   6.9720   2.1400 1.232000 4.279000 
1 1 1   81   12   15 o   12.430   2.2380 -2.050000 4.477000 
1 1 1   81   13    0 o   9.0270   3.4840 -0.000000 0.000000 
1 1 1   81   13    1 f   6.7680   2.1590 -1.385000 4.318000 
1 1 1   81   13    2 o   12.330   2.3550 0.8877000 4.710000 
1 1 1   81   13    3 o   10.640   2.3570 -5.595000 4.715000 
1 1 1   81   13    4 o   10.720   2.4190 -4.615000 4.838000 
1 1 1   81   13    5 f   19.180   1.6350 2.198000 3.270000 
1 1 1   81   13    6 o   16.630   1.9390 5.770000 3.878000 
1 1 1   81   13    7 o   14.020   2.2600 -1.679000 4.520000 
1 1 1   81   13    8 o   7.8390   2.3240 -0.7364000 4.648000 
1 1 1   81   13    9 o   6.8170   2.1590 -0.9723000 4.318000 
1 1 1   81   13   10 o   9.8580   2.4190 2.609000 4.838000 
1 1 1   81   13   11 o   14.090   2.1430 4.770000 4.286000 
1 1 1   81   13   12 o   10.630   2.3690 2.294000 4.738000 
1 1 1   81   13   13 f   6.7920   2.1270 0.2364000 4.253000 
1 1 1   81   13   14 o   6.2140   2.0050 2.580000 4.011000 
1 1 1   81   14    0 o   15.310   3.2050 -0.000000 0.000000 
1 1 1   81   14    1 o   11.200   2.1460 -8.993000 4.293000 
1 1 1   81   14    2 o   6.4170   2.0690 -2.071000 4.138000 
1 1 1   81   14    3 o   12.150   2.3530 -5.680000 4.707000 
1 1 1   81   14    4 o   7.7640   2.3170 -1.171000 4.633000 
1 1 1   81   14    5 o   13.110   2.3220 -0.3583000 4.644000 
1 1 1   81   14    6 o   7.8150   2.2750 -1.541000 4.551000 
1 1 1   81   14    7 o   6.7340   2.1330 -0.2624000 4.266000 
1 1 1   81   14    8 o   8.0540   2.2970 1.988000 4.594000 
1 1 1   81   14    9 o   6.8950   2.1590 -0.4372000E-01 4.318000 
1 1 1   81   14   10 o   10.390   2.3520 4.828000 4.705000 
1 1 1   81   14   11 o   10.690   2.4040 -2.990000 4.807000 
1 1 1   81   14   12 o   9.9430   2.5420 1.071000 5.084000 
1 1 1   81   15    0 o   12.990   3.3800 -0.000000 0.000000 
1 1 1   81   15    1 o   15.890   1.9480 1.779000 3.896000 
1 1 1   81   15    2 o   11.880   2.4370 0.4233000 4.874000 
1 1 1   81   15    3 o   10.590   2.4170 -2.058000 4.835000 
1 1 1   81   15    4 o   7.6380   2.2640 1.094000 4.528000 
1 1 1   81   15    5 o   8.2550   2.3200 -1.188000 4.639000 
1 1 1   81   15    6 o   10.440   2.3920 -2.628000 4.784000 
1 1 1   81   15    7 o   8.9530   2.3650 2.204000 4.731000 
1 1 1   81   15    8 o   6.5920   2.1040 1.135000 4.207000 
1 1 1   81   15    9 o   10.270   2.4940 2.956000 4.989000 
1 1 1   81   16    0 o   11.180   3.4920 -0.000000 0.000000 
1 1 1   81   16    1 o   7.2420   2.2100 0.2755000 4.420000 
1 1 1   81   16    2 f   7.1150   2.2030 -0.4266000 4.406000 
1 1 1   81   16    3 o   10.220   1.9850 -9.058000 3.971000 
1 1 1   81   16    4 o   8.2590   2.3630 0.7573000 4.725000 
1 1 1   82    0    0 o   16.720   3.5660 -0.000000 0.000000 
1 1 1   82    0    1 o   11.110   3.3500 -0.000000 0.000000 
1 1 1   82    0    2 o   5.8330   2.7360 -0.000000 0.000000 
1 1 1   82    0    3 o   7.3160   3.1330 -0.000000 0.000000 
1 1 1   82    0    4 o   7.4920   3.1970 -0.000000 0.000000 
1 1 1   82    0    5 o   13.570   3.1320 -0.000000 0.000000 
1 1 1   82    0    6 o   23.040   1.9040 -0.000000 0.000000 
1 1 1   82    0    7 o   19.990   2.2590 -0.000000 0.000000 
1 1 1   82    0    8 o   9.5890   3.5010 -0.000000 0.000000 
1 1 1   82    0    9 o   8.1560   3.3520 -0.000000 0.000000 
1 1 1   82    0   10 o   10.010   3.4980 -0.000000 0.000000 
1 1 1   82    0   11 o   10.040   3.5330 -0.000000 0.000000 
1 1 1   82    0   12 o   12.360   3.5020 -0.000000 0.000000 
1 1 1   82    0   13 o   9.8730   3.5810 -0.000000 0.000000 
1 1 1   82    0   14 o   6.4190   2.9610 -0.000000 0.000000 
1 1 1   82    0   15 o   6.8670   3.0690 -0.000000 0.000000 
1 1 1   82    0   16 o   21.670   2.0170 -0.000000 0.000000 
1 1 1   82    0   17 o   13.220   3.2850 -0.000000 0.000000 
1 1 1   82    0   18 o   21.230   2.1120 -0.000000 0.000000 
1 1 1   82    0   19 o   23.180   1.8090 -0.000000 0.000000 
1 1 1   82    0   20 o   9.3180   3.2250 -0.000000 0.000000 
1 1 1   82    0   21 o   5.2130   2.4610 -0.000000 0.000000 
1 1 1   82    0   22 o   8.8280   3.1170 -0.000000 0.000000 
1 1 1   82    0   23 o   9.3630   3.2170 -0.000000 0.000000 
1 1 1   82    1    0 o   6.6040   2.9610 -0.000000 0.000000 
1 1 1   82    1    1 o   7.1640   2.2030 0.6138000 4.406000 
1 1 1   82    1    2 o   24.390   1.7220      ?      ? 
1 1 1   82    1    3 o   9.3100   2.3960 -2.188000 4.792000 
1 1 1   82    1    4 o   6.2840   2.0410 -0.4913000 4.082000 
1 1 1   82    1    5 o   40.340   0.9053 1.756000 1.811000 
1 1 1   82    1    6 o   35.520   0.9251 0.8551000 1.850000 
1 1 1   82    1    7 o   35.090   0.9763 1.725000 1.953000 
1 1 1   82    1    8 f   9.0790   2.4200 -1.723000 4.840000 
1 1 1   82    1    9 o   23.120   1.3870 -2.036000 2.775000 
1 1 1   82    1   10 o   13.850   2.2570 3.862000 4.513000 
1 1 1   82    1   11 o   18.650   1.7240 -0.4081000 3.447000 
1 1 1   82    1   12 o   11.700   2.3100 6.577000 4.620000 
1 1 1   82    1   13 o   19.900   1.6380 -0.6035000 3.277000 
1 1 1   82    1   14 o   16.410   2.0150 -2.894000 4.030000 
1 1 1   82    1   15 o   14.500   2.1620 5.907000 4.324000 
1 1 1   82    1   16 o   9.7770   2.4790 -0.8897000 4.957000 
1 1 1   82    1   17 o   18.880   1.7450 6.370000 3.490000 
1 1 1   82    1   18 o   14.000   2.2060 -1.651000 4.411000 
1 1 1   82    1   19 o   8.4590   2.3270 1.514000 4.653000 
1 1 1   82    1   20 o   13.740   2.0030 -4.695000 4.006000 
1 1 1   82    1   21 o   10.910   2.1510 2.790000 4.302000 
1 1 1   82    1   22 o   7.9550   2.1720 2.258000 4.344000 
1 1 1   82    1   23 o   8.4880   2.2840 -2.038000 4.568000 
1 1 1   82    2    0 o   38.330   0.9592 -0.000000 0.000000 
1 1 1   82    2    1 o   29.500   0.8033 -2.156000 1.607000 
1 1 1   82    2    2 o   14.040   1.5840 -0.6118000 3.167000 
1 1 1   82    2    3 f   6.3880   1.9100 -0.3527000 3.819000 
1 1 1   82    2    4 o   21.980   1.0030 -1.229000 2.006000 
1 1 1   82    2    5 f   24.480   0.9204 -3.101000 1.841000 
1 1 1   82    2    6 o   27.990   0.8299 1.786000 1.660000 
1 1 1   82    2    7 o   9.4340   2.0710 0.3166000 4.142000 
1 1 1   82    2    8 o   5.9950   1.8570 1.613000 3.715000 
1 1 1   82    2    9 o   20.280   1.1470 -0.7477000 2.294000 
1 1 1   82    2   10 o   33.350   0.7600 -0.2715000 1.520000 
1 1 1   82    2   11 o   13.970   1.9950 -2.030000 3.990000 
1 1 1   82    2   12 o   10.890   2.2840 -0.4496000E-01 4.567000 
1 1 1   82    2   13 o   10.740   2.2320 -6.052000 4.464000 
1 1 1   82    2   14 o   15.360   1.8920 3.805000 3.783000 
1 1 1   82    2   15 o   9.4130   2.2360 1.456000 4.472000 
1 1 1   82    2   16 o   11.280   2.1910 -3.367000 4.383000 
1 1 1   82    2   17 o   16.610   1.6200 -7.844000 3.239000 
1 1 1   82    2   18 f   10.550   2.3390 -4.063000 4.678000 
1 1 1   82    2   19 o   10.390   2.4190 -1.448000 4.837000 
1 1 1   82    2   20 o   12.060   2.1210 -6.152000 4.243000 
1 1 1   82    2   21 o   8.4180   2.2400 -0.9201000 4.480000 
1 1 1   82    2   22 o   16.230   1.6310 1.891000 3.262000 
1 1 1   82    3    0 o   21.190   1.4930 -0.000000 0.000000 
1 1 1   82    3    1 o   29.820   0.7860 3.014000 1.572000 
1 1 1   82    3    2 o   7.2180   2.0230 0.5333000E-01 4.045000 
1 1 1   82    3    3 o   12.590   1.7870 -3.606000 3.575000 
1 1 1   82    3    4 o   5.7390   1.8040 -0.1606000 3.608000 
1 1 1   82    3    5 o   53.110   0.6391 -0.8337000 1.278000 
1 1 1   82    3    6 o   26.630   0.8531 -0.5030000E-01 1.706000 
1 1 1   82    3    7 o   24.110   0.9754 4.287000 1.951000 
1 1 1   82    3    8 o   25.330   0.9450 1.060000 1.890000 
1 1 1   82    3    9 o   19.440   1.3070 2.928000 2.615000 
1 1 1   82    3   10 o   20.720   1.1480 -4.499000 2.295000 
1 1 1   82    3   11 o   9.8540   2.1220 0.6208000 4.244000 
1 1 1   82    3   12 o   21.420   1.1400 -0.2275000E-01 2.280000 
1 1 1   82    3   13 o   20.490   1.2170 4.176000 2.435000 
1 1 1   82    3   14 o   10.390   2.1350 -2.023000 4.270000 
1 1 1   82    3   15 o   21.010   1.1770 0.7205000 2.354000 
1 1 1   82    3   16 o   7.0320   2.0440 0.7483000 4.087000 
1 1 1   82    3   17 f   7.8540   2.0850 -2.141000 4.169000 
1 1 1   82    3   18 o   6.6780   1.9660 -1.967000 3.933000 
1 1 1   82    3   19 o   8.0510   2.0630 -0.1210000 4.125000 
1 1 1   82    3   20 o   9.8320   2.1480 -0.6588000E-01 4.295000 
1 1 1   82    3   21 o   6.9600   2.0030 -0.7564000 4.006000 
1 1 1   82    3   22 o   8.5400   2.0770 -2.749000 4.154000 
1 1 1   82    4    0 o   6.1810   2.7840 -0.000000 0.000000 
1 1 1   82    4    1 o   12.140   3.0500      ?      ? 
1 1 1   82    4    2 o   7.5930   2.1620 0.5630000 4.323000 
1 1 1   82    4    3 o   15.570   1.7260 -1.484000 3.452000 
1 1 1   82    4    4 o   23.820   1.1350 -5.551000 2.270000 
1 1 1   82    4    5 o   19.820   1.4100 -5.455000 2.819000 
1 1 1   82    4    6 o   6.5360   2.0280 0.9335000 4.057000 
1 1 1   82    4    7 o   21.040   1.3030 -1.812000 2.605000 
1 1 1   82    4    8 o   9.3290   2.3190 -0.3950000 4.639000 
1 1 1   82    4    9 o   38.250   0.8423 -3.290000 1.685000 
1 1 1   82    4   10 o   17.830   1.5560 3.424000 3.113000 
1 1 1   82    4   11 o   13.440   2.0590 5.136000 4.119000 
1 1 1   82    4   12 o   9.9980   2.2810 0.2672000E-01 4.561000 
1 1 1   82    4   13 o   23.240   1.1890 1.533000 2.378000 
1 1 1   82    4   14 f   16.210   1.7730 1.790000 3.546000 
1 1 1   82    4   15 o   11.920   2.0910 -5.592000 4.183000 
1 1 1   82    4   16 o   9.0920   2.1490 1.471000 4.298000 
1 1 1   82    4   17 o   17.700   1.3790 5.764000 2.758000 
1 1 1   82    4   18 o   10.570   2.0050 2.783000 4.010000 
1 1 1   82    4   19 o   15.430   1.4900 -0.3270000 2.979000 
1 1 1   82    4   20 o   11.390   1.8210 -3.957000 3.643000 
1 1 1   82    4   21 o   5.6870   1.7700 -1.379000 3.539000 
1 1 1   82    4   22 o   13.040   1.7040 8.413000 3.407000 
1 1 1   82    5    0 o   18.270   2.1570 -0.000000 0.000000 
1 1 1   82    5    1 o   20.320   1.3720 -3.172000 2.743000 
1 1 1   82    5    2 o   22.600   1.2180 1.137000 2.437000 
1 1 1   82    5    3 o   10.810   2.2840 1.565000 4.568000 
1 1 1   82    5    4 o   9.4320   2.2980 0.5614000 4.596000 
1 1 1   82    5    5 o   27.710   1.0690 1.565000 2.138000 
1 1 1   82    5    6 o   27.420   1.0560 -1.523000 2.112000 
1 1 1   82    5    7 o   16.280   1.6860 1.526000 3.371000 
1 1 1   82    5    8 o   10.600   2.1940 5.072000 4.388000 
1 1 1   82    5    9 o   15.090   1.8860 1.014000 3.772000 
1 1 1   82    5   10 o   35.070   0.9064 -1.484000 1.813000 
1 1 1   82    5   11 o   23.010   1.2690 -2.108000 2.538000 
1 1 1   82    5   12 o   10.810   2.4050 0.4376000 4.809000 
1 1 1   82    5   13 o   7.8400   2.2710 -1.831000 4.542000 
1 1 1   82    5   14 o   7.1770   2.1840 0.8952000 4.367000 
1 1 1   82    5   15 o   8.7410   2.2100 -4.861000 4.420000 
1 1 1   82    5   16 o   11.420   2.3280 -1.346000 4.655000 
1 1 1   82    5   17 o   12.100   2.1820 -3.339000 4.364000 
1 1 1   82    5   18 o   9.4770   2.1560 -5.683000 4.313000 
1 1 1   82    5   19 o   15.180   1.6780 2.615000 3.355000 
1 1 1   82    5   20 o   12.060   1.9430 -0.3676000 3.887000 
1 1 1   82    5   21 o   12.200   1.9190 -2.073000 3.838000 
1 1 1   82    6    0 o   6.6470   2.9490 -0.000000 0.000000 
1 1 1   82    6    1 o   43.040   0.8290 0.4021000 1.658000 
1 1 1   82    6    2 o   23.020   1.2580 -1.957000 2.516000 
1 1 1   82    6    3 o   9.8050   2.3410 -1.874000 4.681000 
1 1 1   82    6    4 o   9.3430   2.2210 3.669000 4.443000 
1 1 1   82    6    5 o   16.650   1.7480 0.1903000 3.495000 
1 1 1   82    6    6 o   18.570   2.2210      ?      ? 
1 1 1   82    6    7 o   22.350   1.2730 -2.095000 2.547000 
1 1 1   82    6    8 o   20.220   1.4710 -2.317000 2.942000 
1 1 1   82    6    9 o   27.210   1.0990 -4.666000 2.198000 
1 1 1   82    6   10 o   11.340   1.9770 -8.953000 3.955000 
1 1 1   82    6   11 o   32.510   0.9742 -0.2783000 1.948000 
1 1 1   82    6   12 o   6.7490   2.0810 -2.786000 4.162000 
1 1 1   82    6   13 o   11.280   2.3520 2.102000 4.704000 
1 1 1   82    6   14 o   7.6080   3.2060      ?      ? 
1 1 1   82    6   15 o   20.020   1.5410 2.362000 3.082000 
1 1 1   82    6   16 o   7.8860   2.2260 2.373000 4.452000 
1 1 1   82    6   17 o   8.8710   2.3210 -1.068000 4.642000 
1 1 1   82    6   18 o   13.080   2.1370 1.036000 4.273000 
1 1 1   82    6   19 o   11.800   2.2090 -0.8002000 4.417000 
1 1 1   82    6   20 o   7.4060   2.0990 -2.272000 4.197000 
1 1 1   82    6   21 o   6.9110   2.0530 1.182000 4.106000 
1 1 1   82    7    0 o   27.140   1.5600 -0.000000 0.000000 
1 1 1   82    7    1 o   19.940   1.5380 5.510000 3.075000 
1 1 1   82    7    2 o   19.180   1.5550 -1.244000 3.109000 
1 1 1   82    7    3 o   23.840   1.2100 0.4072000 2.421000 
1 1 1   82    7    4 o   16.020   1.8530 3.511000 3.706000 
1 1 1   82    7    5 o   14.740   2.0110 -5.160000 4.021000 
1 1 1   82    7    6 o   11.290   2.2900 -2.325000 4.580000 
1 1 1   82    7    7 o   9.7630   2.3310 -3.083000 4.662000 
1 1 1   82    7    8 o   24.760   1.1980 -2.152000 2.397000 
1 1 1   82    7    9 o   6.0000   1.9650 0.7022000 3.930000 
1 1 1   82    7   10 o   8.1030   2.2250 -4.048000 4.450000 
1 1 1   82    7   11 o   6.9870   2.1690 -1.056000 4.337000 
1 1 1   82    7   12 o   10.260   2.3420 -1.578000 4.684000 
1 1 1   82    7   13 o   29.110   1.0620 0.7561000 2.124000 
1 1 1   82    7   14 o   16.850   1.8360 1.219000 3.672000 
1 1 1   82    7   15 o   12.100   2.3090 0.9349000 4.617000 
1 1 1   82    7   16 o   10.550   2.3000 -3.466000 4.600000 
1 1 1   82    7   17 o   8.8580   2.3060 -2.901000 4.612000 
1 1 1   82    7   18 o   12.820   2.1170 2.368000 4.234000 
1 1 1   82    7   19 o   14.330   1.9610 0.6899000 3.921000 
1 1 1   82    7   20 o   9.4570   2.2770 -1.997000 4.555000 
1 1 1   82    8    0 o   8.1800   3.3020 -0.000000 0.000000 
1 1 1   82    8    1 o   29.700   1.0710 -3.136000 2.142000 
1 1 1   82    8    2 o   11.410   2.3390 2.316000 4.678000 
1 1 1   82    8    3 o   15.090   2.0130 -2.151000 4.027000 
1 1 1   82    8    4 o   19.420   1.5170 1.164000 3.034000 
1 1 1   82    8    5 o   9.5610   2.3990 -1.880000 4.797000 
1 1 1   82    8    6 o   19.560   1.5360 2.508000 3.073000 
1 1 1   82    8    7 o   7.3750   2.2220 -0.1295000 4.443000 
1 1 1   82    8    8 f   29.000   1.0690 0.1156000 2.138000 
1 1 1   82    8    9 o   12.380   2.0240 9.321000 4.048000 
1 1 1   82    8   10 o   20.780   1.4250 -0.1352000E-01 2.850000 
1 1 1   82    8   11 o   9.7040   2.3740 -2.565000 4.747000 
1 1 1   82    8   12 o   8.7630   2.2540 -4.248000 4.507000 
1 1 1   82    8   13 o   20.260   1.5110 -3.745000 3.023000 
1 1 1   82    8   14 o   12.300   2.2960 -2.698000 4.592000 
1 1 1   82    8   15 o   8.5600   2.3560 1.623000 4.711000 
1 1 1   82    8   16 o   11.400   2.3620 0.8146000 4.723000 
1 1 1   82    8   17 o   18.570   1.5140 -2.013000 3.027000 
1 1 1   82    8   18 o   16.040   1.7290 -0.9260000 3.458000 
1 1 1   82    8   19 o   5.8290   1.9090 0.7082000 3.818000 
1 1 1   82    8   20 o   10.970   2.4660 4.984000 4.933000 
1 1 1   82    9    0 o   18.480   2.3260 -0.000000 0.000000 
1 1 1   82    9    1 o   6.3350   2.0410 0.8302000 4.082000 
1 1 1   82    9    2 o   20.170   1.5070 -0.3308000 3.014000 
1 1 1   82    9    3 o   25.860   1.1910 1.589000 2.382000 
1 1 1   82    9    4 o   17.720   1.6860 0.1416000 3.371000 
1 1 1   82    9    5 o   11.730   2.3050 1.024000 4.611000 
1 1 1   82    9    6 o   9.7260   2.2300 5.549000 4.461000 
1 1 1   82    9    7 o   10.350   2.3750 -2.295000 4.751000 
1 1 1   82    9    8 o   12.070   2.2980 1.399000 4.596000 
1 1 1   82    9    9 o   20.450   1.5400 -4.542000 3.081000 
1 1 1   82    9   10 o   13.820   3.0820      ?      ? 
1 1 1   82    9   11 o   17.320   1.8230 6.470000 3.645000 
1 1 1   82    9   12 o   14.010   2.0950 -6.725000 4.191000 
1 1 1   82    9   13 o   14.100   2.1150 1.155000 4.231000 
1 1 1   82    9   14 o   7.7670   2.2630 1.864000 4.525000 
1 1 1   82    9   15 o   7.1680   2.1900 -0.5751000 4.379000 
1 1 1   82    9   16 o   7.6310   3.1890      ?      ? 
1 1 1   82    9   17 o   12.880   2.0190 6.631000 4.038000 
1 1 1   82    9   18 o   16.920   1.6750 2.247000 3.350000 
1 1 1   82    9   19 o   9.9510   2.0850 6.673000 4.170000 
1 1 1   82   10    0 o   26.090   1.6990 -0.000000 0.000000 
1 1 1   82   10    1 o   28.350   1.0870 0.3526000 2.173000 
1 1 1   82   10    2 o   11.780   2.2410 -4.909000 4.481000 
1 1 1   82   10    3 o   19.600   1.5780 -0.5661000 3.156000 
1 1 1   82   10    4 o   20.330   1.5230 5.015000 3.045000 
1 1 1   82   10    5 o   13.270   2.2020 6.002000 4.404000 
1 1 1   82   10    6 o   31.140   1.0130 -0.9404000 2.027000 
1 1 1   82   10    7 o   10.840   2.3030 -3.549000 4.607000 
1 1 1   82   10    8 o   10.190   2.3980 1.435000 4.795000 
1 1 1   82   10    9 o   10.530   2.3830 3.140000 4.767000 
1 1 1   82   10   10 o   19.380   1.6050 2.561000 3.209000 
1 1 1   82   10   11 o   9.6080   2.2550 5.886000 4.510000 
1 1 1   82   10   12 o   16.520   1.9090 1.294000 3.819000 
1 1 1   82   10   13 o   10.480   2.3910 2.701000 4.781000 
1 1 1   82   10   14 o   13.940   2.1680 -1.074000 4.335000 
1 1 1   82   10   15 o   10.400   2.1540 6.613000 4.308000 
1 1 1   82   10   16 o   7.6410   2.2400 1.035000 4.481000 
1 1 1   82   10   17 o   6.7880   2.1040 -1.086000 4.208000 
1 1 1   82   10   18 o   8.6960   2.3380 -1.542000 4.677000 
1 1 1   82   11    0 o   10.290   3.5870 -0.000000 0.000000 
1 1 1   82   11    1 o   11.480   2.2800 -5.386000 4.559000 
1 1 1   82   11    2 o   10.960   2.4100 4.064000 4.820000 
1 1 1   82   11    3 o   15.590   2.0170 -0.5453000 4.035000 
1 1 1   82   11    4 o   9.0370   2.4320 -2.208000 4.863000 
1 1 1   82   11    5 o   22.080   1.4030 -0.3495000 2.805000 
1 1 1   82   11    6 o   8.3080   2.2770 -2.378000 4.553000 
1 1 1   82   11    7 o   7.6750   2.2530 1.879000 4.506000 
1 1 1   82   11    8 o   8.0240   2.3150 1.427000 4.631000 
1 1 1   82   11    9 o   8.1590   2.3050 2.687000 4.610000 
1 1 1   82   11   10 o   7.9990   2.3160 -1.630000 4.633000 
1 1 1   82   11   11 o   7.3800   2.2240 2.326000 4.449000 
1 1 1   82   11   12 o   10.370   2.2470 -6.192000 4.494000 
1 1 1   82   11   13 o   11.500   2.0410 -8.438000 4.082000 
1 1 1   82   11   14 o   9.9540   2.2730 4.938000 4.546000 
1 1 1   82   11   15 o   8.5750   2.2720 2.751000 4.545000 
1 1 1   82   11   16 o   14.450   2.0040 3.098000 4.008000 
1 1 1   82   12    0 o   15.690   2.9160 -0.000000 0.000000 
1 1 1   82   12    1 o   15.200   2.0620 -4.809000 4.125000 
1 1 1   82   12    2 o   9.0190   2.3690 -2.987000 4.737000 
1 1 1   82   12    3 o   9.3160   2.3940 -1.917000 4.789000 
1 1 1   82   12    4 o   6.7830   2.1340 -2.625000 4.268000 
1 1 1   82   12    5 o   6.4320   2.0760 0.6610000 4.153000 
1 1 1   82   12    6 o   13.730   2.1470 -3.556000 4.295000 
1 1 1   82   12    7 o   7.8460   2.2650 -2.193000 4.530000 
1 1 1   82   12    8 o   11.060   2.4450 2.431000 4.890000 
1 1 1   82   12    9 o   15.290   2.0970 1.756000 4.195000 
1 1 1   82   12   10 o   19.310   1.6370 -1.365000 3.274000 
1 1 1   82   12   11 o   13.520   2.1630 4.763000 4.325000 
1 1 1   82   12   12 f   8.3840   2.3390 -0.4845000 4.678000 
1 1 1   82   12   13 f   16.580   1.7720 0.6679000 3.543000 
1 1 1   82   12   14 o   13.410   2.1430 3.422000 4.286000 
1 1 1   82   12   15 o   10.730   2.3270 -2.726000 4.653000 
1 1 1   82   13    0 o   29.250   1.6450 -0.000000 0.000000 
1 1 1   82   13    1 o   11.790   2.4640 -1.020000 4.928000 
1 1 1   82   13    2 f   12.530   2.2970 -4.303000 4.593000 
1 1 1   82   13    3 o   8.5060   2.3720 -2.879000 4.744000 
1 1 1   82   13    4 o   7.9260   2.2970 -2.480000 4.593000 
1 1 1   82   13    5 o   11.160   2.4030 3.885000 4.806000 
1 1 1   82   13    6 o   7.3890   2.2490 0.1537000 4.499000 
1 1 1   82   13    7 o   8.6090   2.3840 1.673000 4.767000 
1 1 1   82   13    8 f   9.1750   2.4120 -1.838000 4.825000 
1 1 1   82   13    9 o   15.000   2.0890 2.828000 4.177000 
1 1 1   82   13   10 o   10.440   2.4230 2.208000 4.845000 
1 1 1   82   13   11 o   9.1550   2.3240 4.057000 4.649000 
1 1 1   82   13   12 o   13.190   2.1950 -5.338000 4.389000 
1 1 1   82   13   13 o   7.5160   2.2420 1.201000 4.484000 
1 1 1   82   14    0 o   8.1400   3.3300 -0.000000 0.000000 
1 1 1   82   14    1 o   8.8160   2.3970 2.354000 4.793000 
1 1 1   82   14    2 o   8.0560   2.2800 3.005000 4.560000 
1 1 1   82   14    3 o   17.680   1.8130 0.2831000 3.626000 
1 1 1   82   14    4 o   8.1180   2.2470 4.000000 4.494000 
1 1 1   82   14    5 o   10.880   2.4020 -0.9579000 4.803000 
1 1 1   82   14    6 f   10.870   2.0850 8.111000 4.169000 
1 1 1   82   14    7 o   7.9730   2.3120 -0.8920000 4.623000 
1 1 1   82   14    8 o   8.5190   2.3340 2.822000 4.669000 
1 1 1   82   14    9 o   12.550   2.3380 -0.3126000 4.677000 
1 1 1   82   14   10 o   9.3750   2.4240 1.431000 4.849000 
1 1 1   82   14   11 o   8.8080   2.4220 -0.7754000 4.845000 
1 1 1   82   15    0 o   9.6210   3.4970 -0.000000 0.000000 
1 1 1   82   15    1 o   16.310   1.8740 -0.1427000 3.748000 
1 1 1   82   15    2 f   7.7580   2.2330 -3.471000 4.466000 
1 1 1   82   15    3 o   9.4130   2.4110 1.275000 4.822000 
1 1 1   82   15    4 o   8.1540   2.3190 1.223000 4.637000 
1 1 1   82   15    5 o   7.7790   2.2830 -0.4792000 4.566000 
1 1 1   82   15    6 o   12.090   2.2450 5.032000 4.490000 
1 1 1   82   15    7 o   9.1210   2.2520 -4.985000 4.504000 
1 1 1   82   15    8 o   10.900   2.4660 4.606000 4.931000 
1 1 1   82   16    0 o   7.8380   3.3350 -0.000000 0.000000 
1 1 1   82   16    1 o   8.8080   2.7530 1.933000 5.506000 
1 1 1   83    0    1 o   15.010   2.9010 -0.000000 0.000000 
1 1 1   83    0    2 o   6.8020   3.0420 -0.000000 0.000000 
1 1 1   83    0    3 o   18.280   2.4720 -0.000000 0.000000 
1 1 1   83    0    4 o   44.920   1.2320 -0.000000 0.000000 
1 1 1   83    0    5 o   6.4460   2.9640 -0.000000 0.000000 
1 1 1   83    0    6 o   18.830   2.3090 -0.000000 0.000000 
1 1 1   83    0    7 o   42.030   1.2810 -0.000000 0.000000 
1 1 1   83    0    8 o   5.9230   2.8100 -0.000000 0.000000 
1 1 1   83    0    9 o   8.2370   3.3890 -0.000000 0.000000 
1 1 1   83    0   10 o   11.400   3.6140 -0.000000 0.000000 
1 1 1   83    0   11 f   12.900   3.4560 -0.000000 0.000000 
1 1 1   83    0   12 o   18.180   2.5680 -0.000000 0.000000 
1 1 1   83    0   13 o   17.260   2.7470 -0.000000 0.000000 
1 1 1   83    0   14 o   13.060   3.4640 -0.000000 0.000000 
1 1 1   83    0   15 o   8.6360   3.3810 -0.000000 0.000000 
1 1 1   83    0   16 o   15.000   3.0040 -0.000000 0.000000 
1 1 1   83    0   17 o   8.3530   3.3500 -0.000000 0.000000 
1 1 1   83    0   18 o   9.4470   3.4320 -0.000000 0.000000 
1 1 1   83    0   19 f   19.040   2.2820 -0.000000 0.000000 
1 1 1   83    0   20 o   16.900   2.3440 -0.000000 0.000000 
1 1 1   83    0   21 o   8.5460   3.1350 -0.000000 0.000000 
1 1 1   83    0   22 o   12.830   2.7370 -0.000000 0.000000 
1 1 1   83    1    0 o   12.640   3.2730 -0.000000 0.000000 
1 1 1   83    1    1 o   11.550   2.3960 0.2313000 4.793000 
1 1 1   83    1    2 o   11.940   2.3970 -2.507000 4.794000 
1 1 1   83    1    3 o   8.6070   2.3910 -1.837000 4.782000 
1 1 1   83    1    4 o   41.310   0.8893 1.895000 1.779000 
1 1 1   83    1    5 o   19.310   1.6610 -1.146000 3.321000 
1 1 1   83    1    6 o   21.350   1.4880 -0.4065000 2.976000 
1 1 1   83    1    7 o   21.720   1.4350 -1.842000 2.869000 
1 1 1   83    1    8 o   25.770   1.2780 -0.4905000 2.557000 
1 1 1   83    1    9 o   9.8870   2.4460 -3.299000 4.892000 
1 1 1   83    1   10 o   9.8990   2.4450 -2.914000 4.890000 
1 1 1   83    1   11 o   18.800   1.7850 4.657000 3.570000 
1 1 1   83    1   12 o   25.530   1.3160 -0.5827000 2.632000 
1 1 1   83    1   13 o   18.780   1.7970 -3.242000 3.594000 
1 1 1   83    1   14 o   13.410   2.3160 -0.7528000 4.631000 
1 1 1   83    1   15 o   8.8730   2.4220 -0.1935000 4.843000 
1 1 1   83    1   16 o   14.690   2.1190 -4.264000 4.238000 
1 1 1   83    1   17 o   12.500   2.1860 -6.298000 4.372000 
1 1 1   83    1   18 o   6.8220   2.1320 0.3128000 4.264000 
1 1 1   83    1   19 o   10.500   2.1660 7.271000 4.331000 
1 1 1   83    1   20 o   9.7840   2.1460 5.565000 4.292000 
1 1 1   83    1   21 o   7.2130   2.1200 -0.6843000 4.240000 
1 1 1   83    1   22 o   6.5340   1.9900 -1.745000 3.980000 
1 1 1   83    2    0 o   23.310   1.3610 -0.000000 0.000000 
1 1 1   83    2    1 o   27.670   0.8385 -0.5623000E-01 1.677000 
1 1 1   83    2    2 o   44.870   0.6471 1.073000 1.294000 
1 1 1   83    2    3 f   13.600   1.6590 -1.003000 3.319000 
1 1 1   83    2    4 o   40.630   0.6654 -0.9735000 1.331000 
1 1 1   83    2    5 o   10.660   2.0110 -1.176000 4.022000 
1 1 1   83    2    6 o   20.040   1.1270 1.014000 2.255000 
1 1 1   83    2    7 o   14.160   1.6420 0.6800000 3.284000 
1 1 1   83    2    8 o   26.200   0.8939 -1.587000 1.788000 
1 1 1   83    2    9 o   10.990   2.0700 0.6799000 4.139000 
1 1 1   83    2   10 f   16.960   1.4120 4.911000 2.824000 
1 1 1   83    2   11 o   34.600   0.8636 -3.075000 1.727000 
1 1 1   83    2   12 f   18.770   1.5210 -2.374000 3.042000 
1 1 1   83    2   13 o   19.430   1.5380 3.309000 3.076000 
1 1 1   83    2   14 o   8.9850   2.2630 -4.323000 4.526000 
1 1 1   83    2   15 o   19.590   1.4250 -0.2100000 2.851000 
1 1 1   83    2   16 o   10.200   2.2800 -0.9714000 4.561000 
1 1 1   83    2   17 o   8.5120   1.9970 5.050000 3.994000 
1 1 1   83    2   18 o   8.5340   2.3450 0.4823000 4.689000 
1 1 1   83    2   19 o   8.7830   2.2500 4.777000 4.501000 
1 1 1   83    2   20 o   7.5130   2.1980 0.6548000 4.397000 
1 1 1   83    2   21 o   7.1500   2.0780 -2.519000 4.156000 
1 1 1   83    2   22 o   7.3300   2.1480 1.469000 4.295000 
1 1 1   83    3    0 f   8.4770   2.9210 -0.000000 0.000000 
1 1 1   83    3    1 o   18.360   1.2150 -0.2365000 2.430000 
1 1 1   83    3    2 o   27.300   0.8519 -0.1947000 1.704000 
1 1 1   83    3    3 o   39.220   0.6871 0.8489000 1.374000 
1 1 1   83    3    4 o   10.380   1.9510 -3.653000 3.901000 
1 1 1   83    3    5 o   5.5600   1.7890 1.663000 3.578000 
1 1 1   83    3    6 o   19.930   1.1490 -0.8445000 2.299000 
1 1 1   83    3    7 o   36.290   0.7248 1.153000 1.450000 
1 1 1   83    3    8 o   26.400   0.9266 -5.548000 1.853000 
1 1 1   83    3    9 o   26.830   0.9138 1.242000 1.828000 
1 1 1   83    3   10 o   17.550   1.3910 2.599000 2.782000 
1 1 1   83    3   11 o   24.280   0.9987 1.714000 1.997000 
1 1 1   83    3   12 o   18.560   1.3510 -3.638000 2.701000 
1 1 1   83    3   13 o   8.7610   2.1570 -2.312000 4.314000 
1 1 1   83    3   14 o   14.290   1.7860 -4.910000 3.572000 
1 1 1   83    3   15 o   15.410   1.6150 -2.643000 3.231000 
1 1 1   83    3   16 o   11.270   2.0180 -2.419000 4.036000 
1 1 1   83    3   17 o   9.4120   2.0690 -2.995000 4.139000 
1 1 1   83    3   18 o   7.3930   1.9980 2.361000 3.997000 
1 1 1   83    3   19 o   7.8550   2.1470 0.2892000 4.295000 
1 1 1   83    3   20 o   9.5790   2.1370 -1.037000 4.275000 
1 1 1   83    3   21 o   6.9900   2.0110 -0.1713000 4.022000 
1 1 1   83    3   22 o   6.7850   1.9440 1.611000 3.887000 
1 1 1   83    4    0 o   28.150   1.4420 -0.000000 0.000000 
1 1 1   83    4    1 o   11.710   2.1210 -3.932000 4.242000 
1 1 1   83    4    2 o   14.020   1.9420 -1.781000 3.885000 
1 1 1   83    4    3 o   20.610   1.3340 -1.889000 2.668000 
1 1 1   83    4    4 o   14.150   1.9370 3.376000 3.874000 
1 1 1   83    4    5 o   11.410   2.1710 -4.500000 4.343000 
1 1 1   83    4    6 o   27.120   1.0680 1.564000 2.135000 
1 1 1   83    4    7 o   18.770   1.4540 1.328000 2.908000 
1 1 1   83    4    8 o   16.160   1.7700 -0.5141000 3.540000 
1 1 1   83    4    9 o   17.870   1.4680 2.792000 2.936000 
1 1 1   83    4   10 o   39.500   0.7958 3.513000 1.592000 
1 1 1   83    4   11 o   15.880   1.6700 2.270000 3.339000 
1 1 1   83    4   12 o   11.290   1.9540 7.600000 3.908000 
1 1 1   83    4   13 o   20.490   1.3680 1.772000 2.737000 
1 1 1   83    4   14 o   9.1720   2.3350 -1.798000 4.669000 
1 1 1   83    4   15 o   6.5890   2.0410 -1.320000 4.081000 
1 1 1   83    4   16 o   11.680   1.9720 3.936000 3.944000 
1 1 1   83    4   17 o   7.9050   2.0030 3.591000 4.006000 
1 1 1   83    4   18 o   14.580   1.6010 -2.771000 3.203000 
1 1 1   83    4   19 o   5.1420   1.6930 -0.3738000 3.385000 
1 1 1   83    4   20 o   6.3470   1.8980 0.4999000 3.795000 
1 1 1   83    4   21 o   12.230   1.6930 -5.542000 3.385000 
1 1 1   83    5    0 o   12.690   3.0910 -0.000000 0.000000 
1 1 1   83    5    1 o   10.430   2.1620 -5.683000 4.323000 
1 1 1   83    5    2 o   12.640   2.1450 0.2213000 4.290000 
1 1 1   83    5    3 o   17.330   1.7640 -6.563000 3.529000 
1 1 1   83    5    4 o   9.6240   2.3110 -2.099000 4.622000 
1 1 1   83    5    5 f   11.200   2.1990 -4.949000 4.398000 
1 1 1   83    5    6 o   25.890   1.0990 2.632000 2.198000 
1 1 1   83    5    7 o   34.330   0.8989 -0.3264000 1.798000 
1 1 1   83    5    8 o   20.720   1.3950 3.656000 2.789000 
1 1 1   83    5    9 o   19.210   1.4660 0.3576000E-01 2.933000 
1 1 1   83    5   10 o   43.550   0.8273 -0.2121000 1.655000 
1 1 1   83    5   11 o   10.440   2.2740 -3.719000 4.549000 
1 1 1   83    5   12 o   14.040   2.1010 -1.044000 4.202000 
1 1 1   83    5   13 o   9.9330   2.4230 -0.3422000 4.847000 
1 1 1   83    5   14 o   13.360   2.1480 -6.345000 4.296000 
1 1 1   83    5   15 o   10.350   2.3480 -1.978000 4.695000 
1 1 1   83    5   16 o   13.080   2.1690 -3.600000 4.338000 
1 1 1   83    5   17 o   11.500   2.1660 4.948000 4.332000 
1 1 1   83    5   18 o   10.310   2.1860 -1.351000 4.371000 
1 1 1   83    5   19 f   10.440   2.1430 -3.296000 4.287000 
1 1 1   83    5   20 o   11.830   1.9700 -2.092000 3.939000 
1 1 1   83    5   21 o   11.050   1.9960 0.8286000 3.992000 
1 1 1   83    6    0 o   8.1370   3.2030 -0.000000 0.000000 
1 1 1   83    6    1 o   24.670   1.1670 -0.2955000E-01 2.334000 
1 1 1   83    6    2 o   24.060   1.2060 -2.185000 2.413000 
1 1 1   83    6    3 o   9.7290   2.3520 1.356000 4.705000 
1 1 1   83    6    4 o   18.650   1.5390 2.501000 3.077000 
1 1 1   83    6    5 o   10.200   2.3460 0.7336000 4.692000 
1 1 1   83    6    6 o   27.470   1.0750 -3.722000 2.150000 
1 1 1   83    6    7 o   17.700   1.7000 -3.883000 3.399000 
1 1 1   83    6    8 o   19.890   1.4490 -2.765000 2.898000 
1 1 1   83    6    9 o   16.700   1.8020 -2.855000 3.604000 
1 1 1   83    6   10 o   9.1820   2.3650 -1.704000 4.730000 
1 1 1   83    6   11 o   23.370   1.3050 0.5009000 2.611000 
1 1 1   83    6   12 o   28.640   1.0890 0.2062000 2.177000 
1 1 1   83    6   13 o   7.8930   2.2290 -3.132000 4.457000 
1 1 1   83    6   14 o   15.010   2.0380 2.610000 4.076000 
1 1 1   83    6   15 o   12.710   2.2880 2.397000 4.576000 
1 1 1   83    6   16 o   9.0200   2.2650 3.706000 4.530000 
1 1 1   83    6   17 o   13.890   2.0740 -1.111000 4.147000 
1 1 1   83    6   18 o   10.030   2.3160 -2.356000 4.632000 
1 1 1   83    6   19 f   11.850   2.1970 0.9526000 4.394000 
1 1 1   83    6   20 o   5.1860   1.7480 -0.9200000 3.496000 
1 1 1   83    6   21 o   11.990   3.8810      ?      ? 
1 1 1   83    7    0 o   12.530   3.2180 -0.000000 0.000000 
1 1 1   83    7    1 o   10.590   2.3510 -1.503000 4.701000 
1 1 1   83    7    2 o   15.830   1.8630 -2.208000 3.727000 
1 1 1   83    7    3 f   16.150   1.8660 -3.054000 3.732000 
1 1 1   83    7    4 o   27.720   1.1240 7.237000 2.248000 
1 1 1   83    7    5 o   15.040   1.9620 0.3396000 3.923000 
1 1 1   83    7    6 o   11.880   2.3180 -2.438000 4.636000 
1 1 1   83    7    7 o   15.390   1.9200 2.029000 3.839000 
1 1 1   83    7    8 o   8.3590   2.1960 4.369000 4.393000 
1 1 1   83    7    9 o   11.670   2.2860 3.767000 4.573000 
1 1 1   83    7   10 o   24.540   1.8930      ?      ? 
1 1 1   83    7   11 o   31.770   1.0270 5.694000 2.055000 
1 1 1   83    7   12 o   11.810   2.1800 -6.506000 4.359000 
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1 1 1   83    9    9 o   10.030   2.2300 6.284000 4.461000 
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1 1 1   83   13    8 o   8.7000   2.3960 0.9898000 4.793000 
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1 1 1   84    6    7 o   12.210   2.2810 0.9389000 4.562000 
1 1 1   84    6    8 o   14.830   1.9920 -3.137000 3.984000 
1 1 1   84    6    9 o   41.570   0.8738 -3.662000 1.748000 
1 1 1   84    6   10 o   16.450   1.8800 0.2393000 3.760000 
1 1 1   84    6   11 o   19.330   1.6070 -4.848000 3.215000 
1 1 1   84    6   12 o   13.030   2.2470 1.682000 4.494000 
1 1 1   84    6   13 o   9.8310   2.2910 -4.852000 4.582000 
1 1 1   84    6   14 o   12.390   2.2830 1.976000 4.566000 
1 1 1   84    6   15 o   10.310   2.3660 2.448000 4.732000 
1 1 1   84    6   16 o   10.790   2.3670 0.4550000 4.735000 
1 1 1   84    6   17 o   11.630   2.2190 4.711000 4.438000 
1 1 1   84    6   18 o   12.110   2.1470 4.893000 4.294000 
1 1 1   84    6   19 o   7.3010   2.1610 -1.255000 4.321000 
1 1 1   84    6   20 o   10.360   2.2300 1.947000 4.460000 
1 1 1   84    7    0 o   10.910   3.3940 -0.000000 0.000000 
1 1 1   84    7    1 o   14.630   2.0590 1.032000 4.118000 
1 1 1   84    7    2 o   21.130   1.4180 -0.4451000 2.835000 
1 1 1   84    7    3 f   15.800   1.8790 -2.282000 3.757000 
1 1 1   84    7    4 o   10.550   2.3670 -1.428000 4.733000 
1 1 1   84    7    5 o   28.570   1.0710 -1.445000 2.142000 
1 1 1   84    7    6 o   27.560   1.1050 1.440000 2.211000 
1 1 1   84    7    7 o   16.570   1.8430 1.481000 3.687000 
1 1 1   84    7    8 o   15.220   1.9400 -1.758000 3.881000 
1 1 1   84    7    9 o   7.1320   2.1930 -0.2957000 4.386000 
1 1 1   84    7   10 o   15.990   1.8950 0.2011000 3.790000 
1 1 1   84    7   11 o   9.4690   2.3900 -0.4173000 4.779000 
1 1 1   84    7   12 o   7.6900   2.2540 -1.115000 4.507000 
1 1 1   84    7   13 o   10.450   2.4010 -1.891000 4.802000 
1 1 1   84    7   14 o   16.150   1.9000 2.852000 3.801000 
1 1 1   84    7   15 o   13.120   2.1780 -5.372000 4.357000 
1 1 1   84    7   16 o   6.9420   2.1340 1.070000 4.268000 
1 1 1   84    7   17 o   7.9490   2.2760 1.585000 4.553000 
1 1 1   84    7   18 o   6.9970   2.1080 1.956000 4.216000 
1 1 1   84    7   19 o   7.3000   2.1610 0.9840000 4.323000 
1 1 1   84    8    0 o   17.850   2.3370 -0.000000 0.000000 
1 1 1   84    8    1 o   20.020   1.5030 -0.9481000 3.005000 
1 1 1   84    8    2 o   9.4740   2.4310 -0.9622000 4.861000 
1 1 1   84    8    3 o   11.360   2.3290 -4.383000 4.657000 
1 1 1   84    8    4 o   25.360   1.2140 1.126000 2.428000 
1 1 1   84    8    5 o   7.9190   2.2940 1.793000 4.589000 
1 1 1   84    8    6 o   11.120   2.3520 -1.970000 4.704000 
1 1 1   84    8    7 o   20.080   1.5060 -3.083000 3.012000 
1 1 1   84    8    8 o   6.8280   2.0940 -2.673000 4.187000 
1 1 1   84    8    9 o   16.000   1.8600 2.624000 3.720000 
1 1 1   84    8   10 o   11.490   2.2300 -6.182000 4.459000 
1 1 1   84    8   11 o   17.230   1.8200 0.7567000 3.640000 
1 1 1   84    8   12 o   8.5370   2.2660 3.435000 4.531000 
1 1 1   84    8   13 o   13.630   2.1660 2.368000 4.331000 
1 1 1   84    8   14 o   10.850   2.3240 3.306000 4.648000 
1 1 1   84    8   15 o   15.550   1.9660 5.143000 3.931000 
1 1 1   84    8   16 o   9.4250   2.3300 -1.353000 4.660000 
1 1 1   84    8   17 o   13.290   2.0410 -4.824000 4.082000 
1 1 1   84    8   18 o   8.1680   2.1330 -5.383000 4.266000 
1 1 1   84    8   19 o   5.9180   1.9560 -0.2055000 3.912000 
1 1 1   84    9    0 f   12.320   3.2770 -0.000000 0.000000 
1 1 1   84    9    1 o   11.310   2.3320 -3.747000 4.664000 
1 1 1   84    9    2 o   13.800   2.2010 -0.9517000 4.403000 
1 1 1   84    9    3 o   18.020   1.7110 -3.385000 3.422000 
1 1 1   84    9    4 o   15.180   2.1130 3.896000 4.226000 
1 1 1   84    9    5 o   7.7500   2.1560 4.360000 4.313000 
1 1 1   84    9    6 o   9.5340   2.0430 7.274000 4.085000 
1 1 1   84    9    7 o   7.4290   2.1880 -3.323000 4.375000 
1 1 1   84    9    8 o   9.4590   2.3320 3.264000 4.665000 
1 1 1   84    9    9 o   14.340   2.1400 -4.568000 4.280000 
1 1 1   84    9   10 o   6.4700   2.0800 0.3085000 4.160000 
1 1 1   84    9   11 o   15.480   2.0440 -0.1608000 4.088000 
1 1 1   84    9   12 o   16.310   2.6470      ?      ? 
1 1 1   84    9   13 o   19.060   1.6880 -7.585000 3.377000 
1 1 1   84    9   14 o   6.6740   2.0840 -1.237000 4.167000 
1 1 1   84    9   15 o   6.4320   2.0580 0.1106000 4.117000 
1 1 1   84    9   16 o   7.1710   2.0630 -4.460000 4.126000 
1 1 1   84    9   17 o   13.060   2.1100 6.278000 4.220000 
1 1 1   84    9   18 o   9.4700   2.3480 2.482000 4.696000 
1 1 1   84   10    0 o   9.5260   3.3980 -0.000000 0.000000 
1 1 1   84   10    1 o   19.060   1.6250 2.530000 3.250000 
1 1 1   84   10    2 o   15.600   1.9660 0.9846000 3.932000 
1 1 1   84   10    3 o   9.4110   2.3960 -0.8190000 4.792000 
1 1 1   84   10    4 f   13.550   2.2570 -0.8021000 4.514000 
1 1 1   84   10    5 o   10.030   2.3860 1.561000 4.772000 
1 1 1   84   10    6 o   17.180   1.7510 -1.994000 3.502000 
1 1 1   84   10    7 o   8.4620   2.2440 4.218000 4.488000 
1 1 1   84   10    8 o   8.0090   2.2350 -2.864000 4.471000 
1 1 1   84   10    9 o   18.000   1.6920 0.1990000 3.383000 
1 1 1   84   10   10 o   7.2820   2.2170 -0.6157000 4.434000 
1 1 1   84   10   11 o   18.750   1.6950 -3.478000 3.391000 
1 1 1   84   10   12 o   16.210   1.9110 1.556000 3.822000 
1 1 1   84   10   13 o   7.7440   2.2800 -0.1190000 4.561000 
1 1 1   84   10   14 o   15.810   1.8990 0.6428000 3.799000 
1 1 1   84   10   15 o   9.0980   2.3060 -2.661000 4.613000 
1 1 1   84   10   16 o   8.4500   2.2170 3.605000 4.435000 
1 1 1   84   10   17 o   8.6450   3.7860      ?      ? 
1 1 1   84   11    0 o   13.200   3.2500 -0.000000 0.000000 
1 1 1   84   11    1 o   18.470   1.6840 -3.300000 3.368000 
1 1 1   84   11    2 o   21.220   1.4540 0.4184000 2.908000 
1 1 1   84   11    3 o   10.970   2.4280 -1.137000 4.856000 
1 1 1   84   11    4 o   19.060   1.6500 -4.137000 3.300000 
1 1 1   84   11    5 o   8.0460   2.2160 -4.834000 4.432000 
1 1 1   84   11    6 o   10.530   2.2590 5.111000 4.518000 
1 1 1   84   11    7 o   14.000   2.1380 -2.547000 4.276000 
1 1 1   84   11    8 o   11.560   2.3850 2.371000 4.769000 
1 1 1   84   11    9 o   12.530   2.3380 -3.357000 4.675000 
1 1 1   84   11   10 o   9.7830   2.4340 0.3611000 4.869000 
1 1 1   84   11   11 o   5.6560   1.8850 -1.336000 3.770000 
1 1 1   84   11   12 o   8.9830   2.2520 -4.744000 4.504000 
1 1 1   84   11   13 o   9.7080   2.3880 -1.546000 4.776000 
1 1 1   84   11   14 o   8.2610   2.2670 -3.723000 4.534000 
1 1 1   84   11   15 o   9.4810   2.1670 -5.841000 4.333000 
1 1 1   84   12    0 o   8.2930   3.3760 -0.000000 0.000000 
1 1 1   84   12    1 o   17.830   1.8320 4.616000 3.663000 
1 1 1   84   12    2 o   9.7380   2.4750 0.1313000 4.950000 
1 1 1   84   12    3 o   8.8120   2.3840 -2.668000 4.768000 
1 1 1   84   12    4 o   9.1460   2.4470 -1.095000 4.894000 
1 1 1   84   12    5 o   14.500   2.1370 1.675000 4.275000 
1 1 1   84   12    6 o   7.7760   2.1780 4.269000 4.355000 
1 1 1   84   12    7 o   9.2120   2.3510 -2.586000 4.703000 
1 1 1   84   12    8 o   9.9730   2.3430 5.213000 4.685000 
1 1 1   84   12    9 f   8.7330   2.2750 4.549000 4.551000 
1 1 1   84   12   10 o   8.2860   2.3270 0.8190000 4.653000 
1 1 1   84   12   11 o   14.500   2.0350 3.141000 4.070000 
1 1 1   84   12   12 o   10.190   2.3800 -1.550000 4.760000 
1 1 1   84   12   13 o   11.860   2.3320 0.8599000E-01 4.664000 
1 1 1   84   12   14 o   10.200   2.5380 6.791000 5.076000 
1 1 1   84   13    0 o   6.2380   2.9080 -0.000000 0.000000 
1 1 1   84   13    1 o   11.450   2.1810 8.189000 4.362000 
1 1 1   84   13    2 o   9.1990   2.4320 0.2073000E-01 4.864000 
1 1 1   84   13    3 o   8.9720   2.4260 -1.482000 4.853000 
1 1 1   84   13    4 o   11.420   2.3920 -3.210000 4.784000 
1 1 1   84   13    5 o   8.3880   2.3650 -0.8056000 4.730000 
1 1 1   84   13    6 o   14.650   2.1430 0.5534000 4.286000 
1 1 1   84   13    7 o   8.9140   2.3920 0.8945000 4.785000 
1 1 1   84   13    8 o   9.1240   2.4000 1.458000 4.800000 
1 1 1   84   13    9 o   7.1230   2.1830 0.9910000 4.366000 
1 1 1   84   13   10 o   6.4260   2.0670 1.440000 4.133000 
1 1 1   84   13   11 o   11.720   2.3290 1.600000 4.658000 
1 1 1   84   13   12 o   7.9550   2.4690 0.3348000 4.937000 
1 1 1   84   14    0 o   10.680   3.4470 -0.000000 0.000000 
1 1 1   84   14    1 o   14.470   2.1870 -0.1391000 4.374000 
1 1 1   84   14    2 o   7.1410   2.1820 -1.216000 4.364000 
1 1 1   84   14    3 o   14.250   2.1760 3.755000 4.353000 
1 1 1   84   14    4 o   11.700   2.2360 -5.981000 4.473000 
1 1 1   84   14    5 o   9.3020   2.3370 3.257000 4.673000 
1 1 1   84   14    6 o   7.5750   2.2260 2.606000 4.452000 
1 1 1   84   14    7 o   10.560   2.1680 7.327000 4.335000 
1 1 1   84   14    8 o   8.0760   2.3040 -1.508000 4.607000 
1 1 1   84   14    9 o   7.2810   2.2210 1.891000 4.442000 
1 1 1   84   15    0 o   17.640   2.5780 -0.000000 0.000000 
1 1 1   84   15    1 o   6.4720   2.0720 -0.4355000 4.145000 
1 1 1   84   15    2 o   6.5910   2.1110 0.2466000 4.222000 
1 1 1   84   15    3 o   10.830   2.1540 -7.279000 4.308000 
1 1 1   84   15    4 o   9.3650   2.2580 -4.262000 4.515000 
1 1 1   84   15    5 o   9.8080   2.1960 6.850000 4.393000 
1 1 1   85    0    1 o   19.310   2.3590 -0.000000 0.000000 
1 1 1   85    0    2 o   18.170   2.5530 -0.000000 0.000000 
1 1 1   85    0    3 o   10.850   3.5830 -0.000000 0.000000 
1 1 1   85    0    4 o   28.480   1.7310 -0.000000 0.000000 
1 1 1   85    0    5 o   7.1600   3.1430 -0.000000 0.000000 
1 1 1   85    0    6 o   6.1780   2.8990 -0.000000 0.000000 
1 1 1   85    0    7 o   13.310   3.5340 -0.000000 0.000000 
1 1 1   85    0    8 o   16.020   3.0500 -0.000000 0.000000 
1 1 1   85    0    9 o   10.510   3.6410 -0.000000 0.000000 
1 1 1   85    0   10 o   7.8730   3.3440 -0.000000 0.000000 
1 1 1   85    0   11 o   17.940   2.7470 -0.000000 0.000000 
1 1 1   85    0   12 f   14.370   3.3510 -0.000000 0.000000 
1 1 1   85    0   13 o   9.4070   3.5580 -0.000000 0.000000 
1 1 1   85    0   14 o   16.740   2.7890 -0.000000 0.000000 
1 1 1   85    0   15 o   7.5160   3.2200 -0.000000 0.000000 
1 1 1   85    0   16 o   9.7020   3.5140 -0.000000 0.000000 
1 1 1   85    0   17 o   17.190   2.3740 -0.000000 0.000000 
1 1 1   85    0   18 o   15.430   2.7710 -0.000000 0.000000 
1 1 1   85    0   19 o   8.7800   3.3100 -0.000000 0.000000 
1 1 1   85    0   20 o   10.920   3.1680 -0.000000 0.000000 
1 1 1   85    0   21 o   5.4520   2.5560 -0.000000 0.000000 
1 1 1   85    1    0 o   25.870   1.7540 -0.000000 0.000000 
1 1 1   85    1    1 o   15.580   2.0950 0.7724000 4.190000 
1 1 1   85    1    2 o   10.490   2.4760 -2.836000 4.952000 
1 1 1   85    1    3 o   29.900   1.1200 -1.932000 2.239000 
1 1 1   85    1    4 f   7.9970   2.3360 2.144000 4.671000 
1 1 1   85    1    5 o   16.480   2.0240 2.422000 4.049000 
1 1 1   85    1    6 o   15.020   2.2020 5.275000 4.404000 
1 1 1   85    1    7 o   7.6370   2.3440 0.8315000E-01 4.689000 
1 1 1   85    1    8 o   18.420   1.8920 3.411000 3.783000 
1 1 1   85    1    9 o   23.950   1.4320 -4.899000 2.864000 
1 1 1   85    1   10 o   11.560   2.5180 -1.118000 5.036000 
1 1 1   85    1   11 o   9.0550   2.4770 -1.089000 4.955000 
1 1 1   85    1   12 o   19.110   1.7870 -0.9472000 3.574000 
1 1 1   85    1   13 o   7.3740   2.2860 -0.9836000 4.571000 
1 1 1   85    1   14 o   9.1250   2.3070 -5.218000 4.613000 
1 1 1   85    1   15 o   14.800   2.1700 4.194000 4.340000 
1 1 1   85    1   16 o   8.9120   2.2680 5.486000 4.537000 
1 1 1   85    1   17 f   11.220   2.0930 -7.471000 4.185000 
1 1 1   85    1   18 o   6.6380   2.0840 2.082000 4.168000 
1 1 1   85    1   19 o   8.3910   2.2790 -1.345000 4.558000 
1 1 1   85    1   20 o   7.3790   2.1030 3.123000 4.206000 
1 1 1   85    1   21 o   8.1490   2.2030 2.595000 4.407000 
1 1 1   85    2    0 o   18.340   1.7730 -0.000000 0.000000 
1 1 1   85    2    1 o   18.550   1.2620 -2.920000 2.524000 
1 1 1   85    2    2 o   23.670   1.0030 -4.393000 2.006000 
1 1 1   85    2    3 o   14.180   1.7350 -5.004000 3.469000 
1 1 1   85    2    4 o   8.3000   2.0880 2.422000 4.176000 
1 1 1   85    2    5 o   20.340   1.2870 6.007000 2.574000 
1 1 1   85    2    6 o   34.660   0.7685 0.3187000 1.537000 
1 1 1   85    2    7 o   26.820   0.9318 2.060000 1.864000 
1 1 1   85    2    8 o   18.050   1.3550 5.297000 2.709000 
1 1 1   85    2    9 o   18.380   1.2980 -0.1554000 2.596000 
1 1 1   85    2   10 o   15.260   2.2590      ?      ? 
1 1 1   85    2   11 o   5.7070   1.9050 -1.180000 3.809000 
1 1 1   85    2   12 o   8.7530   2.2480 -5.635000 4.496000 
1 1 1   85    2   13 o   9.9060   2.3450 1.202000 4.691000 
1 1 1   85    2   14 o   12.010   2.1340 -6.252000 4.268000 
1 1 1   85    2   15 o   7.1360   2.1000 -3.628000 4.199000 
1 1 1   85    2   16 o   24.130   1.2880 -1.885000 2.577000 
1 1 1   85    2   17 o   7.7200   2.0780 6.091000 4.156000 
1 1 1   85    2   18 o   8.8560   2.3430 -0.9236000E-01 4.686000 
1 1 1   85    2   19 f   12.950   1.8940 -11.46000 3.787000 
1 1 1   85    2   20 o   7.9900   2.1410 -3.277000 4.282000 
1 1 1   85    2   21 o   9.8730   2.1090 5.222000 4.219000 
1 1 1   85    3    0 o   19.020   1.6970 -0.000000 0.000000 
1 1 1   85    3    1 o   10.920   1.9060 6.147000 3.813000 
1 1 1   85    3    2 o   20.420   1.1500 1.107000 2.299000 
1 1 1   85    3    3 o   25.720   0.9442 -2.838000 1.888000 
1 1 1   85    3    4 o   14.930   1.6140 4.570000 3.229000 
1 1 1   85    3    5 o   7.6250   2.0390 -3.193000 4.078000 
1 1 1   85    3    6 o   22.210   1.0820 0.5452000E-01 2.164000 
1 1 1   85    3    7 o   24.570   0.9928 0.3541000E-01 1.986000 
1 1 1   85    3    8 o   8.6410   2.0920 -2.849000 4.184000 
1 1 1   85    3    9 o   14.740   1.6970 0.3694000 3.393000 
1 1 1   85    3   10 o   15.770   1.6180 3.870000 3.237000 
1 1 1   85    3   11 o   25.890   0.9842 0.1090000 1.968000 
1 1 1   85    3   12 o   19.840   1.2700 0.1612000 2.540000 
1 1 1   85    3   13 o   13.230   1.9400 4.696000 3.881000 
1 1 1   85    3   14 o   7.8710   2.1610 -1.555000 4.322000 
1 1 1   85    3   15 o   16.940   1.4580 1.118000 2.915000 
1 1 1   85    3   16 o   7.0120   2.0040 -1.660000 4.009000 
1 1 1   85    3   17 o   6.5410   1.9330 1.946000 3.866000 
1 1 1   85    3   18 o   7.6720   2.0300 -1.673000 4.061000 
1 1 1   85    3   19 o   11.410   1.9970 -5.352000 3.993000 
1 1 1   85    3   20 o   7.5000   2.0640 0.3298000 4.128000 
1 1 1   85    3   21 o   17.400   1.3270 -3.376000 2.653000 
1 1 1   85    4    0 o   13.020   2.9110 -0.000000 0.000000 
1 1 1   85    4    1 o   10.920   2.2750 3.543000 4.550000 
1 1 1   85    4    2 o   24.000   1.1780 -0.7155000E-01 2.355000 
1 1 1   85    4    3 o   12.550   2.1470 -3.087000 4.293000 
1 1 1   85    4    4 o   21.090   1.3210 0.1917000 2.642000 
1 1 1   85    4    5 o   6.5860   2.0640 0.5253000 4.128000 
1 1 1   85    4    6 o   13.450   2.1050 -3.208000 4.211000 
1 1 1   85    4    7 o   7.0460   2.1010 -1.165000 4.202000 
1 1 1   85    4    8 o   7.2850   2.1360 -0.4187000 4.272000 
1 1 1   85    4    9 o   11.520   2.1780 0.4349000 4.355000 
1 1 1   85    4   10 o   10.400   2.2240 2.035000 4.448000 
1 1 1   85    4   11 o   8.3260   2.2370 -3.336000 4.474000 
1 1 1   85    4   12 o   8.3790   2.2520 -2.833000 4.505000 
1 1 1   85    4   13 o   6.9900   2.0330 2.552000 4.067000 
1 1 1   85    4   14 o   16.160   1.5300 -1.023000 3.061000 
1 1 1   85    4   15 o   12.400   1.9300 3.606000 3.860000 
1 1 1   85    4   16 o   16.890   1.4620 3.361000 2.923000 
1 1 1   85    4   17 o   6.4430   1.9520 0.2170000 3.903000 
1 1 1   85    4   18 o   6.9380   1.9960 0.2043000 3.992000 
1 1 1   85    4   19 o   10.400   1.9500 -2.489000 3.900000 
1 1 1   85    4   20 o   5.6200   1.7740 -0.8081000 3.549000 
1 1 1   85    4   21 o   5.6000   1.8210 0.4556000 3.642000 
1 1 1   85    5    0 o   16.750   2.4210 -0.000000 0.000000 
1 1 1   85    5    1 o   29.650   1.0190 -2.440000 2.037000 
1 1 1   85    5    3 f   35.720   0.8865 -0.5765000 1.773000 
1 1 1   85    5    4 o   27.630   1.0740 1.078000 2.147000 
1 1 1   85    5    5 o   6.7470   2.0910 -1.094000 4.183000 
1 1 1   85    5    6 o   17.270   1.6890 0.6358000 3.378000 
1 1 1   85    5    7 o   16.410   1.7970 -2.857000 3.594000 
1 1 1   85    5    8 o   9.6550   2.2910 3.156000 4.581000 
1 1 1   85    5    9 o   15.570   1.8920 -1.435000 3.783000 
1 1 1   85    5   10 o   8.5500   2.3380 1.724000 4.677000 
1 1 1   85    5   11 o   17.830   1.6880 3.045000 3.376000 
1 1 1   85    5   12 o   13.070   2.1890 -2.888000 4.378000 
1 1 1   85    5   13 o   6.2890   2.8990      ?      ? 
1 1 1   85    5   14 o   19.880   1.4970 2.177000 2.993000 
1 1 1   85    5   15 o   13.590   2.1690 0.7480000 4.339000 
1 1 1   85    5   16 o   11.250   2.2470 4.242000 4.495000 
1 1 1   85    5   17 o   8.3600   2.1390 -4.927000 4.277000 
1 1 1   85    5   18 o   6.3180   1.9500 1.120000 3.900000 
1 1 1   85    5   19 o   12.070   2.0110 0.5094000 4.022000 
1 1 1   85    5   20 o   9.9140   2.1530 -4.224000 4.305000 
1 1 1   85    6    0 o   26.390   1.6280 -0.000000 0.000000 
1 1 1   85    6    1 o   19.770   1.5360 1.477000 3.072000 
1 1 1   85    6    2 o   13.240   2.1760 -2.284000 4.353000 
1 1 1   85    6    3 o   14.320   2.0160 -8.466000 4.031000 
1 1 1   85    6    4 o   9.9820   2.3390 -2.090000 4.678000 
1 1 1   85    6    5 o   8.6380   2.3400 1.211000 4.680000 
1 1 1   85    6    6 o   31.820   0.9816 -1.560000 1.963000 
1 1 1   85    6    7 o   20.070   1.4420 0.9576000 2.884000 
1 1 1   85    6    8 o   9.3620   3.3870      ?      ? 
1 1 1   85    6    9 o   17.810   1.7190 4.922000 3.439000 
1 1 1   85    6   10 o   18.500   1.6880 3.096000 3.377000 
1 1 1   85    6   11 o   25.000   1.2190 -3.666000 2.439000 
1 1 1   85    6   12 o   6.3810   2.0440 0.2528000 4.089000 
1 1 1   85    6   13 o   10.870   2.3120 -4.364000 4.625000 
1 1 1   85    6   14 o   9.1640   2.3790 -0.9602000 4.758000 
1 1 1   85    6   15 o   20.980   1.4090 -3.427000 2.819000 
1 1 1   85    6   16 o   10.540   2.2730 4.255000 4.546000 
1 1 1   85    6   17 o   5.7800   1.9110 -1.408000 3.821000 
1 1 1   85    6   18 f   14.430   1.9960 4.149000 3.992000 
1 1 1   85    6   19 o   16.150   1.6920 0.9565000 3.385000 
1 1 1   85    6   20 o   5.8930   1.9050 2.166000 3.810000 
1 1 1   85    7    0 o   8.5760   3.2950 -0.000000 0.000000 
1 1 1   85    7    1 o   22.300   1.3300 2.246000 2.660000 
1 1 1   85    7    2 o   11.220   2.3470 -1.189000 4.695000 
1 1 1   85    7    3 o   6.4570   2.0720 0.3224000 4.144000 
1 1 1   85    7    4 o   18.780   1.6420 0.5484000 3.284000 
1 1 1   85    7    5 f   27.800   1.1060 -0.1925000 2.213000 
1 1 1   85    7    6 o   29.920   1.0580 2.100000 2.116000 
1 1 1   85    7    7 o   16.230   1.9310 7.437000 3.862000 
1 1 1   85    7    9 o   7.3080   2.1070 4.446000 4.213000 
1 1 1   85    7   10 o   36.360   0.9370 0.4044000 1.874000 
1 1 1   85    7   11 o   15.600   1.9750 -6.682000 3.950000 
1 1 1   85    7   12 o   9.6870   2.3600 -2.806000 4.720000 
1 1 1   85    7   13 o   14.780   2.0750 -1.414000 4.150000 
1 1 1   85    7   14 o   13.930   2.1440 -3.251000 4.288000 
1 1 1   85    7   15 f   9.1690   2.3780 -0.6736000 4.755000 
1 1 1   85    7   16 f   8.4480   2.2320 3.471000 4.463000 
1 1 1   85    7   17 f   8.9320   2.3080 1.280000 4.617000 
1 1 1   85    7   18 o   12.980   2.1130 3.574000 4.227000 
1 1 1   85    7   19 o   11.050   2.1310 -4.865000 4.263000 
1 1 1   85    8    0 o   21.690   2.0300 -0.000000 0.000000 
1 1 1   85    8    1 o   9.1970   2.3170 4.148000 4.633000 
1 1 1   85    8    2 o   31.090   1.0380 -0.7151000 2.076000 
1 1 1   85    8    3 o   17.650   1.7560 1.504000 3.512000 
1 1 1   85    8    4 o   26.790   1.1770 0.3142000 2.354000 
1 1 1   85    8    5 o   18.350   1.6950 -4.141000 3.390000 
1 1 1   85    8    6 o   9.5720   2.2730 4.746000 4.546000 
1 1 1   85    8    7 o   7.2470   2.1860 -1.498000 4.371000 
1 1 1   85    8    8 o   9.3620   2.4090 -1.697000 4.818000 
1 1 1   85    8    9 o   10.780   2.1560 -7.330000 4.312000 
1 1 1   85    8   10 o   21.600   1.4520 1.461000 2.905000 
1 1 1   85    8   11 o   10.460   2.3460 -4.514000 4.691000 
1 1 1   85    8   12 o   8.9590   2.3940 -0.5236000 4.789000 
1 1 1   85    8   13 o   11.840   2.2080 -6.442000 4.416000 
1 1 1   85    8   14 o   9.6590   2.3920 1.632000 4.783000 
1 1 1   85    8   15 o   9.6740   2.3700 1.641000 4.741000 
1 1 1   85    8   16 o   9.6790   2.3700 0.9029000 4.740000 
1 1 1   85    8   17 o   9.1230   2.1120 6.243000 4.223000 
1 1 1   85    8   18 o   12.250   2.1290 5.676000 4.258000 
1 1 1   85    9    0 o   6.7810   3.0420 -0.000000 0.000000 
1 1 1   85    9    1 o   18.900   1.6420 -0.3542000 3.284000 
1 1 1   85    9    2 o   18.720   1.6660 3.876000 3.333000 
1 1 1   85    9    3 f   15.590   1.9920 -0.9613000 3.984000 
1 1 1   85    9    4 f   7.6860   2.2660 -0.1610000 4.533000 
1 1 1   85    9    5 o   15.650   1.9690 -6.399000 3.937000 
1 1 1   85    9    6 o   11.000   2.3580 0.1108000 4.717000 
1 1 1   85    9    7 o   11.070   2.4090 0.7307000 4.818000 
1 1 1   85    9    8 o   13.470   2.1560 6.336000 4.313000 
1 1 1   85    9    9 o   18.920   2.2610      ?      ? 
1 1 1   85    9   10 o   15.580   1.9530 -3.461000 3.906000 
1 1 1   85    9   11 o   12.000   2.3820 3.454000 4.764000 
1 1 1   85    9   12 o   13.640   2.2340 -1.800000 4.467000 
1 1 1   85    9   13 o   12.650   2.0950 7.538000 4.190000 
1 1 1   85    9   14 o   10.950   2.1320 -6.617000 4.264000 
1 1 1   85    9   15 o   5.7060   1.8960 -1.231000 3.791000 
1 1 1   85    9   16 o   9.0790   2.2290 -4.995000 4.457000 
1 1 1   85    9   17 o   6.9910   2.1330 0.5546000 4.266000 
1 1 1   85   10    0 o   14.000   3.0700 -0.000000 0.000000 
1 1 1   85   10    1 o   16.600   1.8300 -0.2708000 3.659000 
1 1 1   85   10    2 o   9.8620   2.4170 1.016000 4.833000 
1 1 1   85   10    3 o   8.7770   2.3490 2.618000 4.699000 
1 1 1   85   10    4 o   9.2020   2.4110 1.607000 4.821000 
1 1 1   85   10    5 o   14.640   2.0410 -7.832000 4.082000 
1 1 1   85   10    6 o   7.4070   2.2050 -2.044000 4.410000 
1 1 1   85   10    7 o   23.520   1.2780 2.072000 2.557000 
1 1 1   85   10    8 o   15.920   1.9340 -0.9280000 3.867000 
1 1 1   85   10    9 o   24.110   1.2990 -0.1201000 2.598000 
1 1 1   85   10   10 o   14.770   2.0660 0.3014000 4.131000 
1 1 1   85   10   11 o   8.5280   2.1250 -6.261000 4.250000 
1 1 1   85   10   12 o   12.750   2.2690 -1.835000 4.538000 
1 1 1   85   10   13 o   12.530   2.2300 0.8616000E-01 4.461000 
1 1 1   85   10   14 o   7.5780   2.2300 -0.5696000 4.460000 
1 1 1   85   10   15 o   9.6630   2.3880 -2.037000 4.775000 
1 1 1   85   10   16 o   12.060   2.2370 -4.692000 4.473000 
1 1 1   85   11    0 o   28.200   1.5580 -0.000000 0.000000 
1 1 1   85   11    1 o   21.130   1.4630 -0.5306000 2.926000 
1 1 1   85   11    2 o   21.840   1.4060 -2.754000 2.811000 
1 1 1   85   11    3 o   7.4300   2.2100 2.393000 4.420000 
1 1 1   85   11    4 o   10.080   2.4330 1.525000 4.865000 
1 1 1   85   11    5 o   8.3020   2.3620 -0.9584000 4.724000 
1 1 1   85   11    6 o   7.0550   2.1500 2.132000 4.299000 
1 1 1   85   11    7 o   7.8400   2.3020 0.1555000 4.604000 
1 1 1   85   11    8 o   12.190   2.3460 4.053000 4.692000 
1 1 1   85   11    9 o   7.7940   2.2570 3.199000 4.513000 
1 1 1   85   11   10 o   7.6350   2.2200 -2.729000 4.439000 
1 1 1   85   11   11 o   10.350   2.3530 -1.859000 4.707000 
1 1 1   85   11   12 f   8.8740   2.2040 -4.588000 4.407000 
1 1 1   85   11   13 o   7.1370   2.1890 0.5459000 4.377000 
1 1 1   85   11   14 o   8.9190   2.3160 -1.876000 4.632000 
1 1 1   85   11   15 o   8.3820   2.5210 3.834000 5.043000 
1 1 1   85   12    0 o   18.540   2.4100 -0.000000 0.000000 
1 1 1   85   12    1 o   6.7310   2.1560 0.1450000 4.311000 
1 1 1   85   12    2 o   15.400   2.0720 -5.106000 4.144000 
1 1 1   85   12    3 o   10.180   2.3700 4.751000 4.739000 
1 1 1   85   12    4 o   23.760   1.3440 -2.827000 2.689000 
1 1 1   85   12    5 o   8.5780   2.2110 -5.409000 4.421000 
1 1 1   85   12    6 o   7.8210   2.2050 3.753000 4.410000 
1 1 1   85   12    7 o   14.400   2.1260 -1.628000 4.252000 
1 1 1   85   12    8 o   8.2810   2.2740 -3.130000 4.547000 
1 1 1   85   12    9 o   9.5880   2.2600 -4.641000 4.520000 
1 1 1   85   12   10 o   10.380   2.4210 -0.6568000 4.842000 
1 1 1   85   12   11 o   8.9190   2.3630 2.535000 4.726000 
1 1 1   85   12   12 o   6.5770   2.0820 1.503000 4.164000 
1 1 1   85   12   13 o   8.5260   2.3520 -1.062000 4.704000 
1 1 1   85   13    0 o   7.0350   3.1480 -0.000000 0.000000 
1 1 1   85   13    1 o   15.860   2.0490 1.860000 4.098000 
1 1 1   85   13    2 o   6.7340   2.1360 0.4014000 4.273000 
1 1 1   85   13    3 o   5.9670   1.9800 0.1582000 3.959000 
1 1 1   85   13    4 o   10.190   2.4340 0.7475000 4.868000 
1 1 1   85   13    5 o   7.9350   2.3150 0.7918000E-02 4.629000 
1 1 1   85   13    6 o   10.550   2.3820 -2.083000 4.765000 
1 1 1   85   13    7 o   6.0190   1.9700 2.313000 3.940000 
1 1 1   85   13    8 o   7.8640   2.2430 3.465000 4.486000 
1 1 1   85   13    9 o   6.1200   1.9980 2.111000 3.996000 
1 1 1   85   13   10 o   5.9980   1.9820 0.1950000 3.964000 
1 1 1   85   13   11 o   5.9420   1.9760 1.596000 3.951000 
1 1 1   85   14    0 o   10.690   3.4300 -0.000000 0.000000 
1 1 1   85   14    1 o   12.270   2.2650 -6.792000 4.531000 
1 1 1   85   14    2 o   9.1400   2.2860 4.572000 4.572000 
1 1 1   85   14    3 o   8.7940   2.3980 0.3355000 4.796000 
1 1 1   85   14    4 o   10.060   2.4190 1.237000 4.837000 
1 1 1   85   14    5 o   9.8170   2.3770 3.036000 4.753000 
1 1 1   85   14    6 o   7.0810   2.1750 1.737000 4.350000 
1 1 1   85   14    7 o   8.8920   2.2470 -4.007000 4.494000 
1 1 1   85   14    8 o   7.5870   2.2730 -0.4519000 4.547000 
1 1 1   85   15    0 o   10.180   3.4870 -0.000000 0.000000 
1 1 1   85   15    1 o   9.4710   2.2910 -4.348000 4.582000 
1 1 1   85   15    2 o   6.0090   1.9950 1.082000 3.990000 
1 1 1   85   15    3 f   14.960   4.2650      ?      ? 
1 1 1   86    0    0 o   26.820   2.4580 -0.000000 0.000000 
1 1 1   86    0    1 o   9.0310   3.5020 -0.000000 0.000000 
1 1 1   86    0    2 o   43.950   1.2640 -0.000000 0.000000 
1 1 1   86    0    3 o   15.840   3.0760 -0.000000 0.000000 
1 1 1   86    0    4 o   40.330   1.3040 -0.000000 0.000000 
1 1 1   86    0    5 o   36.420   1.4230 -0.000000 0.000000 
1 1 1   86    0    6 o   8.0230   3.3480 -0.000000 0.000000 
1 1 1   86    0    7 o   17.110   2.7310 -0.000000 0.000000 
1 1 1   86    0    8 o   31.120   1.5940 -0.000000 0.000000 
1 1 1   86    0    9 o   11.300   3.6140 -0.000000 0.000000 
1 1 1   86    0   10 o   9.2020   3.5400 -0.000000 0.000000 
1 1 1   86    0   11 o   23.460   1.9900 -0.000000 0.000000 
1 1 1   86    0   12 o   29.740   1.6880 -0.000000 0.000000 
1 1 1   86    0   13 o   7.5240   3.3110 -0.000000 0.000000 
1 1 1   86    0   14 o   9.3360   3.5120 -0.000000 0.000000 
1 1 1   86    0   15 o   26.880   1.7860 -0.000000 0.000000 
1 1 1   86    0   16 f   14.320   3.0900 -0.000000 0.000000 
1 1 1   86    0   17 o   8.8220   3.3390 -0.000000 0.000000 
1 1 1   86    0   18 o   10.860   3.3570 -0.000000 0.000000 
1 1 1   86    0   19 o   5.9330   2.7480 -0.000000 0.000000 
1 1 1   86    0   20 o   6.0180   2.7680 -0.000000 0.000000 
1 1 1   86    0   21 o   13.350   2.7310 -0.000000 0.000000 
1 1 1   86    1    0 f   5.8210   2.7760 -0.000000 0.000000 
1 1 1   86    1    1 o   22.240   1.5810 7.217000 3.163000 
1 1 1   86    1    2 o   28.310   1.2250 -0.4906000 2.451000 
1 1 1   86    1    3 o   20.580   1.6220 1.027000 3.243000 
1 1 1   86    1    4 o   8.3100   2.3300 -4.310000 4.660000 
1 1 1   86    1    5 o   31.070   1.0990 -5.265000 2.198000 
1 1 1   86    1    6 o   12.880   2.4640 0.6093000 4.928000 
1 1 1   86    1    7 o   14.890   2.2560 -1.002000 4.512000 
1 1 1   86    1    8 o   19.980   1.6950 -0.7611000E-01 3.391000 
1 1 1   86    1    9 o   26.340   1.2880 -1.699000 2.576000 
1 1 1   86    1   10 o   29.320   1.2050 4.204000 2.411000 
1 1 1   86    1   11 o   18.770   1.8660 -4.210000 3.731000 
1 1 1   86    1   12 o   8.8060   2.4330 -3.092000 4.867000 
1 1 1   86    1   13 o   14.510   2.3270 -2.071000 4.653000 
1 1 1   86    1   14 o   11.850   2.3700 5.350000 4.740000 
1 1 1   86    1   15 o   23.440   1.3690 2.642000 2.737000 
1 1 1   86    1   16 o   6.1980   2.0160 -0.2685000 4.033000 
1 1 1   86    1   17 o   7.6970   2.0960 -5.400000 4.193000 
1 1 1   86    1   18 o   10.470   2.4060 -0.5371000 4.812000 
1 1 1   86    1   19 o   11.060   2.1130 6.412000 4.225000 
1 1 1   86    1   20 o   7.6980   2.1900 -0.8468000 4.381000 
1 1 1   86    1   21 o   18.360   1.5060 -6.187000 3.012000 
1 1 1   86    2    0 o   19.370   1.7140 -0.000000 0.000000 
1 1 1   86    2    1 o   5.7070   1.8230 -1.088000 3.646000 
1 1 1   86    2    2 o   20.630   1.1780 -2.563000 2.355000 
1 1 1   86    2    3 o   9.9970   2.1090 -2.669000 4.218000 
1 1 1   86    2    4 o   24.800   0.9878 1.808000 1.976000 
1 1 1   86    2    5 o   30.180   1.0020 -2.003000 2.005000 
1 1 1   86    2    6 o   43.350   0.6898 1.659000 1.380000 
1 1 1   86    2    7 o   21.340   1.1490 -2.566000 2.298000 
1 1 1   86    2    8 o   42.190   0.6965 2.857000 1.393000 
1 1 1   86    2    9 o   11.350   2.1890 3.810000 4.379000 
1 1 1   86    2   10 o   23.630   1.3040 4.829000 2.608000 
1 1 1   86    2   11 o   26.870   1.1150 -0.8007000E-01 2.231000 
1 1 1   86    2   12 o   16.610   1.8130 -1.044000 3.626000 
1 1 1   86    2   13 o   23.160   1.2680 -0.4976000 2.535000 
1 1 1   86    2   14 o   17.760   1.5760 -3.612000 3.152000 
1 1 1   86    2   15 o   12.770   2.0460 -6.439000 4.092000 
1 1 1   86    2   16 o   22.050   1.4330 2.928000 2.866000 
1 1 1   86    2   17 o   10.950   2.3570 -2.086000 4.714000 
1 1 1   86    2   18 o   7.8600   2.1330 -4.195000 4.266000 
1 1 1   86    2   19 o   6.9810   2.1190 1.592000 4.238000 
1 1 1   86    2   20 o   8.0340   2.2480 -0.2043000 4.495000 
1 1 1   86    2   21 o   9.6750   2.2320 3.339000 4.464000 
1 1 1   86    3    0 o   8.5170   3.0150 -0.000000 0.000000 
1 1 1   86    3    1 o   21.140   1.1390 2.551000 2.279000 
1 1 1   86    3    2 o   9.3360   2.1300 -1.715000 4.260000 
1 1 1   86    3    3 o   12.850   1.8960 2.434000 3.791000 
1 1 1   86    3    4 o   19.620   1.2270 -3.205000 2.454000 
1 1 1   86    3    5 o   27.070   0.9047 0.4638000 1.809000 
1 1 1   86    3    6 o   11.780   1.8790 -7.229000 3.758000 
1 1 1   86    3    7 o   23.430   1.0740 4.060000 2.148000 
1 1 1   86    3    8 o   11.860   2.0450 0.9198000 4.091000 
1 1 1   86    3    9 o   29.670   0.8771 -1.003000 1.754000 
1 1 1   86    3   10 o   8.9100   2.1630 2.546000 4.326000 
1 1 1   86    3   11 o   8.9170   2.1240 -5.527000 4.248000 
1 1 1   86    3   12 o   7.4370   2.0830 2.588000 4.166000 
1 1 1   86    3   13 o   15.820   1.6240 2.145000 3.247000 
1 1 1   86    3   14 o   9.1100   2.1770 1.517000 4.354000 
1 1 1   86    3   15 o   14.910   1.6780 2.854000 3.357000 
1 1 1   86    3   16 o   7.3370   1.9460 -4.374000 3.892000 
1 1 1   86    3   17 o   6.7990   1.9490 -2.770000 3.898000 
1 1 1   86    3   18 o   12.980   1.9260 -2.347000 3.852000 
1 1 1   86    3   19 o   12.740   1.9560 0.3046000 3.913000 
1 1 1   86    3   20 o   6.2640   1.8660 2.255000 3.732000 
1 1 1   86    4    0 o   17.790   2.1840 -0.000000 0.000000 
1 1 1   86    4    1 o   18.440   2.1940      ?      ? 
1 1 1   86    4    2 o   15.260   1.9040 -1.184000 3.809000 
1 1 1   86    4    3 o   6.5480   2.0400 -2.558000 4.080000 
1 1 1   86    4    4 o   10.190   2.3250 0.4151000 4.650000 
1 1 1   86    4    5 o   22.530   1.1770 -3.741000 2.354000 
1 1 1   86    4    6 f   27.490   1.0150 0.7058000 2.030000 
1 1 1   86    4    7 o   6.9420   2.0930 -0.8853000 4.185000 
1 1 1   86    4    8 o   21.200   1.3200 4.587000 2.641000 
1 1 1   86    4    9 o   15.710   1.7530 1.965000 3.507000 
1 1 1   86    4   10 o   21.480   1.2800 0.2248000 2.560000 
1 1 1   86    4   11 o   19.320   1.4640 -1.477000 2.928000 
1 1 1   86    4   12 o   23.820   1.0640 -0.1101000 2.128000 
1 1 1   86    4   13 o   6.8330   2.0500 0.2706000 4.101000 
1 1 1   86    4   14 o   9.3510   2.1770 -1.274000 4.354000 
1 1 1   86    4   15 o   9.8570   2.1590 -0.4515000 4.318000 
1 1 1   86    4   16 o   10.300   2.1150 0.3093000E-01 4.230000 
1 1 1   86    4   17 o   6.2830   1.9190 1.055000 3.839000 
1 1 1   86    4   18 o   9.4320   1.8860 5.827000 3.772000 
1 1 1   86    4   19 o   16.530   1.3090 -1.361000 2.619000 
1 1 1   86    4   20 o   19.040   1.1170 2.276000 2.235000 
1 1 1   86    5    0 o   24.660   1.7210 -0.000000 0.000000 
1 1 1   86    5    1 o   28.990   1.0550 -2.748000 2.111000 
1 1 1   86    5    2 o   8.7660   2.3040 -2.428000 4.609000 
1 1 1   86    5    3 o   4.8230   2.3670      ?      ? 
1 1 1   86    5    4 o   12.420   2.1910 3.446000 4.382000 
1 1 1   86    5    5 o   23.860   1.2280 4.341000 2.456000 
1 1 1   86    5    6 o   13.430   2.1930 0.3930000 4.386000 
1 1 1   86    5    7 o   7.2580   2.1440 -2.938000 4.288000 
1 1 1   86    5    8 o   22.860   1.2800 -2.081000 2.560000 
1 1 1   86    5    9 o   12.380   2.2900 -0.8789000 4.580000 
1 1 1   86    5   10 o   36.150   0.9295 -2.326000 1.859000 
1 1 1   86    5   11 o   7.5310   2.2150 -2.159000 4.430000 
1 1 1   86    5   12 o   16.680   1.9060 -6.303000 3.811000 
1 1 1   86    5   13 o   12.570   2.1760 5.370000 4.351000 
1 1 1   86    5   14 o   10.070   2.3570 -2.328000 4.715000 
1 1 1   86    5   15 o   8.5200   2.2950 1.525000 4.589000 
1 1 1   86    5   16 o   7.5200   2.1190 1.081000 4.237000 
1 1 1   86    5   17 o   7.7500   2.1650 0.3477000 4.329000 
1 1 1   86    5   18 o   8.2680   2.1220 -4.015000 4.244000 
1 1 1   86    5   19 o   17.150   1.5580 5.528000 3.115000 
1 1 1   86    5   20 f   7.1230   2.0220 1.337000 4.045000 
1 1 1   86    6    0 o   5.7110   2.6840 -0.000000 0.000000 
1 1 1   86    6    1 o   7.4750   2.1530 -3.233000 4.307000 
1 1 1   86    6    2 o   19.380   1.5400 2.907000 3.080000 
1 1 1   86    6    3 o   8.8090   2.3570 -0.7869000 4.713000 
1 1 1   86    6    4 o   25.900   1.1700 -1.628000 2.339000 
1 1 1   86    6    5 o   13.840   2.1270 -4.721000 4.254000 
1 1 1   86    6    6 o   17.830   1.6970 1.476000 3.393000 
1 1 1   86    6    7 o   16.160   1.8850 5.039000 3.770000 
1 1 1   86    6    8 o   6.0300   1.9740 0.4776000 3.948000 
1 1 1   86    6    9 o   33.600   0.9501 2.661000 1.900000 
1 1 1   86    6   10 o   10.820   2.4550 -0.2193000 4.911000 
1 1 1   86    6   11 o   14.820   2.0630 1.412000 4.125000 
1 1 1   86    6   12 o   23.750   1.2700 0.4143000 2.539000 
1 1 1   86    6   13 o   8.8780   2.3570 -1.400000 4.714000 
1 1 1   86    6   14 o   8.1700   2.3050 1.423000 4.610000 
1 1 1   86    6   15 o   6.1790   2.0020 -0.8553000 4.005000 
1 1 1   86    6   16 o   7.6570   2.1070 4.664000 4.214000 
1 1 1   86    6   17 o   12.780   2.1570 -4.462000 4.313000 
1 1 1   86    6   18 f   15.370   1.8790 1.669000 3.758000 
1 1 1   86    6   19 o   10.110   2.2690 -1.963000 4.538000 
1 1 1   86    7    0 o   21.580   1.9910 -0.000000 0.000000 
1 1 1   86    7    1 o   29.340   1.0850 2.340000 2.171000 
1 1 1   86    7    2 o   9.1030   2.3980 1.167000 4.795000 
1 1 1   86    7    3 o   14.570   2.1210 -0.8859000E-01 4.241000 
1 1 1   86    7    4 o   21.160   1.3970 2.135000 2.795000 
1 1 1   86    7    5 o   21.990   1.3720 -0.3606000E-01 2.744000 
1 1 1   86    7    6 o   17.030   1.8400 3.141000 3.679000 
1 1 1   86    7    7 o   22.880   1.2980 -1.754000 2.596000 
1 1 1   86    7    8 o   14.940   2.0450 -0.5394000 4.091000 
1 1 1   86    7    9 o   15.850   1.8620 0.2926000 3.723000 
1 1 1   86    7   10 o   27.150   1.1610 1.650000 2.322000 
1 1 1   86    7   11 o   8.2800   2.3240 -2.771000 4.648000 
1 1 1   86    7   12 o   7.8280   2.2880 -0.6575000 4.577000 
1 1 1   86    7   13 o   7.9160   2.2700 -2.245000 4.540000 
1 1 1   86    7   14 o   7.3630   2.1740 -3.212000 4.348000 
1 1 1   86    7   15 o   6.8000   2.0840 -3.005000 4.168000 
1 1 1   86    7   16 o   7.0530   2.1110 2.530000 4.222000 
1 1 1   86    7   17 o   12.440   2.1650 3.268000 4.330000 
1 1 1   86    7   18 f   6.7160   2.0600 -2.025000 4.120000 
1 1 1   86    8    0 o   7.8550   3.2640 -0.000000 0.000000 
1 1 1   86    8    1 o   28.890   1.0980 -1.623000 2.197000 
1 1 1   86    8    2 o   11.970   2.2580 -5.125000 4.517000 
1 1 1   86    8    3 o   11.350   2.1940 -7.237000 4.388000 
1 1 1   86    8    4 o   18.010   1.7260 -1.598000 3.453000 
1 1 1   86    8    5 o   16.050   1.9140 1.723000 3.828000 
1 1 1   86    8    6 o   23.860   1.2650 -4.220000 2.530000 
1 1 1   86    8    7 o   13.520   2.1960 3.898000 4.392000 
1 1 1   86    8    8 o   19.000   1.6020 0.2311000 3.205000 
1 1 1   86    8    9 o   16.150   1.9650 3.402000 3.930000 
1 1 1   86    8   10 o   15.690   2.0470 4.535000 4.093000 
1 1 1   86    8   11 o   7.2540   2.2190 -0.4203000E-01 4.437000 
1 1 1   86    8   12 o   17.580   1.7520 -1.340000 3.503000 
1 1 1   86    8   13 o   13.260   2.1680 6.159000 4.335000 
1 1 1   86    8   14 o   8.2800   2.2850 -2.599000 4.569000 
1 1 1   86    8   15 o   10.690   2.3580 1.444000 4.716000 
1 1 1   86    8   16 o   7.4080   2.1110 3.907000 4.222000 
1 1 1   86    8   17 o   9.2880   2.3560 0.1394000 4.712000 
1 1 1   86    8   18 o   9.8040   2.7780 -0.2396000 5.555000 
1 1 1   86    9    0 f   6.2780   2.8970 -0.000000 0.000000 
1 1 1   86    9    1 o   16.370   1.9210 2.344000 3.842000 
1 1 1   86    9    2 o   22.350   1.3480 1.108000 2.697000 
1 1 1   86    9    3 o   12.320   2.3130 3.890000 4.626000 
1 1 1   86    9    4 o   7.3370   2.2230 -1.266000 4.446000 
1 1 1   86    9    5 o   12.710   2.1860 -4.943000 4.372000 
1 1 1   86    9    6 o   12.250   2.3300 -1.003000 4.661000 
1 1 1   86    9    7 o   20.280   1.4740 0.4002000 2.949000 
1 1 1   86    9    8 o   25.730   1.1990 2.099000 2.398000 
1 1 1   86    9    9 o   16.880   1.8470 -4.326000 3.695000 
1 1 1   86    9   10 o   11.690   2.3810 0.5941000 4.763000 
1 1 1   86    9   11 o   22.610   1.3860 0.8222000 2.772000 
1 1 1   86    9   12 o   8.0930   2.3150 -0.3043000 4.629000 
1 1 1   86    9   13 o   11.920   2.2240 -4.356000 4.448000 
1 1 1   86    9   14 o   14.090   1.9170 10.90000 3.834000 
1 1 1   86    9   15 o   7.0630   2.1530 0.8358000 4.305000 
1 1 1   86    9   16 o   9.1440   2.2610 -4.207000 4.522000 
1 1 1   86    9   17 o   11.510   2.8320 -2.270000 5.665000 
1 1 1   86   10    0 o   8.7820   3.3900 -0.000000 0.000000 
1 1 1   86   10    1 o   16.290   1.9100 0.9771000 3.819000 
1 1 1   86   10    2 o   21.710   1.3760 -1.281000 2.753000 
1 1 1   86   10    3 o   11.580   2.2960 -4.525000 4.592000 
1 1 1   86   10    4 f   20.820   1.5120 5.186000 3.024000 
1 1 1   86   10    5 o   11.560   2.2480 -5.377000 4.496000 
1 1 1   86   10    6 o   8.5310   2.2600 -3.676000 4.520000 
1 1 1   86   10    7 o   8.8240   2.3770 0.4633000E-02 4.754000 
1 1 1   86   10    8 o   6.0910   1.9810 -2.052000 3.963000 
1 1 1   86   10    9 o   13.070   2.3050 -0.2798000 4.611000 
1 1 1   86   10   10 o   12.360   2.2880 -0.7777000 4.576000 
1 1 1   86   10   11 o   7.2780   2.2080 1.202000 4.417000 
1 1 1   86   10   12 o   16.840   1.7930 -2.284000 3.585000 
1 1 1   86   10   13 o   7.8740   2.2370 2.065000 4.474000 
1 1 1   86   10   14 o   8.0390   3.2510      ?      ? 
1 1 1   86   10   15 o   11.160   2.3740 0.4623000 4.748000 
1 1 1   86   11    0 o   8.3570   3.3130 -0.000000 0.000000 
1 1 1   86   11    1 o   8.0330   2.3210 0.9644000 4.641000 
1 1 1   86   11    2 o   25.550   1.2160 -3.102000 2.433000 
1 1 1   86   11    3 o   17.440   1.7800 -2.837000 3.560000 
1 1 1   86   11    4 o   17.790   1.7990 2.723000 3.597000 
1 1 1   86   11    5 o   7.6580   2.2680 0.7775000 4.536000 
1 1 1   86   11    6 o   10.170   2.3950 -0.5455000 4.790000 
1 1 1   86   11    7 o   17.970   1.7560 2.440000 3.511000 
1 1 1   86   11    8 o   12.750   2.2060 -5.551000 4.411000 
1 1 1   86   11    9 o   12.370   2.0380 -8.992000 4.077000 
1 1 1   86   11   10 o   9.2040   2.3630 1.098000 4.726000 
1 1 1   86   11   11 o   7.7450   2.1650 4.173000 4.331000 
1 1 1   86   11   12 o   6.3300   2.0530 -0.7880000 4.106000 
1 1 1   86   11   13 o   10.770   2.4230 -1.624000 4.847000 
1 1 1   86   11   14 o   7.0000   2.1530 1.360000 4.306000 
1 1 1   86   12    0 o   15.060   2.9600 -0.000000 0.000000 
1 1 1   86   12    1 o   8.3360   2.3860 -1.100000 4.773000 
1 1 1   86   12    2 o   8.1270   2.3150 2.276000 4.631000 
1 1 1   86   12    3 o   8.7790   2.3400 -3.639000 4.680000 
1 1 1   86   12    4 o   12.840   2.3160 0.9841000 4.632000 
1 1 1   86   12    5 o   8.4390   2.3470 1.440000 4.694000 
1 1 1   86   12    6 o   9.3630   2.3600 -2.150000 4.720000 
1 1 1   86   12    7 o   9.3690   2.3970 0.4481000 4.794000 
1 1 1   86   12    8 o   6.4360   2.0710 -0.2681000 4.143000 
1 1 1   86   12    9 o   8.0290   2.3060 0.8445000 4.613000 
1 1 1   86   12   10 o   15.940   2.7470      ?      ? 
1 1 1   86   12   11 o   7.0830   2.1410 -2.012000 4.282000 
1 1 1   86   12   12 o   8.5860   2.2920 -2.688000 4.584000 
1 1 1   86   13    0 o   8.8640   3.4340 -0.000000 0.000000 
1 1 1   86   13    1 f   7.9920   2.3100 2.095000 4.620000 
1 1 1   86   13    2 o   9.7130   2.3880 -3.716000 4.776000 
1 1 1   86   13    3 o   9.1610   2.4000 1.910000 4.799000 
1 1 1   86   13    4 o   8.0150   2.3070 -1.671000 4.614000 
1 1 1   86   13    5 o   8.5000   2.3440 1.830000 4.689000 
1 1 1   86   13    6 o   12.880   2.2300 -2.721000 4.460000 
1 1 1   86   13    7 o   6.2750   2.0430 0.7756000E-01 4.086000 
1 1 1   86   13    8 o   12.350   2.1240 8.510000 4.247000 
1 1 1   86   13    9 o   7.8990   2.2340 3.544000 4.467000 
1 1 1   86   13   10 o   8.4380   2.3690 0.5390000 4.738000 
1 1 1   86   14    0 o   8.9780   3.4370 -0.000000 0.000000 
1 1 1   86   14    1 o   6.4730   2.0590 3.053000 4.118000 
1 1 1   86   14    2 o   17.300   1.8000 0.6443000 3.600000 
1 1 1   86   14    3 o   14.280   2.1730 -0.8861000 4.346000 
1 1 1   86   14    4 o   8.9670   2.3430 2.696000 4.687000 
1 1 1   86   14    5 o   10.920   2.3650 2.636000 4.729000 
1 1 1   86   14    6 o   10.590   2.3770 -0.7857000 4.754000 
1 1 1   86   14    7 o   7.2130   2.2440 1.323000 4.487000 
1 1 1   87    0    1 f   21.250   2.1850 -0.000000 0.000000 
1 1 1   87    0    2 o   13.240   3.5030 -0.000000 0.000000 
1 1 1   87    0    3 o   9.6510   3.5600 -0.000000 0.000000 
1 1 1   87    0    4 o   7.6090   3.3160 -0.000000 0.000000 
1 1 1   87    0    5 o   39.730   1.3260 -0.000000 0.000000 
1 1 1   87    0    6 o   19.060   2.5760 -0.000000 0.000000 
1 1 1   87    0    7 o   13.200   3.4570 -0.000000 0.000000 
1 1 1   87    0    8 o   10.330   3.5790 -0.000000 0.000000 
1 1 1   87    0    9 o   23.550   1.9820 -0.000000 0.000000 
1 1 1   87    0   10 f   10.140   3.6070 -0.000000 0.000000 
1 1 1   87    0   11 o   24.040   2.0660 -0.000000 0.000000 
1 1 1   87    0   12 o   7.1030   3.1980 -0.000000 0.000000 
1 1 1   87    0   13 o   11.130   3.6360 -0.000000 0.000000 
1 1 1   87    0   14 o   10.290   3.6070 -0.000000 0.000000 
1 1 1   87    0   15 o   8.2260   3.3870 -0.000000 0.000000 
1 1 1   87    0   16 o   6.5040   2.9570 -0.000000 0.000000 
1 1 1   87    0   17 f   7.9830   3.2190 -0.000000 0.000000 
1 1 1   87    0   18 f   5.1070   2.4830 -0.000000 0.000000 
1 1 1   87    0   19 o   7.5690   3.1290 -0.000000 0.000000 
1 1 1   87    0   20 o   5.9160   2.7290 -0.000000 0.000000 
1 1 1   87    1    0 o   21.390   2.2380 -0.000000 0.000000 
1 1 1   87    1    1 o   32.160   1.0570 -0.5426000 2.114000 
1 1 1   87    1    2 o   16.610   2.0150 2.588000 4.029000 
1 1 1   87    1    3 o   8.8710   2.4870 -1.468000 4.975000 
1 1 1   87    1    4 o   13.990   2.2870 6.207000 4.574000 
1 1 1   87    1    5 o   19.380   1.7980 -3.566000 3.595000 
1 1 1   87    1    6 o   12.110   2.5130 1.742000 5.026000 
1 1 1   87    1    7 o   17.120   2.0700 1.653000 4.139000 
1 1 1   87    1    8 o   19.350   1.7400 -4.225000 3.480000 
1 1 1   87    1    9 o   26.290   1.2680 0.2286000 2.536000 
1 1 1   87    1   10 o   17.960   1.9650 3.858000 3.930000 
1 1 1   87    1   11 o   10.190   2.5160 3.509000 5.032000 
1 1 1   87    1   12 o   12.060   2.5140 4.328000 5.028000 
1 1 1   87    1   13 o   9.7280   2.4730 3.251000 4.947000 
1 1 1   87    1   14 o   10.110   2.5260 0.9698000 5.052000 
1 1 1   87    1   15 o   8.3240   2.3880 -0.7942000 4.776000 
1 1 1   87    1   16 o   7.1580   2.1550 -2.549000 4.310000 
1 1 1   87    1   17 o   6.7910   2.1210 -1.622000 4.242000 
1 1 1   87    1   18 o   11.030   2.2070 -4.813000 4.413000 
1 1 1   87    1   19 o   8.1940   2.2720 1.416000 4.544000 
1 1 1   87    1   20 o   9.8020   2.2300 4.142000 4.460000 
1 1 1   87    2    0 o   9.2000   3.0740 -0.000000 0.000000 
1 1 1   87    2    1 o   22.860   1.0510 0.1848000 2.102000 
1 1 1   87    2    2 o   8.3680   2.1000 -2.440000 4.201000 
1 1 1   87    2    3 o   10.290   2.0420 -5.105000 4.084000 
1 1 1   87    2    4 o   12.210   1.8480 7.758000 3.697000 
1 1 1   87    2    5 o   13.760   1.7650 3.089000 3.531000 
1 1 1   87    2    6 o   10.810   2.0580 4.326000 4.115000 
1 1 1   87    2    7 o   12.760   1.9270 3.363000 3.855000 
1 1 1   87    2    8 o   8.6370   2.3200 0.6853000E-01 4.640000 
1 1 1   87    2    9 o   30.990   0.9706 -6.697000 1.941000 
1 1 1   87    2   10 o   16.500   1.8050 -1.363000 3.609000 
1 1 1   87    2   11 o   20.590   1.4110 -2.621000 2.822000 
1 1 1   87    2   12 f   10.870   2.0240 7.435000 4.048000 
1 1 1   87    2   13 o   11.480   2.1940 4.094000 4.388000 
1 1 1   87    2   14 o   7.5110   2.1650 0.6505000 4.331000 
1 1 1   87    2   15 o   10.570   2.4140 -3.144000 4.827000 
1 1 1   87    2   16 o   9.9560   2.0940 7.471000 4.188000 
1 1 1   87    2   17 o   7.1210   2.1870 -0.4410000 4.373000 
1 1 1   87    2   18 o   8.5640   2.2770 -3.346000 4.553000 
1 1 1   87    2   19 o   12.920   2.1780 2.892000 4.355000 
1 1 1   87    2   20 o   6.3840   2.9060      ?      ? 
1 1 1   87    3    0 o   8.4260   3.0160 -0.000000 0.000000 
1 1 1   87    3    1 o   11.480   2.0370 0.5673000 4.074000 
1 1 1   87    3    2 o   18.980   1.2740 -1.184000 2.548000 
1 1 1   87    3    3 o   8.9410   2.0480 4.725000 4.097000 
1 1 1   87    3    4 o   25.570   0.9607 -0.3479000E-01 1.921000 
1 1 1   87    3    5 o   12.640   1.9250 2.670000 3.851000 
1 1 1   87    3    6 o   9.7150   2.1750 0.8642000E-01 4.351000 
1 1 1   87    3    7 o   13.830   1.8210 2.676000 3.642000 
1 1 1   87    3    8 o   16.050   1.5800 1.280000 3.160000 
1 1 1   87    3    9 o   16.670   1.5390 5.057000 3.077000 
1 1 1   87    3   10 o   8.0320   2.1760 -0.4832000 4.353000 
1 1 1   87    3   11 o   6.9360   2.0650 1.323000 4.129000 
1 1 1   87    3   12 o   20.860   1.2170 0.2067000E-01 2.434000 
1 1 1   87    3   13 o   17.460   1.4550 0.7295000 2.910000 
1 1 1   87    3   14 f   6.9930   1.9960 2.909000 3.991000 
1 1 1   87    3   15 o   13.140   2.0140 -7.325000 4.027000 
1 1 1   87    3   16 o   7.4970   2.0920 -0.9039000 4.184000 
1 1 1   87    3   17 o   8.6310   2.1310 -1.991000 4.261000 
1 1 1   87    3   18 o   6.0410   1.9370 -1.936000 3.874000 
1 1 1   87    3   19 o   6.2500   1.9570 -1.625000 3.914000 
1 1 1   87    3   20 o   8.8490   2.0050 -5.800000 4.009000 
1 1 1   87    4    0 o   6.9920   3.0280 -0.000000 0.000000 
1 1 1   87    4    1 f   27.380   1.0920 0.5864000 2.185000 
1 1 1   87    4    2 o   9.4180   2.2770 -3.555000 4.554000 
1 1 1   87    4    3 o   10.180   2.2810 3.722000 4.561000 
1 1 1   87    4    4 o   11.740   2.1560 0.5655000E-01 4.312000 
1 1 1   87    4    5 o   16.040   1.7780 5.097000 3.555000 
1 1 1   87    4    6 o   8.3810   2.2420 0.8444000 4.484000 
1 1 1   87    4    7 o   6.6470   2.0590 -0.6778000E-01 4.119000 
1 1 1   87    4    8 o   6.8530   2.0500 1.935000 4.099000 
1 1 1   87    4    9 o   21.470   1.2900 -5.116000 2.580000 
1 1 1   87    4   10 o   9.1130   1.9020 7.436000 3.805000 
1 1 1   87    4   11 o   9.0760   2.2050 -2.634000 4.411000 
1 1 1   87    4   12 o   9.2150   2.2150 0.7355000 4.430000 
1 1 1   87    4   13 o   10.420   2.1410 -2.658000 4.283000 
1 1 1   87    4   14 o   9.4370   2.1680 -1.760000 4.336000 
1 1 1   87    4   15 f   10.490   2.0440 3.846000 4.087000 
1 1 1   87    4   16 f   5.8380   1.8550 -0.1431000 3.710000 
1 1 1   87    4   17 o   8.5890   2.0900 1.941000 4.180000 
1 1 1   87    4   18 o   12.000   1.8650 2.988000 3.731000 
1 1 1   87    4   19 o   7.2710   1.9870 1.606000 3.974000 
1 1 1   87    4   20 o   6.2980   1.9080 -0.9122000E-01 3.816000 
1 1 1   87    5    0 o   5.8280   2.7380 -0.000000 0.000000 
1 1 1   87    5    1 o   27.260   1.1310 -1.620000 2.262000 
1 1 1   87    5    2 o   14.400   2.0710 -1.351000 4.143000 
1 1 1   87    5    3 o   26.740   1.1280 -0.8620000 2.257000 
1 1 1   87    5    4 o   14.310   2.0590 5.101000 4.118000 
1 1 1   87    5    5 o   23.020   1.3040 -3.122000 2.607000 
1 1 1   87    5    6 o   10.300   2.3830 -2.036000 4.765000 
1 1 1   87    5    7 o   12.020   2.3060 1.442000 4.613000 
1 1 1   87    5    8 o   25.030   1.2000 -1.403000 2.400000 
1 1 1   87    5    9 o   18.020   1.7340 2.737000 3.467000 
1 1 1   87    5   10 o   7.5750   2.2540 1.668000 4.508000 
1 1 1   87    5   11 o   17.600   1.7280 0.5460000 3.457000 
1 1 1   87    5   12 o   6.9760   2.1480 1.089000 4.296000 
1 1 1   87    5   13 o   9.0710   2.3420 2.222000 4.684000 
1 1 1   87    5   14 o   16.050   1.8410 -1.709000 3.682000 
1 1 1   87    5   15 o   13.590   2.1140 -2.712000 4.229000 
1 1 1   87    5   16 o   8.3060   2.1810 1.061000 4.362000 
1 1 1   87    5   17 o   11.930   2.0190 -6.344000 4.038000 
1 1 1   87    5   18 f   8.5330   2.1870 -1.025000 4.374000 
1 1 1   87    5   19 o   8.6640   2.1980 -0.2922000 4.396000 
1 1 1   87    6    0 o   5.5190   2.6370 -0.000000 0.000000 
1 1 1   87    6    1 o   17.310   1.7800 -3.462000 3.560000 
1 1 1   87    6    2 o   21.370   1.4350 4.779000 2.870000 
1 1 1   87    6    3 o   11.580   2.3510 2.225000 4.702000 
1 1 1   87    6    4 o   9.6480   3.3690      ?      ? 
1 1 1   87    6    5 o   20.470   1.4670 -1.248000 2.933000 
1 1 1   87    6    6 o   26.950   1.1370 -1.870000 2.275000 
1 1 1   87    6    7 o   13.570   2.1610 -4.933000 4.321000 
1 1 1   87    6    8 o   10.940   2.3810 -3.525000 4.763000 
1 1 1   87    6    9 o   8.8470   2.3540 -1.214000 4.707000 
1 1 1   87    6   10 o   9.3960   2.3500 3.082000 4.699000 
1 1 1   87    6   11 o   21.790   1.4070 4.088000 2.813000 
1 1 1   87    6   12 o   16.820   1.8500 2.460000 3.700000 
1 1 1   87    6   13 o   8.0270   2.2830 2.425000 4.566000 
1 1 1   87    6   14 o   7.0070   2.1250 -2.488000 4.250000 
1 1 1   87    6   15 o   11.710   2.3030 -2.358000 4.606000 
1 1 1   87    6   16 o   11.760   2.1590 5.786000 4.318000 
1 1 1   87    6   17 o   9.4140   2.2410 3.907000 4.482000 
1 1 1   87    6   18 o   9.9310   2.3120 1.720000 4.623000 
1 1 1   87    6   19 o   7.9000   2.2750 -0.8152000 4.550000 
1 1 1   87    7    0 o   6.5820   2.9620 -0.000000 0.000000 
1 1 1   87    7    1 f   8.0390   2.2420 -3.168000 4.483000 
1 1 1   87    7    2 o   6.5480   2.0780 0.2958000 4.156000 
1 1 1   87    7    3 o   11.680   2.3460 0.2083000 4.693000 
1 1 1   87    7    4 o   8.6170   2.1910 -5.735000 4.383000 
1 1 1   87    7    5 o   22.760   1.3560 1.161000 2.711000 
1 1 1   87    7    6 o   26.980   1.1490 -0.1987000 2.297000 
1 1 1   87    7    7 o   9.5460   2.4270 -0.5460000 4.854000 
1 1 1   87    7    8 o   18.440   1.6160 -1.966000 3.232000 
1 1 1   87    7    9 o   10.250   2.4270 -1.084000 4.854000 
1 1 1   87    7   10 o   8.8760   2.3590 -2.448000 4.719000 
1 1 1   87    7   11 o   10.490   2.3200 -5.431000 4.640000 
1 1 1   87    7   12 o   13.050   2.2520 -3.753000 4.504000 
1 1 1   87    7   13 o   8.6800   2.3460 -2.502000 4.693000 
1 1 1   87    7   14 o   21.990   1.3910 1.812000 2.782000 
1 1 1   87    7   15 o   11.690   2.3400 -2.215000 4.679000 
1 1 1   87    7   16 o   8.9910   1.9780 7.823000 3.957000 
1 1 1   87    7   17 o   8.8510   2.1890 -4.858000 4.378000 
1 1 1   87    7   18 o   10.830   3.2720      ?      ? 
1 1 1   87    8    1 o   10.650   2.3670 4.198000 4.734000 
1 1 1   87    8    2 o   12.630   2.2280 -5.678000 4.457000 
1 1 1   87    8    3 o   28.090   1.1390 -0.8128000 2.278000 
1 1 1   87    8    4 f   8.3460   2.3420 0.5812000 4.683000 
1 1 1   87    8    5 o   13.160   2.1600 4.725000 4.320000 
1 1 1   87    8    6 o   12.960   2.2040 -5.445000 4.408000 
1 1 1   87    8    7 f   21.430   1.4110 -0.4724000 2.821000 
1 1 1   87    8    8 o   9.8700   2.3960 -3.497000 4.792000 
1 1 1   87    8    9 o   6.2720   2.0450 -0.7803000 4.089000 
1 1 1   87    8   10 o   8.8870   2.3940 1.870000 4.789000 
1 1 1   87    8   11 o   18.010   1.7440 -0.6910000E-01 3.488000 
1 1 1   87    8   12 o   13.790   2.1770 -2.910000 4.354000 
1 1 1   87    8   13 o   7.7230   2.2770 0.7549000 4.554000 
1 1 1   87    8   14 o   6.5120   2.0760 -0.8598000E-01 4.152000 
1 1 1   87    8   15 o   23.330   1.2670 4.068000 2.535000 
1 1 1   87    8   16 o   11.430   2.3400 -1.010000 4.680000 
1 1 1   87    8   17 o   7.8300   2.2470 -1.325000 4.494000 
1 1 1   87    9    0 o   19.100   2.3110 -0.000000 0.000000 
1 1 1   87    9    1 o   24.970   1.2690 2.076000 2.538000 
1 1 1   87    9    2 o   7.1150   2.1960 -0.6180000 4.393000 
1 1 1   87    9    3 o   12.200   2.3230 -2.089000 4.645000 
1 1 1   87    9    4 o   22.390   1.3900 1.358000 2.779000 
1 1 1   87    9    5 f   14.990   2.0280 -4.084000 4.055000 
1 1 1   87    9    6 o   32.160   1.0070 3.801000 2.013000 
1 1 1   87    9    7 o   10.910   2.3990 2.770000 4.798000 
1 1 1   87    9    8 o   15.960   1.9600 -2.445000 3.921000 
1 1 1   87    9    9 f   16.330   1.9770 -7.424000 3.953000 
1 1 1   87    9   10 o   9.2430   2.3560 -3.431000 4.712000 
1 1 1   87    9   11 o   10.720   2.4090 -3.349000 4.818000 
1 1 1   87    9   12 o   8.1330   2.2500 3.153000 4.500000 
1 1 1   87    9   13 o   7.8940   2.1420 -4.886000 4.283000 
1 1 1   87    9   14 o   10.390   2.3300 -1.466000 4.661000 
1 1 1   87    9   15 o   8.8620   2.2530 -3.833000 4.506000 
1 1 1   87    9   16 o   8.8740   2.2140 4.125000 4.429000 
1 1 1   87   10    0 o   21.570   2.0440 -0.000000 0.000000 
1 1 1   87   10    1 o   9.9550   2.3980 1.958000 4.797000 
1 1 1   87   10    2 f   19.200   1.5880 3.099000 3.176000 
1 1 1   87   10    3 o   10.100   2.3820 2.770000 4.764000 
1 1 1   87   10    4 o   23.000   1.4070 -2.051000 2.815000 
1 1 1   87   10    5 o   13.660   2.1380 -1.749000 4.276000 
1 1 1   87   10    6 o   10.800   2.4150 -1.492000 4.830000 
1 1 1   87   10    7 o   13.020   2.2360 2.991000 4.471000 
1 1 1   87   10    8 o   8.4160   2.3120 3.407000 4.624000 
1 1 1   87   10    9 o   11.850   2.3640 4.942000 4.728000 
1 1 1   87   10   10 o   8.7400   2.3720 0.4001000 4.744000 
1 1 1   87   10   11 o   13.140   2.0390 8.611000 4.078000 
1 1 1   87   10   12 o   9.6050   2.3350 1.756000 4.671000 
1 1 1   87   10   13 o   9.9640   2.3870 -1.045000 4.774000 
1 1 1   87   10   14 o   8.9550   2.3640 0.1316000 4.728000 
1 1 1   87   10   15 o   7.7670   2.2700 0.7826000 4.541000 
1 1 1   87   11    0 o   9.0510   3.4390 -0.000000 0.000000 
1 1 1   87   11    1 o   6.5540   2.0720 2.371000 4.145000 
1 1 1   87   11    2 o   7.7640   2.2930 -0.9309000 4.586000 
1 1 1   87   11    3 o   13.080   2.2770 2.127000 4.553000 
1 1 1   87   11    4 o   9.6910   2.1510 7.240000 4.303000 
1 1 1   87   11    5 o   9.4170   2.4040 0.1593000 4.808000 
1 1 1   87   11    6 o   10.220   2.3130 4.929000 4.627000 
1 1 1   87   11    7 o   17.910   1.6980 4.000000 3.396000 
1 1 1   87   11    8 o   9.1960   2.2230 5.953000 4.447000 
1 1 1   87   11    9 o   10.850   2.3990 1.483000 4.797000 
1 1 1   87   11   10 o   7.2430   2.1300 -3.180000 4.261000 
1 1 1   87   11   11 o   12.070   2.3190 0.5098000 4.638000 
1 1 1   87   11   12 o   8.3530   2.3580 -0.2568000 4.715000 
1 1 1   87   11   13 f   13.490   2.1820 4.992000 4.363000 
1 1 1   87   12    0 o   14.480   2.9830 -0.000000 0.000000 
1 1 1   87   12    1 o   15.130   2.1270 -0.7112000 4.255000 
1 1 1   87   12    2 o   13.790   2.2470 -1.965000 4.494000 
1 1 1   87   12    3 o   7.0440   2.1310 3.358000 4.263000 
1 1 1   87   12    4 o   9.5780   2.4290 0.4001000 4.859000 
1 1 1   87   12    5 o   11.980   2.2250 -4.142000 4.450000 
1 1 1   87   12    6 o   11.950   2.3440 0.7891000 4.689000 
1 1 1   87   12    7 o   8.0450   2.1730 5.346000 4.346000 
1 1 1   87   12    8 o   8.7380   2.3710 -0.1675000E-01 4.742000 
1 1 1   87   12    9 o   6.9100   2.1560 -0.2146000 4.313000 
1 1 1   87   12   10 o   9.8330   2.4260 -0.1273000 4.853000 
1 1 1   87   12   11 o   6.7240   2.0690 -3.302000 4.138000 
1 1 1   87   13    0 o   12.070   3.4300 -0.000000 0.000000 
1 1 1   87   13    1 o   10.080   2.3340 -4.529000 4.667000 
1 1 1   87   13    2 o   8.8160   2.3820 -1.944000 4.764000 
1 1 1   87   13    3 f   7.2270   2.2160 0.6789000 4.432000 
1 1 1   87   13    4 o   10.710   2.3770 3.227000 4.753000 
1 1 1   87   13    5 o   11.620   2.1760 -6.313000 4.352000 
1 1 1   87   13    6 o   6.2270   2.0080 -1.838000 4.016000 
1 1 1   87   13    7 o   10.080   2.3440 -3.230000 4.688000 
1 1 1   87   13    8 o   11.110   2.1190 7.875000 4.239000 
1 1 1   87   13    9 o   7.4110   2.2260 -0.7848000 4.452000 
1 1 1   87   14    0 o   10.090   3.4740 -0.000000 0.000000 
1 1 1   87   14    1 o   10.430   3.3910      ?      ? 
1 1 1   87   14    2 o   13.190   2.2330 -2.515000 4.467000 
1 1 1   87   14    3 o   7.5880   2.2490 0.9670000 4.499000 
1 1 1   87   14    4 o   6.8620   2.1210 2.107000 4.242000 
1 1 1   87   14    5 o   9.0980   2.4030 1.118000 4.805000 
1 1 1   88    0    0 o   11.860   4.4030 -0.000000 0.000000 
1 1 1   88    0    1 o   10.750   3.6520 -0.000000 0.000000 
1 1 1   88    0    2 o   10.850   3.6860 -0.000000 0.000000 
1 1 1   88    0    3 o   21.720   2.1910 -0.000000 0.000000 
1 1 1   88    0    4 o   19.860   2.4140 -0.000000 0.000000 
1 1 1   88    0    5 o   10.490   3.7260 -0.000000 0.000000 
1 1 1   88    0    6 o   8.8880   3.5140 -0.000000 0.000000 
1 1 1   88    0    7 o   8.3300   3.4650 -0.000000 0.000000 
1 1 1   88    0    8 o   9.4190   3.5780 -0.000000 0.000000 
1 1 1   88    0    9 o   6.9690   3.1350 -0.000000 0.000000 
1 1 1   88    0   10 o   15.420   3.1780 -0.000000 0.000000 
1 1 1   88    0   11 o   9.0070   3.5520 -0.000000 0.000000 
1 1 1   88    0   12 o   8.2500   3.4120 -0.000000 0.000000 
1 1 1   88    0   13 o   8.2310   3.4200 -0.000000 0.000000 
1 1 1   88    0   14 o   11.300   3.5690 -0.000000 0.000000 
1 1 1   88    0   15 o   13.230   3.2530 -0.000000 0.000000 
1 1 1   88    0   16 o   9.7400   3.4240 -0.000000 0.000000 
1 1 1   88    0   17 o   7.9290   3.2340 -0.000000 0.000000 
1 1 1   88    0   18 o   5.8590   2.7370 -0.000000 0.000000 
1 1 1   88    0   19 o   10.790   3.4000 -0.000000 0.000000 
1 1 1   88    0   20 o   14.370   2.8180 -0.000000 0.000000 
1 1 1   88    1    0 o   37.300   1.3920 -0.000000 0.000000 
1 1 1   88    1    1 o   13.770   2.3500 -0.6218000E-01 4.700000 
1 1 1   88    1    2 o   10.430   2.5560 1.398000 5.112000 
1 1 1   88    1    3 o   11.640   2.5390 3.627000 5.078000 
1 1 1   88    1    4 o   19.170   1.8140 -3.665000 3.628000 
1 1 1   88    1    5 o   28.590   1.2430 1.423000 2.486000 
1 1 1   88    1    6 o   14.930   2.3690 3.579000 4.737000 
1 1 1   88    1    7 o   16.040   2.1710 1.311000 4.342000 
1 1 1   88    1    8 o   9.8410   2.4830 3.316000 4.966000 
1 1 1   88    1    9 o   20.640   1.6420 -3.549000 3.285000 
1 1 1   88    1   10 o   9.6840   2.5630 -0.2363000 5.126000 
1 1 1   88    1   11 o   13.860   2.4050 3.714000 4.809000 
1 1 1   88    1   12 o   15.350   2.2380 -1.170000 4.477000 
1 1 1   88    1   13 o   10.650   2.4080 6.224000 4.817000 
1 1 1   88    1   14 o   23.460   1.4270 -1.685000 2.853000 
1 1 1   88    1   15 o   10.070   2.3270 -5.503000 4.653000 
1 1 1   88    1   16 o   8.0490   2.3140 -0.3906000 4.628000 
1 1 1   88    1   17 o   10.160   2.2110 -6.099000 4.421000 
1 1 1   88    1   18 o   7.2110   2.1640 -0.9705000 4.327000 
1 1 1   88    1   19 o   11.800   2.1970 -4.304000 4.393000 
1 1 1   88    1   20 o   10.130   2.3270 -1.237000 4.654000 
1 1 1   88    2    0 f   11.250   2.8920 -0.000000 0.000000 
1 1 1   88    2    1 o   10.620   2.0340 -4.327000 4.069000 
1 1 1   88    2    2 o   16.080   1.5240 0.5453000 3.048000 
1 1 1   88    2    3 f   34.070   0.7883 1.361000 1.577000 
1 1 1   88    2    4 o   12.420   1.9250 -3.713000 3.850000 
1 1 1   88    2    5 o   25.890   0.9637 -0.3828000 1.927000 
1 1 1   88    2    6 o   24.730   1.0200 3.662000 2.040000 
1 1 1   88    2    7 o   7.0830   2.0240 -3.121000 4.047000 
1 1 1   88    2    8 o   22.690   1.2880 -2.524000 2.577000 
1 1 1   88    2    9 o   11.490   2.3190 -0.4855000 4.638000 
1 1 1   88    2   10 o   10.100   2.4290 -1.129000 4.858000 
1 1 1   88    2   11 o   10.760   2.3810 -2.700000 4.762000 
1 1 1   88    2   12 o   8.8760   2.3420 -0.5356000 4.683000 
1 1 1   88    2   13 o   10.900   2.3170 -0.7369000 4.634000 
1 1 1   88    2   14 f   8.2850   2.3570 1.912000 4.715000 
1 1 1   88    2   15 o   8.6530   2.3820 0.9964000 4.765000 
1 1 1   88    2   16 o   9.9380   2.4160 1.756000 4.833000 
1 1 1   88    2   17 o   10.140   3.4450      ?      ? 
1 1 1   88    2   18 o   13.700   2.1070 0.5202000 4.214000 
1 1 1   88    2   19 o   11.410   2.2810 0.6288000 4.562000 
1 1 1   88    2   20 o   9.9210   2.2520 4.527000 4.505000 
1 1 1   88    3    0 o   7.8340   3.0050 -0.000000 0.000000 
1 1 1   88    3    1 o   36.800   0.7487 0.6518000 1.497000 
1 1 1   88    3    2 o   24.170   1.0200 -1.245000 2.039000 
1 1 1   88    3    3 o   21.280   1.2020 -2.427000 2.404000 
1 1 1   88    3    4 o   20.910   1.1720 -1.574000 2.345000 
1 1 1   88    3    5 o   26.280   0.9662 -2.310000 1.932000 
1 1 1   88    3    6 o   13.560   1.8460 -5.088000 3.692000 
1 1 1   88    3    7 o   9.9280   2.1960 -0.1392000 4.392000 
1 1 1   88    3    8 f   20.570   1.2680 -5.811000 2.535000 
1 1 1   88    3    9 o   18.680   1.3540 0.9909000 2.708000 
1 1 1   88    3   10 o   13.490   1.9160 -0.6550000 3.833000 
1 1 1   88    3   11 o   10.170   2.1960 1.903000 4.393000 
1 1 1   88    3   12 o   8.0380   2.1710 0.6366000 4.341000 
1 1 1   88    3   13 o   8.4980   2.1840 -0.8639000 4.367000 
1 1 1   88    3   14 o   11.180   2.0410 -3.202000 4.081000 
1 1 1   88    3   15 o   9.3450   2.1600 0.5274000 4.319000 
1 1 1   88    3   16 f   8.5820   2.1020 -3.019000 4.203000 
1 1 1   88    3   17 o   8.7130   2.1010 1.654000 4.202000 
1 1 1   88    3   18 o   8.1820   2.1160 1.673000 4.233000 
1 1 1   88    3   19 o   6.4710   1.9790 -1.177000 3.958000 
1 1 1   88    4    0 o   15.170   2.7340 -0.000000 0.000000 
1 1 1   88    4    1 o   5.9280   1.9010 -2.473000 3.801000 
1 1 1   88    4    2 o   25.030   1.1140 0.5390000 2.227000 
1 1 1   88    4    3 o   12.890   1.9850 -7.671000 3.971000 
1 1 1   88    4    4 o   13.530   1.9920 2.549000 3.983000 
1 1 1   88    4    5 o   15.340   2.3320      ?      ? 
1 1 1   88    4    6 o   18.510   1.5940 0.4390000 3.189000 
1 1 1   88    4    7 o   11.530   2.2190 -2.937000 4.438000 
1 1 1   88    4    8 o   18.900   1.3440 1.049000 2.688000 
1 1 1   88    4    9 o   7.1610   1.9520 4.880000 3.904000 
1 1 1   88    4   10 o   23.690   1.0940 1.113000 2.187000 
1 1 1   88    4   11 o   14.360   1.8340 1.405000 3.669000 
1 1 1   88    4   12 o   15.260   1.6680 -0.3519000 3.337000 
1 1 1   88    4   13 f   10.850   2.0710 3.054000 4.142000 
1 1 1   88    4   14 o   14.900   1.6630 -1.176000 3.326000 
1 1 1   88    4   15 o   6.0740   1.9040 -1.208000 3.807000 
1 1 1   88    4   16 o   12.160   1.9130 2.112000 3.826000 
1 1 1   88    4   17 f   14.090   1.6900 -1.221000 3.381000 
1 1 1   88    4   18 o   7.2370   2.0120 1.140000 4.024000 
1 1 1   88    4   19 o   10.970   1.8600 5.339000 3.719000 
1 1 1   88    5    0 o   21.150   2.0160 -0.000000 0.000000 
1 1 1   88    5    1 o   20.260   1.4490 1.902000 2.898000 
1 1 1   88    5    2 o   16.440   1.8880 -2.377000 3.775000 
1 1 1   88    5    3 o   15.070   2.0310 -8.868000 4.061000 
1 1 1   88    5    4 o   15.690   1.9550 6.462000 3.911000 
1 1 1   88    5    5 o   7.0660   2.1820 -0.4853000 4.364000 
1 1 1   88    5    6 o   9.0220   2.4000 1.119000 4.800000 
1 1 1   88    5    7 o   11.480   2.3560 1.532000 4.713000 
1 1 1   88    5    8 o   16.490   1.8400 1.809000 3.680000 
1 1 1   88    5    9 o   12.050   2.1950 -6.032000 4.391000 
1 1 1   88    5   10 o   14.650   2.0660 0.7526000 4.132000 
1 1 1   88    5   11 o   18.430   1.6290 2.225000 3.258000 
1 1 1   88    5   12 o   23.260   1.3170 3.760000 2.635000 
1 1 1   88    5   13 o   9.6320   2.0980 -6.984000 4.196000 
1 1 1   88    5   14 f   8.5150   2.3370 0.8126000E-01 4.674000 
1 1 1   88    5   15 o   10.120   2.1850 -4.719000 4.371000 
1 1 1   88    5   16 o   9.5070   2.2130 1.489000 4.426000 
1 1 1   88    5   17 o   6.7080   2.0350 -0.2140000 4.069000 
1 1 1   88    5   18 o   14.200   1.7720 -2.400000 3.544000 
1 1 1   88    5   19 o   7.9880   2.1410 0.6937000 4.283000 
1 1 1   88    6    0 o   19.440   2.1360 -0.000000 0.000000 
1 1 1   88    6    1 f   10.330   2.3240 3.485000 4.647000 
1 1 1   88    6    2 o   7.8800   2.1590 4.959000 4.318000 
1 1 1   88    6    3 o   13.660   2.2080 2.479000 4.416000 
1 1 1   88    6    4 o   12.910   2.2390 0.9720000 4.479000 
1 1 1   88    6    5 o   15.080   2.0170 2.496000 4.035000 
1 1 1   88    6    6 o   8.1670   2.3250 -1.126000 4.650000 
1 1 1   88    6    7 o   10.410   3.5170      ?      ? 
1 1 1   88    6    8 o   13.640   1.9730 10.60000 3.947000 
1 1 1   88    6    9 o   6.9420   2.1570 0.1956000 4.315000 
1 1 1   88    6   10 o   7.8880   2.2550 3.037000 4.511000 
1 1 1   88    6   11 o   15.790   1.9880 -3.608000 3.976000 
1 1 1   88    6   12 o   8.7070   2.3460 1.047000 4.693000 
1 1 1   88    6   13 o   14.530   2.1020 3.696000 4.203000 
1 1 1   88    6   14 o   15.970   1.8710 1.172000 3.743000 
1 1 1   88    6   15 o   10.140   2.2920 3.893000 4.585000 
1 1 1   88    6   16 o   6.3950   2.0330 0.7791000 4.065000 
1 1 1   88    6   17 f   9.1590   2.3360 0.8877000 4.672000 
1 1 1   88    6   18 o   12.730   2.0860 -5.159000 4.172000 
1 1 1   88    7    0 o   6.1670   2.8600 -0.000000 0.000000 
1 1 1   88    7    1 o   19.620   1.6250 -2.106000 3.250000 
1 1 1   88    7    2 o   16.500   1.9780 -8.552000 3.956000 
1 1 1   88    7    3 f   10.570   2.4490 1.053000 4.898000 
1 1 1   88    7    4 o   18.950   1.6370 -0.5056000E-01 3.274000 
1 1 1   88    7    5 o   8.4870   2.3180 -2.550000 4.636000 
1 1 1   88    7    6 o   13.200   2.2390 2.782000 4.478000 
1 1 1   88    7    7 o   19.140   1.6180 -1.575000 3.237000 
1 1 1   88    7    8 o   10.520   2.3300 -3.487000 4.660000 
1 1 1   88    7    9 o   9.4400   2.3930 2.221000 4.787000 
1 1 1   88    7   10 o   19.220   1.5960 -0.1025000 3.191000 
1 1 1   88    7   11 o   5.9720   1.9760 -1.269000 3.953000 
1 1 1   88    7   12 o   6.6760   2.1030 1.600000 4.205000 
1 1 1   88    7   13 o   7.8400   2.1470 -4.863000 4.293000 
1 1 1   88    7   14 o   8.6530   2.1800 -5.054000 4.359000 
1 1 1   88    7   15 o   6.5350   2.0760 0.8213000 4.153000 
1 1 1   88    7   16 o   7.1440   2.1650 1.504000 4.330000 
1 1 1   88    7   17 o   9.9910   2.3440 -2.496000 4.688000 
1 1 1   88    8    0 o   20.960   2.1030 -0.000000 0.000000 
1 1 1   88    8    1 o   20.530   1.5420 -3.832000 3.084000 
1 1 1   88    8    2 o   12.980   2.2640 3.520000 4.528000 
1 1 1   88    8    3 o   10.470   2.4130 -0.6793000 4.827000 
1 1 1   88    8    4 o   11.900   2.2720 4.164000 4.544000 
1 1 1   88    8    5 o   9.7610   2.3830 -1.604000 4.765000 
1 1 1   88    8    6 o   9.1210   2.3880 1.503000 4.775000 
1 1 1   88    8    7 o   13.870   2.2000 -0.7621000 4.401000 
1 1 1   88    8    8 o   21.060   1.4780 -0.2201000 2.956000 
1 1 1   88    8    9 o   11.180   2.4170 2.663000 4.835000 
1 1 1   88    8   10 o   13.220   2.2570 -3.755000 4.514000 
1 1 1   88    8   11 o   14.190   2.2080 -2.847000 4.416000 
1 1 1   88    8   12 o   6.9240   2.1760 -0.9786000 4.352000 
1 1 1   88    8   13 o   12.790   2.2270 2.117000 4.454000 
1 1 1   88    8   14 o   11.330   2.2110 -5.221000 4.423000 
1 1 1   88    8   15 o   6.2890   2.0180 1.928000 4.035000 
1 1 1   88    8   16 f   6.9870   2.1570 -0.8024000 4.314000 
1 1 1   88    9    0 o   8.3600   3.3150 -0.000000 0.000000 
1 1 1   88    9    1 o   10.290   2.3950 -2.999000 4.790000 
1 1 1   88    9    2 o   18.010   1.7390 -1.742000 3.478000 
1 1 1   88    9    3 o   6.7070   2.1160 1.695000 4.232000 
1 1 1   88    9    4 o   10.210   2.4130 -1.938000 4.827000 
1 1 1   88    9    5 o   8.4180   2.3110 2.184000 4.622000 
1 1 1   88    9    6 o   8.1890   2.3350 -0.1014000 4.670000 
1 1 1   88    9    7 o   11.940   2.3540 2.277000 4.709000 
1 1 1   88    9    8 o   9.1280   2.3120 -3.605000 4.623000 
1 1 1   88    9    9 o   7.7040   2.2220 -3.451000 4.444000 
1 1 1   88    9   10 o   9.1160   2.3620 1.920000 4.725000 
1 1 1   88    9   11 o   9.0890   2.3840 0.7573000 4.767000 
1 1 1   88    9   12 o   7.3740   2.1950 1.311000 4.391000 
1 1 1   88    9   13 o   7.7610   2.2570 0.8191000E-01 4.514000 
1 1 1   88    9   14 o   8.4240   2.2920 -2.590000 4.584000 
1 1 1   88    9   15 o   9.4110   2.3560 1.839000 4.712000 
1 1 1   88   10    0 o   8.3400   3.3090 -0.000000 0.000000 
1 1 1   88   10    1 o   16.530   1.8640 1.044000 3.727000 
1 1 1   88   10    2 o   17.910   1.7780 4.939000 3.557000 
1 1 1   88   10    3 o   11.240   2.4230 -1.956000 4.845000 
1 1 1   88   10    4 o   11.110   2.4250 1.986000 4.850000 
1 1 1   88   10    5 o   8.5250   2.3720 0.3169000 4.743000 
1 1 1   88   10    6 o   8.0320   2.2280 -2.696000 4.456000 
1 1 1   88   10    7 o   7.9530   2.2890 1.952000 4.579000 
1 1 1   88   10    8 o   14.620   2.1420 1.344000 4.285000 
1 1 1   88   10    9 o   9.0460   2.3920 -0.1559000 4.783000 
1 1 1   88   10   10 o   8.6630   2.3020 -2.136000 4.603000 
1 1 1   88   10   11 o   6.1750   2.0060 -0.1660000 4.013000 
1 1 1   88   10   12 f   12.970   2.2330 -1.150000 4.467000 
1 1 1   88   10   13 o   6.5760   2.0880 -0.3343000 4.177000 
1 1 1   88   10   14 o   10.460   2.2390 -5.950000 4.478000 
1 1 1   88   11    0 o   9.4550   3.4640 -0.000000 0.000000 
1 1 1   88   11    1 o   6.0110   1.9890 -0.1767000 3.977000 
1 1 1   88   11    2 o   13.470   2.1890 4.254000 4.378000 
1 1 1   88   11    3 o   6.3020   2.0420 0.9216000 4.084000 
1 1 1   88   11    4 o   6.6900   2.1110 -0.6281000 4.222000 
1 1 1   88   11    5 o   8.8540   2.3270 3.331000 4.654000 
1 1 1   88   11    6 o   16.110   1.8860 3.053000 3.771000 
1 1 1   88   11    7 o   13.110   2.2050 3.586000 4.410000 
1 1 1   88   11    8 o   8.6400   2.2970 -2.731000 4.593000 
1 1 1   88   11    9 o   7.8380   2.2570 -1.819000 4.514000 
1 1 1   88   11   10 o   10.320   2.2670 -4.700000 4.534000 
1 1 1   88   11   11 f   10.070   2.4160 -2.588000 4.831000 
1 1 1   88   11   12 o   8.5960   2.3590 1.113000 4.719000 
1 1 1   88   12    0 o   8.9120   3.4010 -0.000000 0.000000 
1 1 1   88   12    1 o   7.1220   2.1930 1.042000 4.385000 
1 1 1   88   12    2 o   14.910   2.0730 1.145000 4.147000 
1 1 1   88   12    3 o   11.940   2.2760 3.339000 4.553000 
1 1 1   88   12    4 o   6.4410   2.0390 2.186000 4.077000 
1 1 1   88   12    5 o   7.7620   2.2180 2.411000 4.437000 
1 1 1   88   12    6 o   8.4540   2.3290 1.508000 4.658000 
1 1 1   88   12    7 o   11.270   2.2430 5.605000 4.485000 
1 1 1   88   12    8 o   11.480   2.3030 -4.299000 4.605000 
1 1 1   88   12    9 o   13.800   2.2170 -1.976000 4.435000 
1 1 1   88   12   10 o   8.0980   2.2350 -3.745000 4.470000 
1 1 1   88   13    0 o   8.9280   3.4200 -0.000000 0.000000 
1 1 1   88   13    1 o   7.5510   2.2350 2.117000 4.471000 
1 1 1   88   13    2 o   11.540   2.2010 6.858000 4.402000 
1 1 1   88   13    3 o   14.070   2.1690 0.2107000 4.339000 
1 1 1   88   13    4 o   9.3790   2.4190 0.4799000E-01 4.838000 
1 1 1   88   13    5 o   8.4200   2.3220 0.1849000 4.645000 
1 1 1   88   13    6 o   11.510   2.3800 -1.906000 4.760000 
1 1 1   88   13    7 o   12.090   2.2480 3.197000 4.497000 
1 1 1   88   13    8 o   6.4480   2.0860 0.6869000 4.172000 
1 1 1   88   14    0 f   6.0810   2.8340 -0.000000 0.000000 
1 1 1   88   14    1 f   9.9030   2.4140 2.101000 4.827000 
1 1 1   88   14    2 o   10.120   3.4700      ?      ? 
1 1 1   88   14    3 o   9.9650   2.3750 5.577000 4.750000 
1 1 1   89    0    1 o   19.450   2.3930 -0.000000 0.000000 
1 1 1   89    0    2 o   13.710   3.4910 -0.000000 0.000000 
1 1 1   89    0    3 o   22.620   2.1210 -0.000000 0.000000 
1 1 1   89    0    4 o   11.690   3.6980 -0.000000 0.000000 
1 1 1   89    0    5 o   20.180   2.3540 -0.000000 0.000000 
1 1 1   89    0    6 o   29.550   1.7180 -0.000000 0.000000 
1 1 1   89    0    7 o   9.1160   3.5550 -0.000000 0.000000 
1 1 1   89    0    8 o   15.320   3.1370 -0.000000 0.000000 
1 1 1   89    0    9 o   7.8400   3.3340 -0.000000 0.000000 
1 1 1   89    0   10 o   10.950   3.6510 -0.000000 0.000000 
1 1 1   89    0   11 o   12.900   3.5160 -0.000000 0.000000 
1 1 1   89    0   12 o   11.000   3.7020 -0.000000 0.000000 
1 1 1   89    0   13 o   6.5040   3.0030 -0.000000 0.000000 
1 1 1   89    0   14 o   10.880   3.5370 -0.000000 0.000000 
1 1 1   89    0   15 o   6.4690   2.9570 -0.000000 0.000000 
1 1 1   89    0   16 o   10.610   3.4000 -0.000000 0.000000 
1 1 1   89    0   17 f   8.0720   3.2880 -0.000000 0.000000 
1 1 1   89    0   19 o   6.7770   2.9920 -0.000000 0.000000 
1 1 1   89    1    0 o   19.980   2.3740 -0.000000 0.000000 
1 1 1   89    1    1 o   33.630   1.1070 1.069000 2.215000 
1 1 1   89    1    2 o   18.380   1.9860 -0.3369000 3.972000 
1 1 1   89    1    3 o   13.360   2.4720 -1.471000 4.943000 
1 1 1   89    1    4 o   24.510   1.4700 -2.445000 2.941000 
1 1 1   89    1    5 o   9.6400   2.1610 -8.345000 4.322000 
1 1 1   89    1    6 o   12.120   2.5270 -2.892000 5.055000 
1 1 1   89    1    7 o   13.300   2.4400 4.664000 4.881000 
1 1 1   89    1    8 o   7.1940   2.2650 -0.7534000 4.530000 
1 1 1   89    1    9 o   14.640   2.2640 -1.731000 4.529000 
1 1 1   89    1   10 o   9.5350   2.5240 1.512000 5.047000 
1 1 1   89    1   11 o   22.140   1.5520 -4.325000 3.105000 
1 1 1   89    1   12 o   13.170   2.4470 -2.509000 4.893000 
1 1 1   89    1   13 o   24.440   1.3720 1.577000 2.744000 
1 1 1   89    1   14 o   8.6330   2.4410 -2.013000 4.882000 
1 1 1   89    1   15 o   8.5950   2.3800 0.4700000 4.760000 
1 1 1   89    1   16 o   11.550   2.3920 1.747000 4.784000 
1 1 1   89    1   17 o   9.1670   2.2860 4.124000 4.573000 
1 1 1   89    1   18 o   8.4080   2.2660 -2.658000 4.533000 
1 1 1   89    1   19 o   8.6480   1.9370 -7.616000 3.874000 
1 1 1   89    2    0 o   19.410   1.8310 -0.000000 0.000000 
1 1 1   89    2    1 o   9.1370   2.1290 -2.887000 4.257000 
1 1 1   89    2    2 o   42.550   0.7168 0.9868000 1.434000 
1 1 1   89    2    3 o   30.650   0.8520 -0.4757000 1.704000 
1 1 1   89    2    4 o   23.230   1.0720 -1.026000 2.144000 
1 1 1   89    2    5 o   26.660   0.9724 1.848000 1.945000 
1 1 1   89    2    6 o   6.9860   2.0620 -0.2660000 4.124000 
1 1 1   89    2    7 o   24.830   1.2450 0.7833000E-01 2.491000 
1 1 1   89    2    8 o   20.320   1.4910 1.071000 2.983000 
1 1 1   89    2    9 o   16.540   1.8210 2.240000 3.641000 
1 1 1   89    2   10 o   8.5830   2.2650 2.906000 4.529000 
1 1 1   89    2   11 o   9.4660   2.4010 -1.600000 4.802000 
1 1 1   89    2   12 o   7.1590   2.1580 -2.165000 4.317000 
1 1 1   89    2   13 o   12.620   2.1980 -1.810000 4.397000 
1 1 1   89    2   14 o   10.440   2.4790 1.557000 4.958000 
1 1 1   89    2   15 o   10.150   2.4260 -1.261000 4.852000 
1 1 1   89    2   16 o   9.0200   2.2540 -4.645000 4.507000 
1 1 1   89    2   17 o   12.480   2.2920 1.503000 4.584000 
1 1 1   89    2   18 o   10.860   2.3370 2.563000 4.674000 
1 1 1   89    2   19 o   8.1380   2.2920 -0.1789000 4.584000 
1 1 1   89    3    0 o   50.120   0.9572 -0.000000 0.000000 
1 1 1   89    3    1 f   23.230   1.0720 -0.8355000E-01 2.143000 
1 1 1   89    3    2 o   9.5080   2.0570 4.842000 4.115000 
1 1 1   89    3    3 o   14.480   1.7960 -0.8577000 3.591000 
1 1 1   89    3    4 o   15.600   1.6200 1.004000 3.241000 
1 1 1   89    3    5 o   8.7920   2.2070 0.7800000 4.413000 
1 1 1   89    3    6 o   5.9430   1.8940 0.8764000 3.787000 
1 1 1   89    3    7 o   11.300   2.1160 -1.074000 4.232000 
1 1 1   89    3    8 f   9.0000   2.1990 -1.089000 4.399000 
1 1 1   89    3    9 o   21.790   1.1430 0.6568000 2.286000 
1 1 1   89    3   10 o   8.2270   2.1020 -3.852000 4.205000 
1 1 1   89    3   11 f   15.250   1.7110 1.154000 3.422000 
1 1 1   89    3   12 o   14.300   1.7560 1.840000 3.513000 
1 1 1   89    3   13 o   11.290   2.0720 2.351000 4.145000 
1 1 1   89    3   14 o   8.2750   2.1670 -0.2536000 4.333000 
1 1 1   89    3   15 o   9.8190   2.0060 -5.238000 4.011000 
1 1 1   89    3   16 o   6.4910   1.9770 0.6117000 3.955000 
1 1 1   89    3   17 o   15.340   1.7140 -2.740000 3.428000 
1 1 1   89    3   18 o   6.4750   1.9710 0.8085000 3.943000 
1 1 1   89    3   19 o   6.0520   1.9040 0.4525000 3.807000 
1 1 1   89    4    0 o   8.1280   3.0460 -0.000000 0.000000 
1 1 1   89    4    1 o   8.3200   2.1360 -2.037000 4.272000 
1 1 1   89    4    2 o   5.1200   1.7210 1.470000 3.443000 
1 1 1   89    4    3 o   8.4460   2.1470 2.451000 4.295000 
1 1 1   89    4    4 o   15.700   1.5960 -0.1800000 3.192000 
1 1 1   89    4    5 f   10.210   2.1770 1.395000 4.355000 
1 1 1   89    4    6 o   10.280   2.1290 4.011000 4.257000 
1 1 1   89    4    7 o   26.290   0.9891 -0.8490000 1.978000 
1 1 1   89    4    8 o   14.520   1.7750 0.6888000 3.549000 
1 1 1   89    4    9 o   11.180   2.0620 -5.266000 4.124000 
1 1 1   89    4   10 o   10.120   2.1250 3.600000 4.250000 
1 1 1   89    4   11 o   7.3150   2.0700 -3.027000 4.140000 
1 1 1   89    4   12 o   6.8570   2.0410 -0.2630000 4.082000 
1 1 1   89    4   13 o   14.070   1.7670 -2.946000 3.534000 
1 1 1   89    4   14 f   7.4530   2.0940 -1.674000 4.188000 
1 1 1   89    4   15 f   11.810   1.9600 -2.569000 3.919000 
1 1 1   89    4   16 o   12.270   1.8070 8.680000 3.614000 
1 1 1   89    4   17 o   7.5170   2.0190 2.803000 4.037000 
1 1 1   89    4   18 o   7.9830   2.0250 -3.574000 4.050000 
1 1 1   89    4   19 o   16.790   1.5190 0.1251000 3.038000 
1 1 1   89    5    0 o   6.9660   3.0350 -0.000000 0.000000 
1 1 1   89    5    1 o   10.070   2.4010 2.347000 4.803000 
1 1 1   89    5    2 o   6.9890   2.1760 -0.5751000E-01 4.352000 
1 1 1   89    5    3 o   11.370   2.3860 -1.424000 4.772000 
1 1 1   89    5    4 o   31.380   1.0080 -2.728000 2.016000 
1 1 1   89    5    5 o   18.990   1.5930 0.2744000 3.185000 
1 1 1   89    5    6 o   10.410   2.2240 -6.433000 4.447000 
1 1 1   89    5    7 o   9.1990   2.3950 -2.199000 4.790000 
1 1 1   89    5    8 o   12.790   2.2490 -2.903000 4.497000 
1 1 1   89    5    9 o   24.590   1.2680 4.568000 2.537000 
1 1 1   89    5   10 f   9.0150   2.3820 -0.1061000 4.764000 
1 1 1   89    5   11 o   6.9830   2.1420 1.969000 4.283000 
1 1 1   89    5   12 o   12.080   2.3140 1.818000 4.629000 
1 1 1   89    5   13 o   9.2790   2.3720 0.2003000 4.745000 
1 1 1   89    5   14 o   11.870   2.1740 -1.784000 4.347000 
1 1 1   89    5   15 o   12.280   2.0390 -5.962000 4.078000 
1 1 1   89    5   16 f   5.6740   1.8510 -0.5247000 3.703000 
1 1 1   89    5   17 f   13.830   1.8850 1.402000 3.771000 
1 1 1   89    5   18 f   5.9800   1.9120 -0.1944000 3.825000 
1 1 1   89    6    0 o   20.130   2.1460 -0.000000 0.000000 
1 1 1   89    6    1 o   17.530   1.7750 0.2136000 3.549000 
1 1 1   89    6    2 o   18.350   1.6560 -2.260000 3.312000 
1 1 1   89    6    3 f   23.170   1.2800 0.3425000 2.561000 
1 1 1   89    6    4 o   9.2000   2.3490 2.487000 4.698000 
1 1 1   89    6    5 o   22.450   1.3690 2.381000 2.738000 
1 1 1   89    6    6 o   19.080   1.6250 -1.917000 3.251000 
1 1 1   89    6    7 o   9.2390   2.4260 -0.1287000 4.852000 
1 1 1   89    6    8 o   14.310   2.1500 -3.771000 4.299000 
1 1 1   89    6    9 o   11.280   2.3830 -0.1003000E-01 4.767000 
1 1 1   89    6   10 o   15.270   2.0250 5.508000 4.051000 
1 1 1   89    6   11 o   12.510   2.2460 5.520000 4.492000 
1 1 1   89    6   12 o   10.270   2.3080 4.910000 4.615000 
1 1 1   89    6   13 o   17.810   1.7790 5.007000 3.559000 
1 1 1   89    6   14 o   13.630   2.1100 5.219000 4.220000 
1 1 1   89    6   15 o   7.3930   2.1850 -2.041000 4.371000 
1 1 1   89    6   16 o   8.9330   2.2040 4.763000 4.408000 
1 1 1   89    6   17 o   7.0900   2.1650 0.6179000 4.330000 
1 1 1   89    7    0 o   9.4690   3.4800 -0.000000 0.000000 
1 1 1   89    7    1 o   20.300   1.5230 0.5322000E-01 3.046000 
1 1 1   89    7    2 o   8.4020   2.2740 3.098000 4.547000 
1 1 1   89    7    3 o   18.790   1.6160 0.6309000 3.231000 
1 1 1   89    7    4 o   18.010   1.7080 2.345000 3.415000 
1 1 1   89    7    5 o   15.990   1.9540 7.377000 3.908000 
1 1 1   89    7    6 o   8.9620   2.3570 -2.204000 4.714000 
1 1 1   89    7    7 o   12.490   2.3210 -2.442000 4.642000 
1 1 1   89    7    8 o   17.620   1.7480 -0.3954000 3.496000 
1 1 1   89    7    9 o   8.1400   2.2510 3.146000 4.503000 
1 1 1   89    7   10 o   13.140   2.2900 -1.662000 4.580000 
1 1 1   89    7   11 o   8.9540   2.4150 0.9114000 4.830000 
1 1 1   89    7   12 o   10.300   2.4180 -3.021000 4.836000 
1 1 1   89    7   13 o   6.7680   2.1240 -1.691000 4.249000 
1 1 1   89    7   14 o   14.460   2.0270 3.767000 4.054000 
1 1 1   89    7   15 o   12.910   2.2510 -2.180000 4.501000 
1 1 1   89    7   16 o   8.4240   2.3100 1.317000 4.620000 
1 1 1   89    7   17 o   8.0310   2.2900 1.014000 4.579000 
1 1 1   89    8    0 f   16.130   2.6610 -0.000000 0.000000 
1 1 1   89    8    1 o   17.370   1.7460 -0.3868000 3.491000 
1 1 1   89    8    2 o   20.250   2.0360      ?      ? 
1 1 1   89    8    3 o   15.930   1.9700 -3.692000 3.941000 
1 1 1   89    8    4 o   11.140   2.3240 -5.117000 4.649000 
1 1 1   89    8    5 o   7.6740   2.2520 -0.8317000 4.504000 
1 1 1   89    8    6 o   10.490   2.4030 -1.491000 4.806000 
1 1 1   89    8    7 f   12.750   2.1910 -6.535000 4.381000 
1 1 1   89    8    8 o   10.190   2.4420 0.1022000 4.884000 
1 1 1   89    8    9 f   22.750   1.3900 -0.9963000 2.779000 
1 1 1   89    8   10 o   10.180   2.4390 2.101000 4.879000 
1 1 1   89    8   11 o   12.920   2.1760 -7.245000 4.352000 
1 1 1   89    8   12 o   7.2730   2.1970 -2.373000 4.395000 
1 1 1   89    8   13 o   7.0250   2.1650 -1.566000 4.330000 
1 1 1   89    8   14 o   6.2320   2.0120 -0.8341000 4.024000 
1 1 1   89    8   15 o   6.2990   2.0320 1.478000 4.063000 
1 1 1   89    8   16 o   12.420   2.2560 -1.826000 4.513000 
1 1 1   89    9    0 o   12.230   3.4000 -0.000000 0.000000 
1 1 1   89    9    1 o   12.020   2.3610 -3.902000 4.723000 
1 1 1   89    9    2 f   11.050   2.4010 -0.3243000 4.801000 
1 1 1   89    9    3 o   11.210   2.3990 -1.291000 4.797000 
1 1 1   89    9    4 o   11.190   2.4020 2.599000 4.804000 
1 1 1   89    9    5 o   8.8120   2.3850 -0.3174000E-01 4.770000 
1 1 1   89    9    6 o   17.430   1.7820 0.2326000 3.565000 
1 1 1   89    9    7 o   12.500   2.3530 -1.467000 4.706000 
1 1 1   89    9    8 o   15.860   2.0240 9.091000 4.048000 
1 1 1   89    9    9 o   6.7950   2.1420 0.8074000E-01 4.284000 
1 1 1   89    9   10 f   7.5770   2.2620 1.130000 4.524000 
1 1 1   89    9   11 o   9.8370   2.3880 -1.279000 4.776000 
1 1 1   89    9   12 o   9.5520   2.3550 0.8196000 4.710000 
1 1 1   89    9   13 o   10.280   2.3590 1.961000 4.718000 
1 1 1   89    9   14 o   8.8510   2.2870 3.596000 4.573000 
1 1 1   89    9   15 o   9.2730   2.4090 0.9823000E-01 4.818000 
1 1 1   89   10    0 o   5.7960   2.7510 -0.000000 0.000000 
1 1 1   89   10    1 o   8.3440   2.3590 0.5261000 4.718000 
1 1 1   89   10    2 o   8.5970   2.3000 2.984000 4.599000 
1 1 1   89   10    3 o   6.8620   2.1570 1.014000 4.314000 
1 1 1   89   10    4 o   7.9060   2.2970 1.707000 4.593000 
1 1 1   89   10    5 o   18.660   1.6440 -0.5407000 3.289000 
1 1 1   89   10    6 o   7.5480   3.2060      ?      ? 
1 1 1   89   10    7 o   8.1810   2.3270 1.099000 4.654000 
1 1 1   89   10    8 o   8.0760   2.3180 -0.4703000 4.636000 
1 1 1   89   10    9 o   6.8290   2.1010 2.562000 4.203000 
1 1 1   89   10   10 f   12.710   2.0370 8.706000 4.075000 
1 1 1   89   10   11 o   12.170   2.1790 5.846000 4.359000 
1 1 1   89   10   12 o   7.9450   2.2930 0.2524000 4.586000 
1 1 1   89   10   13 o   6.4780   2.0340 2.488000 4.067000 
1 1 1   89   11    0 o   7.5790   3.2150 -0.000000 0.000000 
1 1 1   89   11    1 o   11.440   2.4330 -0.3689000 4.866000 
1 1 1   89   11    2 o   9.3550   2.1700 -6.220000 4.341000 
1 1 1   89   11    3 o   6.5620   2.0840 -1.875000 4.169000 
1 1 1   89   11    4 o   5.8720   1.9450 -0.4420000 3.891000 
1 1 1   89   11    5 f   12.340   2.1820 -3.428000 4.364000 
1 1 1   89   11    6 o   12.170   2.2830 3.191000 4.566000 
1 1 1   89   11    7 o   6.7170   2.0520 3.517000 4.104000 
1 1 1   89   11    8 o   12.260   2.3120 -0.1707000 4.624000 
1 1 1   89   11    9 o   8.7480   2.2580 -4.540000 4.517000 
1 1 1   89   11   10 o   6.9440   2.1600 -1.143000 4.321000 
1 1 1   89   11   11 f   9.4720   2.4160 -0.6426000 4.832000 
1 1 1   89   11   12 o   7.8480   2.3220 -1.312000 4.645000 
1 1 1   89   12    0 o   5.1510   2.5050 -0.000000 0.000000 
1 1 1   89   12    1 o   7.4480   2.2050 2.382000 4.411000 
1 1 1   89   12    2 o   9.4840   2.3270 -3.019000 4.653000 
1 1 1   89   12    3 o   10.540   2.3290 -2.816000 4.658000 
1 1 1   89   12    4 o   13.410   2.1240 -2.514000 4.247000 
1 1 1   89   12    5 o   7.7830   2.1910 3.250000 4.382000 
1 1 1   89   12    6 o   11.210   2.3030 -1.133000 4.605000 
1 1 1   89   12    7 o   15.030   2.0130 3.920000 4.026000 
1 1 1   89   12    8 o   9.9930   2.4490 0.3584000 4.897000 
1 1 1   89   12    9 o   6.6810   2.0840 -1.956000 4.168000 
1 1 1   89   13    1 o   6.8150   2.1390 0.3099000 4.278000 
1 1 1   89   13    2 o   7.8090   2.2060 -3.312000 4.412000 
1 1 1   89   13    3 o   15.270   2.0280 5.364000 4.055000 
1 1 1   89   13    4 o   7.5710   2.2010 2.594000 4.402000 
1 1 1   89   13    5 o   7.5440   2.1770 -3.137000 4.354000 
1 1 1   89   13    6 o   10.950   2.3060 3.373000 4.611000 
1 1 1   90    0    0 o   16.320   4.1960 -0.000000 0.000000 
1 1 1   90    0    1 o   9.3530   3.5990 -0.000000 0.000000 
1 1 1   90    0    2 o   6.3920   2.9920 -0.000000 0.000000 
1 1 1   90    0    3 o   17.130   2.9670 -0.000000 0.000000 
1 1 1   90    0    4 o   6.9370   3.1320 -0.000000 0.000000 
1 1 1   90    0    5 o   11.880   3.6090 -0.000000 0.000000 
1 1 1   90    0    6 o   12.490   3.6080 -0.000000 0.000000 
1 1 1   90    0    7 o   10.890   3.6940 -0.000000 0.000000 
1 1 1   90    0    8 o   23.960   1.9630 -0.000000 0.000000 
1 1 1   90    0    9 o   12.770   3.4630 -0.000000 0.000000 
1 1 1   90    0   10 o   8.7450   3.4830 -0.000000 0.000000 
1 1 1   90    0   11 o   12.850   3.5940 -0.000000 0.000000 
1 1 1   90    0   12 o   6.2940   2.9360 -0.000000 0.000000 
1 1 1   90    0   13 o   7.2150   3.1930 -0.000000 0.000000 
1 1 1   90    0   14 o   12.710   3.4330 -0.000000 0.000000 
1 1 1   90    0   15 o   17.590   2.4020 -0.000000 0.000000 
1 1 1   90    0   16 o   8.5340   3.3780 -0.000000 0.000000 
1 1 1   90    0   17 o   8.7820   3.3960 -0.000000 0.000000 
1 1 1   90    0   18 f   6.5150   2.9560 -0.000000 0.000000 
1 1 1   90    0   19 o   8.4340   3.2910 -0.000000 0.000000 
1 1 1   90    1    0 o   12.600   3.4770 -0.000000 0.000000 
1 1 1   90    1    1 o   8.4390   2.4270 -1.547000 4.853000 
1 1 1   90    1    2 o   12.650   2.4750 -3.432000 4.951000 
1 1 1   90    1    3 o   15.400   2.2730 -5.426000 4.547000 
1 1 1   90    1    4 o   15.610   2.2880 0.4015000 4.577000 
1 1 1   90    1    5 o   22.370   1.5590 2.289000 3.117000 
1 1 1   90    1    6 o   26.160   1.3510 0.6782000 2.702000 
1 1 1   90    1    7 o   9.5180   2.5180 2.145000 5.036000 
1 1 1   90    1    8 o   8.2430   2.3850 -2.765000 4.769000 
1 1 1   90    1    9 o   6.9920   2.2210 -0.1498000 4.443000 
1 1 1   90    1   10 o   15.610   2.2060 -3.721000 4.411000 
1 1 1   90    1   11 o   7.6720   2.3420 1.052000 4.685000 
1 1 1   90    1   12 o   9.6050   2.5180 0.5399000E-01 5.036000 
1 1 1   90    1   13 o   12.170   2.4780 0.6027000 4.956000 
1 1 1   90    1   14 o   13.610   2.3310 1.916000 4.661000 
1 1 1   90    1   15 o   8.6190   2.2740 4.851000 4.548000 
1 1 1   90    1   16 o   11.640   2.3510 -2.834000 4.702000 
1 1 1   90    1   17 o   8.0540   2.3190 0.7283000E-01 4.638000 
1 1 1   90    1   18 o   11.740   2.2280 -6.128000 4.456000 
1 1 1   90    1   19 o   7.2610   2.1550 2.110000 4.310000 
1 1 1   90    2    0 o   12.080   2.8560 -0.000000 0.000000 
1 1 1   90    2    1 o   32.720   0.8120 1.642000 1.624000 
1 1 1   90    2    2 o   7.3200   2.0960 1.392000 4.193000 
1 1 1   90    2    3 o   14.890   1.6850 1.737000 3.370000 
1 1 1   90    2    4 o   19.940   1.2900 -1.884000 2.581000 
1 1 1   90    2    5 o   33.490   0.8101 0.6433000 1.620000 
1 1 1   90    2    6 o   7.7670   2.2470 -3.448000 4.493000 
1 1 1   90    2    7 o   9.7080   2.4070 -4.104000 4.813000 
1 1 1   90    2    8 o   9.2960   2.3600 -4.004000 4.720000 
1 1 1   90    2    9 o   25.740   1.1570 1.803000 2.314000 
1 1 1   90    2   10 o   16.940   1.8490 4.065000 3.698000 
1 1 1   90    2   11 o   15.340   1.8860 -3.028000 3.773000 
1 1 1   90    2   12 o   10.820   2.3130 -2.052000 4.626000 
1 1 1   90    2   13 o   8.4060   2.3290 -2.945000 4.658000 
1 1 1   90    2   14 o   8.1010   2.3530 0.3215000 4.705000 
1 1 1   90    2   15 o   12.710   2.2560 -1.256000 4.513000 
1 1 1   90    2   16 o   11.080   2.3830 1.889000 4.765000 
1 1 1   90    2   17 o   14.160   2.2100 -3.622000 4.421000 
1 1 1   90    2   18 o   6.7260   2.1050 1.903000 4.211000 
1 1 1   90    2   19 o   8.3550   2.3160 1.648000 4.633000 
1 1 1   90    3    0 o   6.4100   2.8240 -0.000000 0.000000 
1 1 1   90    3    1 o   22.720   1.1060 -1.636000 2.212000 
1 1 1   90    3    2 o   15.710   1.6620 -4.515000 3.324000 
1 1 1   90    3    3 o   6.2700   1.9690 0.9865000E-01 3.939000 
1 1 1   90    3    4 o   23.490   1.0700 -2.492000 2.141000 
1 1 1   90    3    5 o   6.5570   1.9980 0.9929000 3.997000 
1 1 1   90    3    6 o   21.490   1.2120 -4.972000 2.425000 
1 1 1   90    3    7 f   17.110   1.4810 -0.9031000 2.963000 
1 1 1   90    3    8 o   7.3440   2.0580 -2.939000 4.115000 
1 1 1   90    3    9 o   18.110   1.3640 -0.2593000 2.728000 
1 1 1   90    3   10 o   13.900   1.8240 -0.7006000 3.649000 
1 1 1   90    3   11 o   7.7450   2.1680 1.364000 4.336000 
1 1 1   90    3   12 o   6.9800   2.0590 -0.1944000 4.119000 
1 1 1   90    3   13 o   9.5040   2.1100 3.181000 4.220000 
1 1 1   90    3   14 o   7.2010   2.0750 1.527000 4.149000 
1 1 1   90    3   15 o   10.410   2.0570 2.980000 4.113000 
1 1 1   90    3   16 o   6.9760   2.0180 0.5411000 4.037000 
1 1 1   90    3   17 o   6.0740   1.9360 -2.510000 3.873000 
1 1 1   90    3   18 o   6.9500   2.0470 0.9156000 4.094000 
1 1 1   90    4    0 o   10.670   3.0380 -0.000000 0.000000 
1 1 1   90    4    1 o   11.230   2.1310 -2.062000 4.262000 
1 1 1   90    4    2 o   12.950   1.9030 8.041000 3.805000 
1 1 1   90    4    3 o   7.9620   2.0780 3.371000 4.156000 
1 1 1   90    4    4 o   19.560   1.3040 3.205000 2.609000 
1 1 1   90    4    5 o   8.2990   2.1990 0.4281000 4.398000 
1 1 1   90    4    6 o   27.110   0.9673 -1.414000 1.935000 
1 1 1   90    4    7 o   9.5590   2.2510 -1.044000 4.503000 
1 1 1   90    4    8 o   26.040   1.0180 2.966000 2.035000 
1 1 1   90    4    9 o   9.3160   2.2140 -0.7994000 4.428000 
1 1 1   90    4   10 o   7.0570   1.9880 -3.631000 3.976000 
1 1 1   90    4   11 o   8.9780   2.2160 -0.8741000 4.433000 
1 1 1   90    4   12 o   10.770   1.9130 -7.625000 3.826000 
1 1 1   90    4   13 o   9.6050   2.1810 0.3183000 4.362000 
1 1 1   90    4   14 o   12.100   2.0050 0.1669000 4.010000 
1 1 1   90    4   15 o   6.2290   1.9200 0.7334000 3.840000 
1 1 1   90    4   16 o   5.8630   1.8500 -0.4897000 3.700000 
1 1 1   90    4   17 o   8.6070   1.8970 5.745000 3.794000 
1 1 1   90    4   18 o   8.2080   2.0100 3.005000 4.019000 
1 1 1   90    5    0 o   9.1870   3.4010 -0.000000 0.000000 
1 1 1   90    5    1 o   11.120   2.4220 0.3661000 4.844000 
1 1 1   90    5    2 o   7.9150   2.2950 -0.9261000 4.591000 
1 1 1   90    5    3 o   16.020   1.9380 3.440000 3.876000 
1 1 1   90    5    4 o   19.480   1.5440 -0.6622000 3.089000 
1 1 1   90    5    5 o   10.720   2.4340 -0.5532000 4.869000 
1 1 1   90    5    6 o   8.8960   2.3900 -2.139000 4.779000 
1 1 1   90    5    7 o   17.750   1.7500 -4.387000 3.499000 
1 1 1   90    5    8 o   11.730   2.3770 1.232000 4.754000 
1 1 1   90    5    9 o   14.430   2.0810 -5.374000 4.161000 
1 1 1   90    5   10 f   13.370   2.0750 -9.057000 4.151000 
1 1 1   90    5   11 o   7.4190   2.2210 -0.1834000 4.442000 
1 1 1   90    5   12 o   14.670   2.0540 -0.1307000 4.108000 
1 1 1   90    5   13 o   6.0270   1.9730 -0.9404000 3.947000 
1 1 1   90    5   14 o   9.4080   2.1790 2.790000 4.358000 
1 1 1   90    5   15 o   9.2220   2.0450 -6.948000 4.090000 
1 1 1   90    5   16 o   8.4780   2.0760 3.350000 4.151000 
1 1 1   90    5   17 o   7.4810   2.0840 -3.838000 4.168000 
1 1 1   90    5   18 o   11.980   2.4560 -0.7455000 4.911000 
1 1 1   90    6    0 o   14.640   3.0200 -0.000000 0.000000 
1 1 1   90    6    1 o   12.520   2.3250 -3.131000 4.650000 
1 1 1   90    6    2 o   21.270   1.4690 3.030000 2.938000 
1 1 1   90    6    3 o   7.6480   2.2820 0.7070000 4.565000 
1 1 1   90    6    4 o   17.790   1.7680 -2.689000 3.535000 
1 1 1   90    6    5 o   15.940   1.9750 3.994000 3.951000 
1 1 1   90    6    6 o   18.650   1.6320 -0.4120000 3.265000 
1 1 1   90    6    7 o   10.490   2.3860 -2.447000 4.772000 
1 1 1   90    6    8 o   10.980   2.3610 -3.176000 4.721000 
1 1 1   90    6    9 f   11.640   2.3670 -2.269000 4.734000 
1 1 1   90    6   10 o   16.340   1.8790 3.929000 3.759000 
1 1 1   90    6   11 o   7.2440   2.2170 0.8821000E-02 4.434000 
1 1 1   90    6   12 o   15.390   1.9720 2.424000 3.943000 
1 1 1   90    6   13 o   18.040   1.6790 -3.073000 3.358000 
1 1 1   90    6   14 o   8.0700   2.3040 -1.163000 4.608000 
1 1 1   90    6   15 o   7.6310   2.2250 -1.038000 4.450000 
1 1 1   90    6   16 o   8.8340   2.3170 2.216000 4.635000 
1 1 1   90    6   17 o   9.1650   2.3130 -1.816000 4.625000 
1 1 1   90    7    0 o   15.390   2.9200 -0.000000 0.000000 
1 1 1   90    7    1 o   10.930   2.2880 5.646000 4.577000 
1 1 1   90    7    2 o   22.260   1.4040 1.632000 2.809000 
1 1 1   90    7    3 o   13.160   2.2560 -4.170000 4.512000 
1 1 1   90    7    4 o   26.250   1.1880 1.529000 2.376000 
1 1 1   90    7    5 o   19.590   1.5350 -1.068000 3.069000 
1 1 1   90    7    6 o   9.0680   2.2990 -3.830000 4.598000 
1 1 1   90    7    7 o   16.060   1.9050 1.117000 3.810000 
1 1 1   90    7    8 o   7.6320   2.2810 -0.9418000E-01 4.562000 
1 1 1   90    7    9 o   7.2300   2.2140 -0.8424000 4.428000 
1 1 1   90    7   10 f   7.2830   2.1870 -2.734000 4.374000 
1 1 1   90    7   11 o   9.5820   2.4030 -1.695000 4.806000 
1 1 1   90    7   12 o   10.740   2.3490 -3.220000 4.697000 
1 1 1   90    7   13 o   8.1310   2.2970 -2.267000 4.593000 
1 1 1   90    7   14 o   6.6320   2.0800 -1.628000 4.160000 
1 1 1   90    7   15 o   9.7210   2.3310 2.813000 4.663000 
1 1 1   90    7   16 o   11.870   2.2370 -4.522000 4.474000 
1 1 1   90    8    0 o   18.050   2.4820 -0.000000 0.000000 
1 1 1   90    8    1 o   26.320   1.2350 5.640000 2.471000 
1 1 1   90    8    2 o   10.320   2.4190 -2.568000 4.838000 
1 1 1   90    8    3 o   7.3470   2.2380 -0.9847000E-01 4.476000 
1 1 1   90    8    4 o   13.670   2.1680 1.758000 4.336000 
1 1 1   90    8    5 o   21.320   1.5080 4.910000 3.017000 
1 1 1   90    8    6 o   10.440   2.3360 4.141000 4.673000 
1 1 1   90    8    7 o   11.880   2.3450 -2.432000 4.690000 
1 1 1   90    8    8 o   12.700   2.3480 -2.173000 4.696000 
1 1 1   90    8    9 o   8.5780   2.2820 -4.130000 4.564000 
1 1 1   90    8   10 o   8.9900   2.4210 0.8320000 4.843000 
1 1 1   90    8   11 o   7.8090   2.2710 1.394000 4.541000 
1 1 1   90    8   12 o   7.8070   2.2530 1.955000 4.507000 
1 1 1   90    8   13 o   7.3920   2.1680 -3.244000 4.336000 
1 1 1   90    8   14 o   6.6010   2.0800 2.400000 4.159000 
1 1 1   90    8   15 o   8.3360   2.1920 4.731000 4.385000 
1 1 1   90    9    0 o   10.070   3.4270 -0.000000 0.000000 
1 1 1   90    9    1 f   10.310   2.4570 -0.8766000 4.913000 
1 1 1   90    9    2 o   17.130   1.7990 -4.707000 3.598000 
1 1 1   90    9    3 f   6.7380   2.1300 -1.834000 4.260000 
1 1 1   90    9    4 o   9.7660   2.4310 -0.4610000E-01 4.862000 
1 1 1   90    9    5 o   6.4230   2.0740 -0.2764000 4.149000 
1 1 1   90    9    6 o   13.140   2.2680 0.9387000 4.536000 
1 1 1   90    9    7 o   14.650   3.0000      ?      ? 
1 1 1   90    9    8 o   9.1370   2.4050 2.258000 4.809000 
1 1 1   90    9    9 o   9.5100   2.4390 1.059000 4.877000 
1 1 1   90    9   10 o   7.7390   2.2420 -1.566000 4.484000 
1 1 1   90    9   11 o   19.030   1.5310 -1.845000 3.063000 
1 1 1   90    9   12 o   12.950   2.2300 3.273000 4.461000 
1 1 1   90    9   13 o   7.9010   2.2720 1.563000 4.544000 
1 1 1   90    9   14 o   10.030   2.4010 -1.144000 4.801000 
1 1 1   90   10    0 o   19.070   2.4130 -0.000000 0.000000 
1 1 1   90   10    1 o   12.240   2.4090 -1.394000 4.818000 
1 1 1   90   10    2 o   11.240   2.3420 -4.965000 4.684000 
1 1 1   90   10    3 o   8.6240   2.3400 2.634000 4.679000 
1 1 1   90   10    4 o   8.7340   2.3370 3.244000 4.674000 
1 1 1   90   10    5 o   6.8080   2.1290 -0.7129000E-01 4.258000 
1 1 1   90   10    6 o   7.6450   2.2520 1.323000 4.504000 
1 1 1   90   10    7 o   15.150   1.9780 4.229000 3.956000 
1 1 1   90   10    8 o   13.450   2.1060 -8.232000 4.213000 
1 1 1   90   10    9 o   9.4080   2.3340 2.630000 4.668000 
1 1 1   90   10   10 o   8.3620   2.2740 2.397000 4.549000 
1 1 1   90   10   11 o   9.3620   2.3690 -1.274000 4.739000 
1 1 1   90   10   12 o   7.6920   2.2710 0.3790000 4.541000 
1 1 1   90   10   13 o   10.570   2.7650 -4.834000 5.530000 
1 1 1   90   11    0 o   9.7100   3.3690 -0.000000 0.000000 
1 1 1   90   11    1 o   12.530   2.0610 8.840000 4.122000 
1 1 1   90   11    2 o   9.5980   2.3920 -1.312000 4.783000 
1 1 1   90   11    3 f   6.8530   3.0150      ?      ? 
1 1 1   90   11    4 o   13.240   2.1260 6.386000 4.252000 
1 1 1   90   11    5 o   9.7810   2.1370 -5.638000 4.273000 
1 1 1   90   11    6 o   8.9420   2.3180 -1.832000 4.635000 
1 1 1   90   11    7 o   7.8270   2.2500 0.8964000 4.499000 
1 1 1   90   11    8 o   9.5730   2.4200 -0.5170000 4.841000 
1 1 1   90   11    9 o   12.030   2.3430 0.9510000 4.685000 
1 1 1   90   11   10 o   9.9440   2.3690 2.197000 4.738000 
1 1 1   90   11   11 o   7.2490   2.2300 0.1613000 4.461000 
1 1 1   90   12    0 o   7.5350   3.1590 -0.000000 0.000000 
1 1 1   90   12    1 o   9.5090   2.3800 0.4038000 4.760000 
1 1 1   90   12    2 o   6.7030   2.0640 2.295000 4.128000 
1 1 1   90   12    3 o   8.0230   2.2570 1.466000 4.515000 
1 1 1   90   12    4 o   6.8680   2.1120 -2.046000 4.225000 
1 1 1   90   12    5 o   5.6740   1.8950 -0.6658000 3.791000 
1 1 1   90   12    6 o   10.740   2.1870 -4.916000 4.373000 
1 1 1   90   12    7 f   10.290   2.2980 -4.699000 4.596000 
1 1 1   90   12    8 o   9.7890   2.3780 2.173000 4.756000 
1 1 1   90   13    0 o   6.9520   3.0400 -0.000000 0.000000 
1 1 1   90   13    1 o   9.9120   2.3380 -3.551000 4.675000 
1 1 1   90   13    2 o   8.7070   2.1130 -5.905000 4.226000 
1 1 1   90   13    3 o   10.390   2.0320 8.217000 4.065000 
1 1 1   90   13    4 o   10.260   2.3760 0.9861000 4.753000 
1 1 1   90   13    5 o   9.4210   2.4650 1.546000 4.931000 
1 1 1   91    0    1 o   10.230   3.6090 -0.000000 0.000000 
1 1 1   91    0    2 o   12.190   3.6100 -0.000000 0.000000 
1 1 1   91    0    3 o   28.110   1.7800 -0.000000 0.000000 
1 1 1   91    0    4 o   12.150   3.6060 -0.000000 0.000000 
1 1 1   91    0    5 o   7.3520   3.2600 -0.000000 0.000000 
1 1 1   91    0    6 o   10.990   3.6670 -0.000000 0.000000 
1 1 1   91    0    7 o   9.1480   3.5800 -0.000000 0.000000 
1 1 1   91    0    8 o   12.340   3.5830 -0.000000 0.000000 
1 1 1   91    0    9 o   14.050   3.3820 -0.000000 0.000000 
1 1 1   91    0   10 o   21.250   2.3130 -0.000000 0.000000 
1 1 1   91    0   11 f   8.6650   3.5170 -0.000000 0.000000 
1 1 1   91    0   12 o   7.2400   3.1970 -0.000000 0.000000 
1 1 1   91    0   13 o   11.790   3.5110 -0.000000 0.000000 
1 1 1   91    0   14 o   21.530   2.1710 -0.000000 0.000000 
1 1 1   91    0   15 o   8.5340   3.3530 -0.000000 0.000000 
1 1 1   91    0   16 o   7.1940   3.1080 -0.000000 0.000000 
1 1 1   91    0   17 o   8.8810   3.4230 -0.000000 0.000000 
1 1 1   91    0   18 o   9.6860   3.4470 -0.000000 0.000000 
1 1 1   91    1    0 o   23.360   2.0230 -0.000000 0.000000 
1 1 1   91    1    1 o   10.410   2.5380 2.374000 5.076000 
1 1 1   91    1    2 o   10.090   2.5900 2.370000 5.180000 
1 1 1   91    1    3 o   17.030   2.2280 -3.660000 4.456000 
1 1 1   91    1    4 o   17.400   2.0160 0.5606000E-01 4.031000 
1 1 1   91    1    5 o   17.350   2.0850 -0.2021000 4.170000 
1 1 1   91    1    6 o   9.4740   2.5360 2.710000 5.072000 
1 1 1   91    1    7 o   12.930   2.5430 0.3355000 5.086000 
1 1 1   91    1    8 o   16.750   2.0790 -2.276000 4.159000 
1 1 1   91    1    9 o   8.1620   3.4010      ?      ? 
1 1 1   91    1   10 o   6.3330   2.0900 -0.3511000 4.179000 
1 1 1   91    1   11 o   14.760   2.3160 1.752000 4.631000 
1 1 1   91    1   12 o   12.390   2.4370 -3.014000 4.874000 
1 1 1   91    1   13 o   22.590   1.4340 -1.362000 2.869000 
1 1 1   91    1   14 f   10.940   2.4210 -3.555000 4.841000 
1 1 1   91    1   15 o   10.920   2.4060 -2.353000 4.811000 
1 1 1   91    1   16 o   12.580   2.2220 5.224000 4.445000 
1 1 1   91    1   17 o   7.4870   2.2510 1.015000 4.501000 
1 1 1   91    1   18 o   10.420   2.2820 4.967000 4.565000 
1 1 1   91    2    0 o   25.640   1.3990 -0.000000 0.000000 
1 1 1   91    2    1 o   7.8870   2.1670 0.6812000 4.335000 
1 1 1   91    2    2 o   27.110   0.9748 -1.441000 1.950000 
1 1 1   91    2    3 o   20.580   1.2260 2.469000 2.453000 
1 1 1   91    2    4 o   7.0470   2.0310 2.590000 4.062000 
1 1 1   91    2    5 o   25.730   1.1840 0.7733000E-01 2.368000 
1 1 1   91    2    6 o   10.320   2.3530 -4.722000 4.706000 
1 1 1   91    2    7 o   19.300   1.5890 0.9435000 3.178000 
1 1 1   91    2    8 o   8.5090   2.2270 -5.596000 4.455000 
1 1 1   91    2    9 o   7.6160   2.1890 1.479000 4.377000 
1 1 1   91    2   10 o   11.250   2.3140 -3.576000 4.629000 
1 1 1   91    2   11 o   17.390   1.6390 -3.880000 3.278000 
1 1 1   91    2   12 f   9.8300   2.3090 -5.289000 4.619000 
1 1 1   91    2   13 o   8.0490   2.3400 -0.2429000 4.679000 
1 1 1   91    2   14 o   22.880   1.3820 1.288000 2.763000 
1 1 1   91    2   15 o   19.920   1.5130 0.4548000 3.026000 
1 1 1   91    2   16 o   9.1300   2.3680 2.697000 4.736000 
1 1 1   91    2   17 o   8.5990   2.3530 -0.6885000 4.706000 
1 1 1   91    2   18 f   6.6980   2.9350      ?      ? 
1 1 1   91    3    0 o   10.510   3.0690 -0.000000 0.000000 
1 1 1   91    3    1 o   16.030   1.5990 -2.267000 3.198000 
1 1 1   91    3    2 o   17.890   1.4350 1.653000 2.871000 
1 1 1   91    3    3 o   7.3050   1.9720 -4.901000 3.944000 
1 1 1   91    3    4 o   9.4130   2.1120 -3.598000 4.224000 
1 1 1   91    3    5 o   16.490   1.5560 1.549000 3.112000 
1 1 1   91    3    6 o   15.520   1.6640 0.6991000 3.329000 
1 1 1   91    3    7 o   19.820   1.3140 -5.130000 2.628000 
1 1 1   91    3    8 o   17.530   1.5200 -3.690000 3.039000 
1 1 1   91    3    9 o   7.9100   2.1320 2.178000 4.265000 
1 1 1   91    3   10 o   15.570   1.6250 0.9247000 3.250000 
1 1 1   91    3   11 o   18.440   1.3990 -4.518000 2.798000 
1 1 1   91    3   12 o   7.8050   2.0630 -3.584000 4.125000 
1 1 1   91    3   13 o   11.470   2.0850 -0.2917000 4.169000 
1 1 1   91    3   14 o   12.030   1.9680 -0.4344000 3.935000 
1 1 1   91    3   15 o   7.0190   2.0430 0.1980000 4.086000 
1 1 1   91    3   16 o   10.470   1.8620 7.658000 3.723000 
1 1 1   91    3   17 o   13.360   1.9740 3.077000 3.948000 
1 1 1   91    3   18 o   7.6230   2.1460 -0.5301000 4.292000 
1 1 1   91    4    0 o   9.2080   3.1280 -0.000000 0.000000 
1 1 1   91    4    1 o   9.1410   2.2130 1.410000 4.425000 
1 1 1   91    4    2 o   9.0800   2.1460 3.949000 4.293000 
1 1 1   91    4    3 o   8.4310   2.1540 2.679000 4.308000 
1 1 1   91    4    4 o   12.740   1.9790 0.2661000 3.957000 
1 1 1   91    4    5 o   10.140   1.9230 7.397000 3.845000 
1 1 1   91    4    6 o   20.120   1.3010 3.517000 2.602000 
1 1 1   91    4    7 o   22.240   1.1900 5.601000 2.380000 
1 1 1   91    4    8 o   14.980   1.7430 0.4829000 3.487000 
1 1 1   91    4    9 o   8.3770   2.1950 -0.7391000 4.389000 
1 1 1   91    4   10 o   19.050   1.3570 -2.564000 2.714000 
1 1 1   91    4   11 o   8.5760   2.0320 4.607000 4.064000 
1 1 1   91    4   12 o   17.990   1.3810 1.703000 2.763000 
1 1 1   91    4   13 o   8.8490   2.1780 1.475000 4.355000 
1 1 1   91    4   14 o   8.0560   2.0810 3.061000 4.162000 
1 1 1   91    4   15 o   8.6610   2.0430 -3.894000 4.085000 
1 1 1   91    4   16 o   6.3940   1.9340 0.2990000 3.869000 
1 1 1   91    4   17 o   9.4140   2.1030 -1.280000 4.207000 
1 1 1   91    4   18 o   6.1900   2.9560      ?      ? 
1 1 1   91    5    0 o   25.600   1.7410 -0.000000 0.000000 
1 1 1   91    5    1 o   9.3050   2.4090 -1.667000 4.818000 
1 1 1   91    5    2 o   13.890   2.1540 6.747000 4.308000 
1 1 1   91    5    3 o   16.670   1.9240 3.951000 3.848000 
1 1 1   91    5    4 o   21.860   1.4050 2.477000 2.810000 
1 1 1   91    5    5 o   10.320   2.4340 -1.119000 4.867000 
1 1 1   91    5    6 o   7.1040   2.1300 2.995000 4.261000 
1 1 1   91    5    7 o   10.300   2.4000 2.033000 4.800000 
1 1 1   91    5    8 o   11.750   2.2810 3.433000 4.562000 
1 1 1   91    5    9 o   11.650   2.3660 -1.906000 4.732000 
1 1 1   91    5   10 o   6.7940   2.1300 0.5527000 4.260000 
1 1 1   91    5   11 o   12.150   2.2330 -4.265000 4.466000 
1 1 1   91    5   12 o   9.3580   2.3880 -1.466000 4.775000 
1 1 1   91    5   13 f   12.790   2.0580 -1.205000 4.117000 
1 1 1   91    5   14 o   8.8260   2.1770 2.697000 4.354000 
1 1 1   91    5   15 o   8.8820   2.2170 -1.938000 4.434000 
1 1 1   91    5   16 o   7.4350   2.1530 -1.759000 4.305000 
1 1 1   91    5   17 o   7.0690   2.0700 0.5367000 4.140000 
1 1 1   91    6    0 o   22.720   1.9630 -0.000000 0.000000 
1 1 1   91    6    1 o   9.3100   2.3850 -3.678000 4.771000 
1 1 1   91    6    2 o   19.790   1.5870 1.554000 3.174000 
1 1 1   91    6    3 o   14.910   2.1000 4.211000 4.200000 
1 1 1   91    6    4 o   14.950   2.0510 -3.277000 4.101000 
1 1 1   91    6    5 o   27.690   1.1300 4.428000 2.261000 
1 1 1   91    6    6 o   6.9040   2.1420 -0.5892000 4.284000 
1 1 1   91    6    7 o   15.820   1.9690 0.1451000 3.938000 
1 1 1   91    6    8 o   15.660   1.9730 -0.6757000 3.947000 
1 1 1   91    6    9 o   8.6510   2.3860 0.2154000 4.773000 
1 1 1   91    6   10 o   14.400   2.1350 -2.139000 4.269000 
1 1 1   91    6   11 o   9.9340   2.3450 -3.671000 4.690000 
1 1 1   91    6   12 o   6.9900   2.1470 1.827000 4.295000 
1 1 1   91    6   13 o   10.010   2.3450 4.360000 4.690000 
1 1 1   91    6   14 o   6.9840   2.1230 1.988000 4.246000 
1 1 1   91    6   15 o   13.270   2.1820 0.3761000 4.363000 
1 1 1   91    6   16 o   9.7800   2.3480 1.659000 4.696000 
1 1 1   91    7    0 o   19.640   2.2540 -0.000000 0.000000 
1 1 1   91    7    1 o   10.010   2.4590 -1.278000 4.918000 
1 1 1   91    7    2 o   7.4640   2.1680 -4.318000 4.336000 
1 1 1   91    7    3 o   6.7980   2.1510 -0.8078000 4.303000 
1 1 1   91    7    4 o   11.300   2.2510 -6.871000 4.501000 
1 1 1   91    7    5 o   6.9190   2.1410 1.546000 4.283000 
1 1 1   91    7    6 f   14.540   2.0650 -4.409000 4.130000 
1 1 1   91    7    7 o   9.0700   2.2260 -5.540000 4.452000 
1 1 1   91    7    8 f   9.0840   2.2770 -4.546000 4.554000 
1 1 1   91    7    9 o   7.1290   2.2010 -1.490000 4.402000 
1 1 1   91    7   10 o   9.8110   2.1400 7.119000 4.281000 
1 1 1   91    7   11 o   8.1900   2.3240 -0.8085000 4.648000 
1 1 1   91    7   12 o   6.6720   2.0830 1.487000 4.167000 
1 1 1   91    7   13 o   15.020   2.0160 -2.194000 4.031000 
1 1 1   91    7   14 o   7.7770   2.2550 -1.513000 4.510000 
1 1 1   91    7   15 o   11.640   2.3360 0.6492000 4.672000 
1 1 1   91    8    0 o   8.2470   3.2880 -0.000000 0.000000 
1 1 1   91    8    1 o   22.720   1.3390 0.7539000 2.678000 
1 1 1   91    8    2 o   11.500   2.3890 -1.094000 4.778000 
1 1 1   91    8    3 o   17.690   1.8090 -2.300000 3.617000 
1 1 1   91    8    4 o   14.950   2.1270 4.638000 4.254000 
1 1 1   91    8    5 o   9.6840   2.3750 -3.078000 4.751000 
1 1 1   91    8    6 o   7.3510   2.1960 2.314000 4.391000 
1 1 1   91    8    7 o   9.5360   2.4260 -2.468000 4.853000 
1 1 1   91    8    8 o   8.3790   2.3390 1.618000 4.678000 
1 1 1   91    8    9 o   11.140   2.4290 -3.058000 4.857000 
1 1 1   91    8   10 f   7.5760   2.2200 2.062000 4.441000 
1 1 1   91    8   11 o   7.9530   2.2980 -0.5527000 4.597000 
1 1 1   91    8   12 o   10.870   2.3780 0.5575000 4.755000 
1 1 1   91    8   13 o   12.820   2.2530 3.757000 4.506000 
1 1 1   91    8   14 o   7.5610   2.1970 2.982000 4.394000 
1 1 1   91    9    0 o   9.1700   3.4820 -0.000000 0.000000 
1 1 1   91    9    1 o   7.3910   2.2560 -0.2233000E-01 4.512000 
1 1 1   91    9    2 o   9.0340   2.2830 -4.612000 4.566000 
1 1 1   91    9    3 o   9.5830   2.4310 -0.6297000 4.861000 
1 1 1   91    9    4 o   8.3470   2.3400 0.7840000 4.680000 
1 1 1   91    9    5 o   13.300   2.2830 -1.214000 4.565000 
1 1 1   91    9    6 o   10.370   2.4020 1.129000 4.803000 
1 1 1   91    9    7 o   16.030   2.0070 -3.994000 4.014000 
1 1 1   91    9    8 o   11.000   2.3830 -1.343000 4.767000 
1 1 1   91    9    9 o   10.790   2.1200 -8.221000 4.241000 
1 1 1   91    9   10 o   9.1270   2.3700 0.7846000 4.740000 
1 1 1   91    9   11 o   10.340   1.9860 -8.699000 3.972000 
1 1 1   91    9   12 o   14.320   2.1580 5.608000 4.316000 
1 1 1   91    9   13 o   10.400   2.1540 7.223000 4.308000 
1 1 1   91   10    0 o   7.1060   3.0970 -0.000000 0.000000 
1 1 1   91   10    1 f   10.560   2.4290 1.087000 4.858000 
1 1 1   91   10    2 o   13.270   2.2770 -2.437000 4.553000 
1 1 1   91   10    3 o   7.1740   2.1480 2.710000 4.295000 
1 1 1   91   10    4 o   9.1070   2.0590 7.152000 4.117000 
1 1 1   91   10    5 o   8.3560   2.2970 2.172000 4.594000 
1 1 1   91   10    6 o   14.120   1.9570 10.90000 3.913000 
1 1 1   91   10    7 o   5.7810   1.9220 -0.3072000 3.845000 
1 1 1   91   10    8 o   10.210   2.4090 -0.7558000 4.819000 
1 1 1   91   10    9 o   10.250   2.4010 -0.4206000E-01 4.802000 
1 1 1   91   10   10 o   8.7810   2.2400 4.231000 4.480000 
1 1 1   91   10   11 f   10.860   2.3550 -1.404000 4.709000 
1 1 1   91   10   12 o   7.8570   2.2680 -2.054000 4.536000 
1 1 1   91   11    0 o   9.9060   3.4500 -0.000000 0.000000 
1 1 1   91   11    1 o   18.050   1.7450 -7.036000 3.490000 
1 1 1   91   11    2 f   9.4730   2.3740 -0.5487000 4.748000 
1 1 1   91   11    3 o   9.6130   2.1920 5.852000 4.383000 
1 1 1   91   11    4 o   9.5250   2.2530 4.029000 4.506000 
1 1 1   91   11    5 o   10.950   2.2070 -4.807000 4.414000 
1 1 1   91   11    6 o   8.2520   2.2770 1.605000 4.554000 
1 1 1   91   11    7 o   7.6960   2.2320 2.589000 4.464000 
1 1 1   91   11    8 o   8.5370   2.3240 2.214000 4.649000 
1 1 1   91   11    9 o   8.7400   2.3150 -3.104000 4.629000 
1 1 1   91   11   10 o   9.4370   2.2940 -4.750000 4.589000 
1 1 1   91   12    0 o   10.930   3.2940 -0.000000 0.000000 
1 1 1   91   12    1 o   11.480   2.2680 3.799000 4.536000 
1 1 1   91   12    2 o   8.7820   2.2910 -3.223000 4.582000 
1 1 1   91   12    3 o   9.1690   2.1080 6.395000 4.216000 
1 1 1   91   12    4 o   8.1810   2.2770 -1.522000 4.554000 
1 1 1   91   12    5 o   8.1470   2.1790 4.464000 4.357000 
1 1 1   91   12    6 o   8.6420   2.2900 -1.883000 4.580000 
1 1 1   91   12    7 o   9.7760   2.3800 -1.069000 4.761000 
1 1 1   91   13    0 o   6.3410   2.8860 -0.000000 0.000000 
1 1 1   91   13    1 o   8.3340   2.3560 -0.6628000 4.712000 
1 1 1   91   13    2 o   10.260   2.3460 5.072000 4.692000 
1 1 1   92    0    0 f   34.880   2.0690 -0.000000 0.000000 
1 1 1   92    0    1 o   6.9440   3.1380 -0.000000 0.000000 
1 1 1   92    0    2 o   6.9570   3.1360 -0.000000 0.000000 
1 1 1   92    0    3 o   7.6640   3.3590 -0.000000 0.000000 
1 1 1   92    0    4 o   5.9900   2.8480 -0.000000 0.000000 
1 1 1   92    0    5 o   23.820   2.0220 -0.000000 0.000000 
1 1 1   92    0    6 o   16.580   3.0650 -0.000000 0.000000 
1 1 1   92    0    7 o   8.1380   3.3950 -0.000000 0.000000 
1 1 1   92    0    8 f   30.840   1.5930 -0.000000 0.000000 
1 1 1   92    0    9 o   13.960   3.3790 -0.000000 0.000000 
1 1 1   92    0   10 o   35.560   1.4810 -0.000000 0.000000 
1 1 1   92    0   11 o   8.6170   3.4830 -0.000000 0.000000 
1 1 1   92    0   12 o   7.0600   3.1490 -0.000000 0.000000 
1 1 1   92    0   13 o   11.030   3.5380 -0.000000 0.000000 
1 1 1   92    0   14 o   14.650   3.1180 -0.000000 0.000000 
1 1 1   92    0   15 o   7.4730   3.2010 -0.000000 0.000000 
1 1 1   92    0   16 o   7.5730   3.2140 -0.000000 0.000000 
1 1 1   92    0   17 o   10.630   3.5350 -0.000000 0.000000 
1 1 1   92    0   18 o   10.450   3.4180 -0.000000 0.000000 
1 1 1   92    1    0 o   8.1030   3.4370 -0.000000 0.000000 
1 1 1   92    1    1 o   8.5760   2.4660 -0.4483000 4.932000 
1 1 1   92    1    2 o   27.010   1.3490 0.6769000 2.697000 
1 1 1   92    1    3 o   25.990   1.3570 1.438000 2.714000 
1 1 1   92    1    4 o   9.5650   2.2890 6.854000 4.579000 
1 1 1   92    1    5 o   17.720   2.8670      ?      ? 
1 1 1   92    1    6 o   14.480   2.3740 2.768000 4.749000 
1 1 1   92    1    7 o   10.460   2.5960 0.4002000 5.192000 
1 1 1   92    1    8 f   11.790   2.5300 1.408000 5.060000 
1 1 1   92    1    9 o   25.250   1.3540 -3.756000 2.708000 
1 1 1   92    1   10 o   7.9390   2.3530 2.453000 4.705000 
1 1 1   92    1   11 o   10.250   2.5000 3.209000 5.001000 
1 1 1   92    1   12 o   15.050   2.1650 3.225000 4.330000 
1 1 1   92    1   13 o   8.9980   2.4350 -1.279000 4.871000 
1 1 1   92    1   14 o   8.9500   2.4370 -0.1890000 4.874000 
1 1 1   92    1   15 o   8.9840   2.4130 0.9891000 4.826000 
1 1 1   92    1   16 o   6.5090   2.0540 2.580000 4.109000 
1 1 1   92    1   17 o   11.610   2.2280 6.414000 4.456000 
1 1 1   92    1   18 o   10.810   2.3400 5.020000 4.680000 
1 1 1   92    2    0 o   12.570   2.8220 -0.000000 0.000000 
1 1 1   92    2    1 f   22.730   1.1450 3.006000 2.290000 
1 1 1   92    2    2 o   13.560   1.8700 -0.2355000 3.739000 
1 1 1   92    2    3 o   10.100   2.2120 0.2465000 4.424000 
1 1 1   92    2    4 o   11.030   2.2180 4.502000 4.435000 
1 1 1   92    2    5 o   24.050   1.3320 7.059000 2.663000 
1 1 1   92    2    6 o   9.2050   2.3750 0.2516000 4.750000 
1 1 1   92    2    7 o   9.5050   2.3900 -1.200000 4.780000 
1 1 1   92    2    8 o   13.610   2.1390 -1.916000 4.278000 
1 1 1   92    2    9 o   9.4860   2.0760 5.552000 4.152000 
1 1 1   92    2   10 o   16.050   1.8380 -1.059000 3.677000 
1 1 1   92    2   11 o   8.9550   2.4400 -2.324000 4.881000 
1 1 1   92    2   12 o   11.170   2.3570 -4.862000 4.714000 
1 1 1   92    2   13 o   10.050   2.4650 -0.7369000 4.930000 
1 1 1   92    2   14 o   17.170   1.8330 -0.6812000 3.665000 
1 1 1   92    2   15 o   8.9820   2.3850 -0.3346000E-01 4.770000 
1 1 1   92    2   16 o   6.2580   2.0270 1.706000 4.054000 
1 1 1   92    2   17 o   7.9780   2.2910 1.529000 4.582000 
1 1 1   92    2   18 o   8.4680   2.2870 5.090000 4.574000 
1 1 1   92    3    0 o   6.0590   2.7300 -0.000000 0.000000 
1 1 1   92    3    1 o   7.8400   2.1420 -1.756000 4.284000 
1 1 1   92    3    2 o   6.7280   2.0330 1.487000 4.066000 
1 1 1   92    3    3 o   7.5290   2.1930 1.647000 4.385000 
1 1 1   92    3    4 o   15.100   1.6750 -1.825000 3.351000 
1 1 1   92    3    5 o   19.830   1.2930 -0.6931000 2.586000 
1 1 1   92    3    6 o   10.500   2.0940 5.156000 4.189000 
1 1 1   92    3    7 o   9.7010   2.1630 -3.754000 4.326000 
1 1 1   92    3    8 o   7.5350   2.1590 -0.3560000 4.319000 
1 1 1   92    3    9 o   9.3380   2.1890 -2.379000 4.378000 
1 1 1   92    3   10 o   7.0960   2.0900 -0.3770000 4.180000 
1 1 1   92    3   11 f   10.640   2.1620 -1.439000 4.323000 
1 1 1   92    3   12 o   5.9200   1.8450 2.792000 3.691000 
1 1 1   92    3   13 o   12.170   1.9210 6.628000 3.843000 
1 1 1   92    3   14 o   11.420   2.0380 2.802000 4.076000 
1 1 1   92    3   15 o   9.0730   2.1120 -1.434000 4.223000 
1 1 1   92    3   16 o   11.100   2.1670 1.194000 4.333000 
1 1 1   92    3   17 o   7.9530   2.1530 -2.443000 4.307000 
1 1 1   92    4    0 o   8.1480   3.1000 -0.000000 0.000000 
1 1 1   92    4    1 o   11.070   2.1650 2.119000 4.331000 
1 1 1   92    4    2 o   10.380   2.1350 4.196000 4.269000 
1 1 1   92    4    3 o   24.300   1.0940 -2.595000 2.188000 
1 1 1   92    4    4 f   13.000   1.9300 -3.613000 3.860000 
1 1 1   92    4    5 o   13.110   1.9590 0.8674000 3.918000 
1 1 1   92    4    6 o   7.4780   2.1260 -1.665000 4.251000 
1 1 1   92    4    7 o   17.990   1.4300 2.518000 2.861000 
1 1 1   92    4    8 o   18.800   1.3490 4.111000 2.699000 
1 1 1   92    4    9 o   16.120   1.5840 -1.145000 3.168000 
1 1 1   92    4   10 o   6.1460   1.9400 -1.100000 3.881000 
1 1 1   92    4   11 o   7.3010   2.1040 0.1099000 4.207000 
1 1 1   92    4   12 o   11.430   2.0530 -1.699000 4.107000 
1 1 1   92    4   13 o   10.800   2.0520 3.844000 4.104000 
1 1 1   92    4   14 o   8.2570   2.1260 1.659000 4.252000 
1 1 1   92    4   15 o   5.7860   1.8330 1.479000 3.666000 
1 1 1   92    4   16 f   6.0390   1.8350 2.563000 3.670000 
1 1 1   92    4   17 o   14.770   1.5870 1.163000 3.173000 
1 1 1   92    5    0 f   11.150   3.4890 -0.000000 0.000000 
1 1 1   92    5    1 o   17.790   1.7740 -3.594000 3.548000 
1 1 1   92    5    2 o   7.8200   2.2990 0.5729000 4.598000 
1 1 1   92    5    3 o   21.540   1.4240 -0.5925000 2.848000 
1 1 1   92    5    4 o   5.4760   1.8480 0.8854000 3.695000 
1 1 1   92    5    5 o   18.610   1.5910 -2.315000 3.183000 
1 1 1   92    5    6 o   8.9460   2.3430 -1.711000 4.685000 
1 1 1   92    5    7 o   15.850   1.9230 -4.588000 3.847000 
1 1 1   92    5    8 o   8.3580   2.2830 2.878000 4.565000 
1 1 1   92    5    9 o   14.610   2.0590 -2.671000 4.119000 
1 1 1   92    5   10 o   10.650   2.3520 3.753000 4.703000 
1 1 1   92    5   11 o   9.9180   2.3920 0.5756000 4.784000 
1 1 1   92    5   12 o   6.1370   1.9590 -1.109000 3.918000 
1 1 1   92    5   13 o   6.1840   1.9670 0.1493000 3.933000 
1 1 1   92    5   14 f   10.410   2.2370 -2.715000 4.474000 
1 1 1   92    5   15 o   8.9190   2.2330 -0.4041000 4.466000 
1 1 1   92    5   16 o   9.2170   2.1510 2.826000 4.302000 
1 1 1   92    6    0 o   8.3520   3.3300 -0.000000 0.000000 
1 1 1   92    6    1 o   8.4760   2.2550 4.134000 4.509000 
1 1 1   92    6    2 o   21.450   1.4460 -0.2047000 2.892000 
1 1 1   92    6    3 f   19.470   1.5840 -1.061000 3.169000 
1 1 1   92    6    4 o   10.050   2.3580 -4.284000 4.715000 
1 1 1   92    6    5 o   8.8550   2.3420 1.893000 4.684000 
1 1 1   92    6    6 o   9.0250   2.2020 5.666000 4.404000 
1 1 1   92    6    7 o   11.940   2.0810 8.773000 4.162000 
1 1 1   92    6    8 o   17.680   1.7770 -2.894000 3.554000 
1 1 1   92    6    9 o   18.020   1.7340 -3.029000 3.469000 
1 1 1   92    6   10 o   11.450   2.2890 5.730000 4.579000 
1 1 1   92    6   11 f   9.5500   2.1320 -7.049000 4.263000 
1 1 1   92    6   12 f   12.470   2.2670 -1.768000 4.533000 
1 1 1   92    6   13 o   10.550   2.4050 -0.8242000 4.809000 
1 1 1   92    6   14 f   11.760   2.3010 1.617000 4.602000 
1 1 1   92    6   15 o   6.6220   2.0850 0.2777000 4.170000 
1 1 1   92    6   16 o   7.8490   2.2380 -2.467000 4.477000 
1 1 1   92    7    0 o   8.6830   3.3520 -0.000000 0.000000 
1 1 1   92    7    1 o   9.1180   2.4050 -0.9098000 4.811000 
1 1 1   92    7    2 o   11.180   2.3980 -1.533000 4.797000 
1 1 1   92    7    3 o   7.6520   2.2470 2.051000 4.495000 
1 1 1   92    7    4 o   13.580   2.1710 -2.725000 4.343000 
1 1 1   92    7    5 o   14.160   2.1260 0.5996000 4.252000 
1 1 1   92    7    6 o   9.5750   2.4160 1.123000 4.832000 
1 1 1   92    7    7 o   10.890   2.4270 2.841000 4.854000 
1 1 1   92    7    8 o   9.7730   2.3320 -3.835000 4.665000 
1 1 1   92    7    9 o   9.2040   2.3560 3.488000 4.712000 
1 1 1   92    7   10 o   9.1470   2.4120 0.2874000 4.824000 
1 1 1   92    7   11 o   12.590   2.2250 6.230000 4.451000 
1 1 1   92    7   12 o   8.4120   2.3280 1.630000 4.656000 
1 1 1   92    7   13 o   9.4070   2.4110 -1.503000 4.822000 
1 1 1   92    7   14 o   8.9930   2.3650 -0.4176000 4.731000 
1 1 1   92    7   15 o   11.500   2.0520 -8.283000 4.104000 
1 1 1   92    8    0 o   8.9630   3.4160 -0.000000 0.000000 
1 1 1   92    8    1 o   8.1380   2.2980 2.433000 4.596000 
1 1 1   92    8    2 o   8.1150   2.3380 -0.1228000 4.676000 
1 1 1   92    8    3 o   20.280   1.5440 2.137000 3.089000 
1 1 1   92    8    4 o   12.210   2.3770 -1.111000 4.754000 
1 1 1   92    8    5 o   20.530   1.5170 6.053000 3.033000 
1 1 1   92    8    6 o   7.1110   2.1880 -1.569000 4.377000 
1 1 1   92    8    7 o   9.7400   2.4650 0.4668000 4.930000 
1 1 1   92    8    8 o   19.600   1.6770 -5.863000 3.354000 
1 1 1   92    8    9 o   7.5460   2.2580 -0.8769000 4.517000 
1 1 1   92    8   10 o   6.6890   2.1010 0.2397000 4.202000 
1 1 1   92    8   11 f   11.840   2.2940 3.628000 4.587000 
1 1 1   92    8   12 o   10.660   2.4260 -2.510000 4.851000 
1 1 1   92    8   13 o   7.9750   2.2930 1.615000 4.587000 
1 1 1   92    8   14 o   7.6580   2.2640 -1.250000 4.527000 
1 1 1   92    9    0 o   11.350   3.4590 -0.000000 0.000000 
1 1 1   92    9    1 o   9.5270   2.4140 2.817000 4.828000 
1 1 1   92    9    2 o   8.5310   2.3700 -2.756000 4.740000 
1 1 1   92    9    3 o   11.230   2.2620 -6.761000 4.523000 
1 1 1   92    9    4 o   7.3860   2.2370 0.6507000 4.473000 
1 1 1   92    9    5 o   11.170   2.3670 3.481000 4.734000 
1 1 1   92    9    6 f   10.080   2.4080 2.199000 4.816000 
1 1 1   92    9    7 o   8.3850   2.2670 -3.621000 4.535000 
1 1 1   92    9    8 o   5.7390   1.9220 0.3034000 3.844000 
1 1 1   92    9    9 o   10.420   2.4130 0.8203000 4.827000 
1 1 1   92    9   10 o   8.2650   2.2170 -4.528000 4.435000 
1 1 1   92    9   11 o   9.7090   2.3640 -3.272000 4.729000 
1 1 1   92    9   12 o   10.320   2.4200 -2.345000 4.839000 
1 1 1   92   10    0 o   6.8230   3.0390 -0.000000 0.000000 
1 1 1   92   10    1 o   9.6940   2.4360 -1.747000 4.872000 
1 1 1   92   10    2 o   9.7330   2.3050 -4.703000 4.610000 
1 1 1   92   10    3 o   13.710   2.1720 -4.416000 4.344000 
1 1 1   92   10    4 o   7.2980   2.1420 3.344000 4.285000 
1 1 1   92   10    5 o   7.7840   2.1810 -3.047000 4.363000 
1 1 1   92   10    6 o   14.150   2.0970 -4.032000 4.194000 
1 1 1   92   10    7 o   10.230   2.3900 1.190000 4.779000 
1 1 1   92   10    8 o   8.0300   2.3070 0.8586000 4.613000 
1 1 1   92   10    9 o   6.5420   2.0750 1.166000 4.150000 
1 1 1   92   10   10 o   11.200   2.3670 -2.464000 4.735000 
1 1 1   92   10   11 f   9.8440   2.3050 -3.976000 4.609000 
1 1 1   92   11    0 o   7.0130   3.0560 -0.000000 0.000000 
1 1 1   92   11    1 o   9.8130   2.3790 2.017000 4.757000 
1 1 1   92   11    2 o   7.6250   2.1610 -3.055000 4.322000 
1 1 1   92   11    3 o   11.860   2.2850 -2.400000 4.570000 
1 1 1   92   11    4 f   6.3190   2.0030 -2.645000 4.006000 
1 1 1   92   11    5 o   10.940   2.3110 -0.3848000 4.623000 
1 1 1   92   11    6 o   6.6250   2.0590 -1.979000 4.119000 
1 1 1   92   11    7 o   8.3120   2.3130 1.213000 4.627000 
1 1 1   92   11    8 f   15.930   1.9540 2.357000 3.909000 
1 1 1   92   11    9 o   10.670   2.4390 0.6774000 4.877000 
1 1 1   92   12    0 o   6.9240   3.0050 -0.000000 0.000000 
1 1 1   92   12    1 o   8.5970   2.2850 -2.535000 4.571000 
1 1 1   92   12    2 o   8.8760   2.2810 3.567000 4.561000 
1 1 1   92   12    3 o   5.3980   2.5770      ?      ? 
1 1 1   92   12    4 o   5.6740   1.8770 -0.8069000 3.755000 
1 1 1   92   12    5 o   8.5920   2.2990 1.619000 4.598000 
1 1 1   92   12    6 o   8.0260   2.4230 -4.512000 4.846000 
1 1 1   93    0    1 o   12.040   3.6020 -0.000000 0.000000 
1 1 1   93    0    2 o   13.260   3.5030 -0.000000 0.000000 
1 1 1   93    0    3 o   16.270   2.9640 -0.000000 0.000000 
1 1 1   93    0    4 o   10.730   3.6110 -0.000000 0.000000 
1 1 1   93    0    5 o   10.990   3.6810 -0.000000 0.000000 
1 1 1   93    0    6 o   17.200   2.9780 -0.000000 0.000000 
1 1 1   93    0    7 o   5.9910   2.8610 -0.000000 0.000000 
1 1 1   93    0    8 o   35.010   1.5390 -0.000000 0.000000 
1 1 1   93    0    9 o   6.4970   2.9990 -0.000000 0.000000 
1 1 1   93    0   10 o   6.1900   2.9000 -0.000000 0.000000 
1 1 1   93    0   11 o   7.6000   3.2920 -0.000000 0.000000 
1 1 1   93    0   12 o   13.560   3.3570 -0.000000 0.000000 
1 1 1   93    0   13 o   10.220   3.5610 -0.000000 0.000000 
1 1 1   93    0   14 o   8.9380   3.4330 -0.000000 0.000000 
1 1 1   93    0   15 o   26.160   1.6810 -0.000000 0.000000 
1 1 1   93    0   16 o   10.360   3.4930 -0.000000 0.000000 
1 1 1   93    0   17 o   7.2720   3.1570 -0.000000 0.000000 
1 1 1   93    1    0 o   12.050   3.6470 -0.000000 0.000000 
1 1 1   93    1    1 o   17.990   1.9870 0.3266000 3.974000 
1 1 1   93    1    2 o   13.560   2.3960 4.690000 4.792000 
1 1 1   93    1    3 o   19.380   1.8540 -3.449000 3.708000 
1 1 1   93    1    4 o   8.1560   2.4220 -1.454000 4.844000 
1 1 1   93    1    5 o   12.360   2.5070 -1.181000 5.015000 
1 1 1   93    1    6 o   14.650   2.4680 -1.587000 4.936000 
1 1 1   93    1    7 o   18.860   1.9120 6.784000 3.824000 
1 1 1   93    1    8 o   13.640   2.2540 -8.302000 4.507000 
1 1 1   93    1    9 o   12.620   2.3310 6.221000 4.663000 
1 1 1   93    1   10 f   8.4180   2.4370 -1.254000 4.873000 
1 1 1   93    1   11 o   14.700   2.1490 -8.896000 4.298000 
1 1 1   93    1   12 o   7.1070   2.2170 -0.9566000 4.434000 
1 1 1   93    1   13 o   7.0220   2.1980 -0.1689000 4.397000 
1 1 1   93    1   14 o   21.370   1.4930 -3.036000 2.986000 
1 1 1   93    1   15 o   6.7040   2.1080 1.819000 4.217000 
1 1 1   93    1   16 o   14.380   2.1610 3.093000 4.323000 
1 1 1   93    1   17 o   11.390   2.3640 3.860000 4.729000 
1 1 1   93    2    0 o   20.610   1.7240 -0.000000 0.000000 
1 1 1   93    2    1 o   20.120   1.6240 -3.555000 3.247000 
1 1 1   93    2    2 o   17.440   1.5110 2.507000 3.023000 
1 1 1   93    2    3 o   8.0930   2.3000 -0.3259000 4.600000 
1 1 1   93    2    4 o   17.640   1.7850 3.223000 3.570000 
1 1 1   93    2    5 o   8.6850   2.3450 -1.546000 4.690000 
1 1 1   93    2    6 o   15.790   1.9380 -9.879000 3.876000 
1 1 1   93    2    7 o   12.000   2.3270 -0.3665000 4.655000 
1 1 1   93    2    8 o   7.1980   2.1340 -4.341000 4.269000 
1 1 1   93    2    9 o   11.050   2.5060 4.211000 5.012000 
1 1 1   93    2   10 o   9.1300   2.3350 -4.924000 4.670000 
1 1 1   93    2   11 o   16.570   1.9330 0.9398000 3.867000 
1 1 1   93    2   12 o   8.4450   2.3870 -0.5293000 4.774000 
1 1 1   93    2   13 o   9.8000   2.3730 4.020000 4.746000 
1 1 1   93    2   14 o   11.000   2.3210 5.705000 4.641000 
1 1 1   93    2   15 o   10.010   2.3080 -3.897000 4.615000 
1 1 1   93    2   16 o   7.7610   2.2790 -1.094000 4.558000 
1 1 1   93    2   17 o   11.740   2.3630 -1.003000 4.726000 
1 1 1   93    3    0 o   16.670   2.1990 -0.000000 0.000000 
1 1 1   93    3    1 f   8.3820   2.1640 2.646000 4.328000 
1 1 1   93    3    2 o   19.000   1.3700 -0.7057000 2.740000 
1 1 1   93    3    3 o   17.000   1.4830 0.4057000 2.967000 
1 1 1   93    3    4 o   8.5640   2.1580 -1.994000 4.317000 
1 1 1   93    3    5 o   25.660   1.0130 1.625000 2.025000 
1 1 1   93    3    6 o   14.870   1.7920 -4.488000 3.584000 
1 1 1   93    3    7 o   23.610   1.1050 4.044000 2.210000 
1 1 1   93    3    8 o   9.3470   2.2200 -1.357000 4.440000 
1 1 1   93    3    9 o   8.0300   2.1910 -0.4950000 4.381000 
1 1 1   93    3   10 o   18.680   1.4320 2.110000 2.864000 
1 1 1   93    3   11 o   20.670   1.2080 0.7304000 2.417000 
1 1 1   93    3   12 o   10.700   1.8530 7.959000 3.705000 
1 1 1   93    3   13 o   10.590   2.1310 0.2639000 4.263000 
1 1 1   93    3   14 o   5.7480   1.8460 -0.3537000E-01 3.693000 
1 1 1   93    3   15 o   12.720   1.9080 3.464000 3.815000 
1 1 1   93    3   16 o   8.0970   2.1580 1.313000 4.315000 
1 1 1   93    3   17 o   7.4970   2.1440 0.1867000 4.288000 
1 1 1   93    4    0 o   17.220   2.1310 -0.000000 0.000000 
1 1 1   93    4    1 o   17.480   1.5250 -5.059000 3.050000 
1 1 1   93    4    2 o   13.110   1.9970 -1.844000 3.995000 
1 1 1   93    4    3 o   16.080   1.6310 0.7089000 3.263000 
1 1 1   93    4    4 o   7.2670   2.0380 2.786000 4.076000 
1 1 1   93    4    5 o   7.9880   2.1600 -1.589000 4.320000 
1 1 1   93    4    6 o   6.2210   1.9440 -1.733000 3.888000 
1 1 1   93    4    7 o   20.330   1.2410 -0.6888000 2.483000 
1 1 1   93    4    8 o   17.550   1.4150 0.3181000 2.829000 
1 1 1   93    4    9 o   14.500   1.7850 1.456000 3.569000 
1 1 1   93    4   10 o   15.150   1.7020 1.107000 3.404000 
1 1 1   93    4   11 o   11.400   1.9460 -6.491000 3.893000 
1 1 1   93    4   12 o   10.010   1.9460 -6.226000 3.891000 
1 1 1   93    4   13 o   10.830   2.1080 -0.4856000 4.216000 
1 1 1   93    4   14 o   12.280   1.8680 7.482000 3.736000 
1 1 1   93    4   15 o   8.6980   2.1310 0.4323000 4.262000 
1 1 1   93    4   16 o   6.2280   1.8900 1.798000 3.780000 
1 1 1   93    5    0 o   10.790   3.4530 -0.000000 0.000000 
1 1 1   93    5    1 o   13.440   2.2750 -0.7789000 4.551000 
1 1 1   93    5    2 o   6.6300   2.1030 1.286000 4.206000 
1 1 1   93    5    3 o   16.360   1.8450 3.215000 3.690000 
1 1 1   93    5    4 o   25.770   1.1600 -1.188000 2.321000 
1 1 1   93    5    5 o   9.5150   2.3450 1.786000 4.691000 
1 1 1   93    5    6 o   8.3130   2.2290 4.150000 4.457000 
1 1 1   93    5    7 o   8.7060   2.3070 -2.961000 4.614000 
1 1 1   93    5    8 o   7.5890   2.2210 2.013000 4.443000 
1 1 1   93    5    9 o   13.440   2.2480 2.556000 4.495000 
1 1 1   93    5   10 o   8.6170   2.3110 1.901000 4.622000 
1 1 1   93    5   11 o   11.820   1.9580 7.140000 3.917000 
1 1 1   93    5   12 o   7.6170   2.1830 -1.054000 4.367000 
1 1 1   93    5   13 o   11.400   2.2040 -0.1178000 4.408000 
1 1 1   93    5   14 o   7.4550   2.0360 -5.286000 4.071000 
1 1 1   93    5   15 o   9.9320   2.2410 -2.371000 4.481000 
1 1 1   93    5   16 o   9.9690   2.2590 -2.181000 4.517000 
1 1 1   93    6    0 o   12.600   3.3110 -0.000000 0.000000 
1 1 1   93    6    1 o   13.300   2.1990 3.213000 4.398000 
1 1 1   93    6    2 o   10.820   2.3790 2.472000 4.759000 
1 1 1   93    6    3 o   24.080   1.2540 2.121000 2.507000 
1 1 1   93    6    4 o   22.190   1.3550 4.420000 2.710000 
1 1 1   93    6    5 o   14.820   2.8160      ?      ? 
1 1 1   93    6    6 o   17.060   1.7550 0.9662000 3.510000 
1 1 1   93    6    7 o   29.190   1.1030 -0.5960000E-01 2.206000 
1 1 1   93    6    8 o   8.9040   2.3200 -3.490000 4.641000 
1 1 1   93    6    9 o   10.540   2.3750 2.963000 4.751000 
1 1 1   93    6   10 o   9.9090   2.3860 2.086000 4.771000 
1 1 1   93    6   11 o   9.1250   2.2110 -5.622000 4.423000 
1 1 1   93    6   12 o   8.5100   2.3430 -0.8133000 4.687000 
1 1 1   93    6   13 o   14.160   2.0980 -3.731000 4.196000 
1 1 1   93    6   14 o   7.4810   2.2090 1.019000 4.418000 
1 1 1   93    6   15 o   17.040   1.7920 5.403000 3.584000 
1 1 1   93    7    0 o   7.6120   3.2270 -0.000000 0.000000 
1 1 1   93    7    1 o   8.5500   2.3810 -0.1921000 4.763000 
1 1 1   93    7    2 o   6.8520   2.1530 1.618000 4.306000 
1 1 1   93    7    3 o   6.9980   2.1660 -1.620000 4.333000 
1 1 1   93    7    4 o   26.450   1.1900 -0.3634000 2.379000 
1 1 1   93    7    5 o   8.3520   2.3400 1.003000 4.680000 
1 1 1   93    7    6 o   17.710   1.8040 -3.339000 3.608000 
1 1 1   93    7    7 o   8.8960   2.3290 -3.122000 4.657000 
1 1 1   93    7    8 o   8.9410   2.2830 -4.860000 4.566000 
1 1 1   93    7    9 o   8.7610   2.3230 3.201000 4.646000 
1 1 1   93    7   10 o   14.250   2.0900 -2.990000 4.180000 
1 1 1   93    7   11 o   13.050   2.1840 -5.182000 4.368000 
1 1 1   93    7   12 o   5.6500   1.8910 -0.7910000 3.782000 
1 1 1   93    7   13 o   9.2860   2.3960 0.6819000 4.792000 
1 1 1   93    7   14 o   6.5480   2.0660 2.136000 4.133000 
1 1 1   93    8    0 o   14.670   2.9440 -0.000000 0.000000 
1 1 1   93    8    1 o   13.450   2.2190 -5.065000 4.438000 
1 1 1   93    8    2 o   16.840   1.9360 6.357000 3.872000 
1 1 1   93    8    3 o   19.080   1.6130 0.1919000 3.226000 
1 1 1   93    8    4 o   14.140   2.1280 -5.970000 4.255000 
1 1 1   93    8    5 o   11.900   2.1900 6.693000 4.379000 
1 1 1   93    8    6 o   16.290   1.9660 4.497000 3.933000 
1 1 1   93    8    7 o   21.640   1.4170 1.896000 2.834000 
1 1 1   93    8    8 o   11.350   2.3930 -3.168000 4.786000 
1 1 1   93    8    9 o   6.6470   2.0710 -2.324000 4.142000 
1 1 1   93    8   10 o   8.3520   2.3410 -0.7153000E-01 4.683000 
1 1 1   93    8   11 o   7.2140   2.1910 -1.311000 4.381000 
1 1 1   93    8   12 o   15.900   2.0490 5.932000 4.098000 
1 1 1   93    8   13 o   6.7340   2.1270 -0.1879000 4.254000 
1 1 1   93    9    0 o   13.240   3.2750 -0.000000 0.000000 
1 1 1   93    9    1 o   8.6030   2.3330 3.325000 4.666000 
1 1 1   93    9    2 o   13.070   2.1920 -5.275000 4.383000 
1 1 1   93    9    3 o   6.4270   2.0700 0.2541000 4.140000 
1 1 1   93    9    4 o   8.1090   2.3040 -1.967000 4.609000 
1 1 1   93    9    5 o   12.620   2.1990 4.767000 4.399000 
1 1 1   93    9    6 o   12.970   2.2460 -0.9156000 4.493000 
1 1 1   93    9    7 o   9.7380   2.3290 -4.424000 4.657000 
1 1 1   93    9    8 o   12.440   2.3080 1.975000 4.615000 
1 1 1   93    9    9 o   10.160   2.2150 6.168000 4.430000 
1 1 1   93    9   10 o   7.0700   2.1790 1.040000 4.358000 
1 1 1   93    9   11 o   13.910   2.2240 1.806000 4.448000 
1 1 1   93    9   12 o   9.9870   2.1960 7.366000 4.392000 
1 1 1   93   10    0 o   7.4520   3.1700 -0.000000 0.000000 
1 1 1   93   10    1 o   8.0510   2.2390 -3.655000 4.478000 
1 1 1   93   10    2 o   7.8030   2.2800 -0.9145000 4.559000 
1 1 1   93   10    3 o   6.2270   2.0120 -1.301000 4.023000 
1 1 1   93   10    4 o   5.2980   1.7970 -0.8939000 3.595000 
1 1 1   93   10    5 o   9.1180   2.2470 -4.244000 4.494000 
1 1 1   93   10    6 o   7.8840   2.2620 1.200000 4.525000 
1 1 1   93   10    7 o   10.220   2.3920 -1.716000 4.785000 
1 1 1   93   10    8 o   8.5220   2.3740 1.033000 4.748000 
1 1 1   93   10    9 f   8.8880   2.2990 -3.586000 4.598000 
1 1 1   93   10   10 o   9.6210   2.3440 -2.896000 4.688000 
1 1 1   93   11    0 o   6.8850   3.0270 -0.000000 0.000000 
1 1 1   93   11    1 o   9.3650   2.0700 6.956000 4.140000 
1 1 1   93   11    2 o   8.1760   2.2650 -2.902000 4.531000 
1 1 1   93   11    3 o   6.3840   2.0100 1.844000 4.020000 
1 1 1   93   11    4 o   6.2880   1.9990 -1.718000 3.999000 
1 1 1   93   11    5 o   9.7840   2.3600 -1.198000 4.719000 
1 1 1   93   11    6 o   9.9200   1.9740 -7.872000 3.947000 
1 1 1   93   11    7 o   8.5600   2.3340 -0.6876000E-01 4.668000 
1 1 1   93   11    8 o   6.4810   3.1480      ?      ? 
1 1 1   93   12    0 o   9.3480   3.3500 -0.000000 0.000000 
1 1 1   93   12    1 o   11.380   2.1040 7.128000 4.207000 
1 1 1   93   12    2 o   7.2600   2.1630 1.385000 4.327000 
1 1 1   93   12    3 o   6.7460   2.1060 -0.1048000 4.211000 
1 1 1   94    0    0 o   28.480   2.4860 -0.000000 0.000000 
1 1 1   94    0    1 o   12.390   3.6660 -0.000000 0.000000 
1 1 1   94    0    2 o   9.9390   3.6110 -0.000000 0.000000 
1 1 1   94    0    3 o   5.9230   2.8290 -0.000000 0.000000 
1 1 1   94    0    4 o   9.8940   3.6350 -0.000000 0.000000 
1 1 1   94    0    5 o   25.190   1.8930 -0.000000 0.000000 
1 1 1   94    0    6 o   13.960   3.4640 -0.000000 0.000000 
1 1 1   94    0    7 o   24.710   1.9690 -0.000000 0.000000 
1 1 1   94    0    8 o   8.6060   3.5260 -0.000000 0.000000 
1 1 1   94    0    9 o   9.2310   3.6380 -0.000000 0.000000 
1 1 1   94    0   10 o   16.040   3.1450 -0.000000 0.000000 
1 1 1   94    0   11 o   9.4310   3.5420 -0.000000 0.000000 
1 1 1   94    0   12 o   14.500   3.1510 -0.000000 0.000000 
1 1 1   94    0   13 o   9.4520   3.4810 -0.000000 0.000000 
1 1 1   94    0   14 o   9.5090   3.4760 -0.000000 0.000000 
1 1 1   94    0   15 o   7.5320   3.1940 -0.000000 0.000000 
1 1 1   94    0   16 o   6.7330   3.0270 -0.000000 0.000000 
1 1 1   94    0   17 o   18.360   2.4860 -0.000000 0.000000 
1 1 1   94    1    0 o   13.620   3.4590 -0.000000 0.000000 
1 1 1   94    1    1 o   14.500   2.4100 0.8436000 4.820000 
1 1 1   94    1    2 o   15.150   2.3650 1.766000 4.730000 
1 1 1   94    1    3 o   37.800   1.0470 -0.5175000E-01 2.095000 
1 1 1   94    1    4 f   13.480   2.4680 2.443000 4.936000 
1 1 1   94    1    5 o   7.3630   2.2880 -0.5773000E-01 4.576000 
1 1 1   94    1    6 o   20.930   1.6820 -4.171000 3.364000 
1 1 1   94    1    7 o   12.720   2.5020 3.368000 5.003000 
1 1 1   94    1    8 o   14.310   2.3230 -4.445000 4.646000 
1 1 1   94    1    9 o   7.0510   2.2340 -0.2162000 4.468000 
1 1 1   94    1   10 o   8.3910   2.3120 -4.296000 4.624000 
1 1 1   94    1   11 o   19.560   1.6580 -2.070000 3.316000 
1 1 1   94    1   12 o   11.350   2.4250 -2.296000 4.851000 
1 1 1   94    1   13 o   14.540   2.1420 -6.211000 4.283000 
1 1 1   94    1   14 o   15.900   2.0370 -3.330000 4.073000 
1 1 1   94    1   15 o   10.110   2.3330 4.548000 4.666000 
1 1 1   94    1   16 o   8.5610   2.3360 2.884000 4.673000 
1 1 1   94    1   17 o   10.200   2.7560 1.217000 5.512000 
1 1 1   94    2    0 o   9.7470   3.2310 -0.000000 0.000000 
1 1 1   94    2    1 o   17.540   1.7440 -5.018000 3.489000 
1 1 1   94    2    2 o   18.530   1.6480 1.987000 3.296000 
1 1 1   94    2    3 o   8.9950   2.3610 -0.1887000 4.722000 
1 1 1   94    2    4 o   8.8430   2.2140 2.797000 4.427000 
1 1 1   94    2    5 o   11.890   2.3380 -0.1904000E-01 4.675000 
1 1 1   94    2    6 f   16.310   1.8250 1.044000 3.650000 
1 1 1   94    2    7 f   23.250   1.4590 4.021000 2.919000 
1 1 1   94    2    8 o   7.8800   2.3580 0.5212000 4.717000 
1 1 1   94    2    9 o   12.320   2.4730 2.869000 4.946000 
1 1 1   94    2   10 o   7.0240   2.2200 -0.8532000 4.441000 
1 1 1   94    2   11 o   10.340   2.4580 1.561000 4.915000 
1 1 1   94    2   12 o   9.6020   2.3800 3.993000 4.760000 
1 1 1   94    2   13 o   18.370   1.6860 1.556000 3.371000 
1 1 1   94    2   14 o   18.340   1.6980 -0.2681000 3.395000 
1 1 1   94    2   15 o   12.470   2.2980 -2.792000 4.596000 
1 1 1   94    2   16 o   11.750   2.3640 0.1039000 4.727000 
1 1 1   94    3    0 o   7.2940   2.9990 -0.000000 0.000000 
1 1 1   94    3    1 f   11.380   2.0820 4.182000 4.165000 
1 1 1   94    3    2 o   9.8300   2.2250 -0.5479000 4.451000 
1 1 1   94    3    3 o   12.790   1.9610 -1.870000 3.921000 
1 1 1   94    3    4 o   12.570   1.9670 1.723000 3.935000 
1 1 1   94    3    5 o   16.760   1.5210 -1.155000 3.042000 
1 1 1   94    3    6 o   7.0540   2.0520 -2.587000 4.104000 
1 1 1   94    3    7 o   7.3640   2.0620 2.740000 4.125000 
1 1 1   94    3    8 o   19.570   1.2830 -0.3299000 2.566000 
1 1 1   94    3    9 o   15.650   1.6390 -2.034000 3.279000 
1 1 1   94    3   10 o   9.1270   2.1710 -2.237000 4.343000 
1 1 1   94    3   11 o   8.0450   2.1380 -1.800000 4.277000 
1 1 1   94    3   12 o   11.490   2.0350 1.922000 4.070000 
1 1 1   94    3   13 o   7.6340   2.0740 -2.538000 4.147000 
1 1 1   94    3   14 o   6.8070   1.9820 -2.121000 3.963000 
1 1 1   94    3   15 o   10.660   2.1130 6.907000 4.225000 
1 1 1   94    3   16 o   10.400   2.2110 -3.249000 4.422000 
1 1 1   94    4    0 o   11.880   2.9880 -0.000000 0.000000 
1 1 1   94    4    1 o   13.380   1.9090 5.172000 3.818000 
1 1 1   94    4    2 o   20.870   1.2500 -4.972000 2.501000 
1 1 1   94    4    3 o   6.7840   2.0470 -1.015000 4.094000 
1 1 1   94    4    4 o   7.3180   2.0810 0.2472000 4.163000 
1 1 1   94    4    5 o   7.5970   2.1350 -0.4707000 4.270000 
1 1 1   94    4    6 o   13.820   1.8680 -6.230000 3.736000 
1 1 1   94    4    7 o   22.830   1.1160 2.047000 2.232000 
1 1 1   94    4    8 o   12.970   1.9390 -1.958000 3.878000 
1 1 1   94    4    9 o   9.4670   2.2910 0.7713000 4.582000 
1 1 1   94    4   10 o   6.9840   2.0790 -0.7395000 4.157000 
1 1 1   94    4   11 o   9.0180   2.1160 2.845000 4.233000 
1 1 1   94    4   12 o   6.0300   1.9040 0.2191000 3.809000 
1 1 1   94    4   13 o   15.220   1.6040 -0.1715000 3.208000 
1 1 1   94    4   14 o   12.280   1.9410 0.5352000E-01 3.883000 
1 1 1   94    4   15 o   10.690   2.0390 -1.813000 4.078000 
1 1 1   94    4   16 o   13.030   1.8660 -6.252000 3.732000 
1 1 1   94    5    0 o   11.540   3.3100 -0.000000 0.000000 
1 1 1   94    5    1 o   8.3550   2.2810 -3.598000 4.562000 
1 1 1   94    5    2 o   8.2460   2.3260 1.040000 4.653000 
1 1 1   94    5    3 o   7.2930   2.1950 -1.255000 4.390000 
1 1 1   94    5    4 o   9.7910   2.3260 -2.368000 4.652000 
1 1 1   94    5    5 o   8.2090   2.2630 2.025000 4.526000 
1 1 1   94    5    6 o   21.500   1.3880 4.837000 2.776000 
1 1 1   94    5    7 o   9.3020   2.3710 0.1647000 4.741000 
1 1 1   94    5    8 o   8.0830   2.2560 2.171000 4.512000 
1 1 1   94    5    9 o   13.740   2.1100 -2.932000 4.220000 
1 1 1   94    5   10 o   13.770   2.0000 -1.049000 3.999000 
1 1 1   94    5   11 o   9.1640   2.2760 -0.3205000 4.552000 
1 1 1   94    5   12 o   15.110   1.8450 3.029000 3.690000 
1 1 1   94    5   13 o   10.850   1.9560 -8.518000 3.912000 
1 1 1   94    5   14 o   11.640   2.1420 -2.611000 4.284000 
1 1 1   94    5   15 o   13.870   1.8860 -0.5423000 3.771000 
1 1 1   94    6    0 o   6.6740   2.9980 -0.000000 0.000000 
1 1 1   94    6    1 o   6.2980   2.0380 -0.8791000 4.076000 
1 1 1   94    6    2 o   7.0860   2.1860 0.9995000 4.372000 
1 1 1   94    6    3 o   7.0600   2.1710 0.8620000E-02 4.341000 
1 1 1   94    6    4 o   11.420   2.2120 5.727000 4.424000 
1 1 1   94    6    5 o   8.5140   2.3300 1.819000 4.659000 
1 1 1   94    6    6 o   7.6340   2.2480 -1.986000 4.495000 
1 1 1   94    6    7 f   15.010   2.0530 -3.141000 4.106000 
1 1 1   94    6    8 o   14.450   2.1490 1.397000 4.299000 
1 1 1   94    6    9 o   14.300   2.1420 -2.108000 4.284000 
1 1 1   94    6   10 o   7.2420   2.1930 1.930000 4.385000 
1 1 1   94    6   11 o   9.5630   2.4270 0.3611000 4.855000 
1 1 1   94    6   12 o   9.7310   2.3530 -1.798000 4.707000 
1 1 1   94    6   13 f   10.370   2.3700 0.6871000 4.741000 
1 1 1   94    6   14 o   10.640   2.3790 -1.626000 4.758000 
1 1 1   94    7    0 f   6.6670   3.0130 -0.000000 0.000000 
1 1 1   94    7    1 o   12.170   2.2700 -5.827000 4.541000 
1 1 1   94    7    2 o   29.220   1.1170 2.073000 2.233000 
1 1 1   94    7    3 o   12.850   2.2530 -6.280000 4.505000 
1 1 1   94    7    4 o   16.940   1.8210 0.6208000 3.641000 
1 1 1   94    7    5 o   9.6010   2.4230 -0.5706000 4.847000 
1 1 1   94    7    6 f   6.1080   1.9930 2.072000 3.987000 
1 1 1   94    7    7 o   8.7800   2.3890 0.5785000 4.777000 
1 1 1   94    7    8 o   10.060   2.4500 -0.6535000 4.901000 
1 1 1   94    7    9 o   12.800   2.2190 4.824000 4.438000 
1 1 1   94    7   10 o   12.000   2.2990 0.5585000 4.598000 
1 1 1   94    7   11 o   10.810   2.3840 -3.226000 4.769000 
1 1 1   94    7   12 o   10.320   2.3210 4.183000 4.643000 
1 1 1   94    7   13 o   7.4060   2.2280 -1.171000 4.455000 
1 1 1   94    8    1 o   16.230   1.9990 -6.222000 3.997000 
1 1 1   94    8    2 o   15.300   2.0900 -2.269000 4.179000 
1 1 1   94    8    3 o   7.1970   2.2140 -0.5334000 4.428000 
1 1 1   94    8    4 o   7.7390   2.1240 -5.959000 4.248000 
1 1 1   94    8    5 o   7.1160   2.1940 0.4142000 4.387000 
1 1 1   94    8    6 o   12.790   2.2590 -1.082000 4.519000 
1 1 1   94    8    7 f   7.5530   2.2510 0.4044000 4.502000 
1 1 1   94    8    8 o   9.1160   2.3620 2.640000 4.724000 
1 1 1   94    8    9 o   7.7470   2.2430 2.741000 4.486000 
1 1 1   94    8   10 o   9.9660   2.3200 3.787000 4.640000 
1 1 1   94    8   11 o   12.400   2.2760 -4.309000 4.552000 
1 1 1   94    8   12 o   9.9100   2.4320 0.1740000 4.863000 
1 1 1   94    9    0 o   9.7630   3.4940 -0.000000 0.000000 
1 1 1   94    9    1 o   11.810   2.2400 6.381000 4.480000 
1 1 1   94    9    2 o   7.7260   2.1770 4.163000 4.353000 
1 1 1   94    9    3 o   7.9350   2.1590 4.535000 4.318000 
1 1 1   94    9    4 o   7.0950   2.1410 -2.179000 4.282000 
1 1 1   94    9    5 o   6.8300   2.1140 -0.4763000 4.228000 
1 1 1   94    9    6 o   10.830   2.4210 0.4243000 4.842000 
1 1 1   94    9    7 o   14.590   2.0820 -3.661000 4.164000 
1 1 1   94    9    8 o   13.040   2.2810 2.559000 4.562000 
1 1 1   94    9    9 o   8.7050   2.2700 4.598000 4.540000 
1 1 1   94    9   10 o   12.870   2.2150 -6.184000 4.429000 
1 1 1   94    9   11 o   9.2720   2.4290 1.663000 4.857000 
1 1 1   94   10    0 o   12.210   3.2180 -0.000000 0.000000 
1 1 1   94   10    1 o   13.780   2.1500 3.475000 4.300000 
1 1 1   94   10    2 o   8.9360   2.2850 2.859000 4.570000 
1 1 1   94   10    3 o   9.4570   2.3600 0.1633000 4.721000 
1 1 1   94   10    4 o   8.0450   2.2910 -0.4920000 4.582000 
1 1 1   94   10    5 o   8.2570   2.2420 -2.813000 4.484000 
1 1 1   94   10    6 o   10.080   2.4240 -1.194000 4.847000 
1 1 1   94   10    7 o   8.2410   2.3270 1.590000 4.654000 
1 1 1   94   10    8 o   6.8070   2.1470 -0.6782000E-01 4.294000 
1 1 1   94   10    9 o   12.780   2.1930 -6.693000 4.386000 
1 1 1   94   11    0 o   10.430   3.3300 -0.000000 0.000000 
1 1 1   94   11    1 f   10.680   2.3480 -2.306000 4.696000 
1 1 1   94   11    2 o   11.840   2.2880 -1.888000 4.577000 
1 1 1   94   11    3 o   12.430   2.2090 4.585000 4.417000 
1 1 1   94   11    4 o   8.7650   2.2860 2.734000 4.573000 
1 1 1   94   11    5 o   11.360   2.1880 4.633000 4.377000 
1 1 1   94   11    6 o   11.870   2.3080 0.3126000 4.617000 
1 1 1   95    0    1 o   12.250   3.5950 -0.000000 0.000000 
1 1 1   95    0    2 o   9.2360   3.5620 -0.000000 0.000000 
1 1 1   95    0    3 o   8.9070   3.5390 -0.000000 0.000000 
1 1 1   95    0    4 o   11.700   3.5940 -0.000000 0.000000 
1 1 1   95    0    5 o   8.0340   3.4080 -0.000000 0.000000 
1 1 1   95    0    6 o   16.690   2.9250 -0.000000 0.000000 
1 1 1   95    0    7 o   8.9060   3.5610 -0.000000 0.000000 
1 1 1   95    0    8 o   32.800   1.5300 -0.000000 0.000000 
1 1 1   95    0    9 o   7.5720   3.2660 -0.000000 0.000000 
1 1 1   95    0   10 o   16.860   2.8270 -0.000000 0.000000 
1 1 1   95    0   11 o   10.960   3.5380 -0.000000 0.000000 
1 1 1   95    0   12 o   12.710   3.4530 -0.000000 0.000000 
1 1 1   95    0   13 o   18.760   2.3700 -0.000000 0.000000 
1 1 1   95    0   14 o   7.4160   3.1880 -0.000000 0.000000 
1 1 1   95    0   15 f   19.040   2.3540 -0.000000 0.000000 
1 1 1   95    0   16 o   10.020   3.4720 -0.000000 0.000000 
1 1 1   95    1    0 o   9.0300   3.5790 -0.000000 0.000000 
1 1 1   95    1    1 o   20.150   1.8160 -5.845000 3.632000 
1 1 1   95    1    2 o   11.020   2.5560 3.880000 5.113000 
1 1 1   95    1    3 o   12.580   2.5630 2.533000 5.126000 
1 1 1   95    1    4 o   9.8450   2.5420 -1.188000 5.084000 
1 1 1   95    1    5 o   12.380   2.4460 4.143000 4.892000 
1 1 1   95    1    6 o   7.7690   2.3380 -1.954000 4.675000 
1 1 1   95    1    7 o   7.1960   2.2340 2.274000 4.467000 
1 1 1   95    1    8 o   12.760   2.4270 -5.000000 4.855000 
1 1 1   95    1    9 o   9.5170   2.5320 -1.249000 5.064000 
1 1 1   95    1   10 o   13.910   2.3420 0.3231000 4.683000 
1 1 1   95    1   11 o   7.2140   2.1610 -3.398000 4.323000 
1 1 1   95    1   12 o   7.8340   2.3130 0.7686000 4.625000 
1 1 1   95    1   13 o   8.2110   2.3540 -1.581000 4.708000 
1 1 1   95    1   14 f   15.970   1.9830 -3.470000 3.966000 
1 1 1   95    1   15 o   11.800   2.3710 3.534000 4.742000 
1 1 1   95    1   16 o   8.1880   2.3070 2.837000 4.614000 
1 1 1   95    2    0 o   8.9080   3.5410 -0.000000 0.000000 
1 1 1   95    2    1 o   19.550   1.8350 -3.030000 3.669000 
1 1 1   95    2    2 o   23.400   1.4920 1.999000 2.985000 
1 1 1   95    2    3 o   12.880   2.5340 0.9800000 5.069000 
1 1 1   95    2    4 o   10.960   2.4680 -3.481000 4.935000 
1 1 1   95    2    5 o   23.260   1.4410 -1.753000 2.882000 
1 1 1   95    2    6 o   11.260   2.5640 -0.7808000 5.129000 
1 1 1   95    2    7 o   9.0590   2.4930 0.2713000 4.985000 
1 1 1   95    2    8 o   16.420   2.0510 -3.418000 4.101000 
1 1 1   95    2    9 o   16.720   2.0120 6.591000 4.025000 
1 1 1   95    2   10 o   11.230   2.5150 -2.441000 5.030000 
1 1 1   95    2   11 o   8.1170   2.3320 -1.635000 4.665000 
1 1 1   95    2   12 o   9.8650   2.4460 -0.2995000 4.891000 
1 1 1   95    2   13 o   13.540   2.2500 -0.9888000E-01 4.501000 
1 1 1   95    2   14 f   10.290   2.3970 2.939000 4.794000 
1 1 1   95    2   15 o   15.940   1.9260 1.895000 3.851000 
1 1 1   95    2   16 o   7.6990   2.2600 -1.065000 4.521000 
1 1 1   95    3    0 o   24.320   1.5050 -0.000000 0.000000 
1 1 1   95    3    1 o   7.3220   2.1260 -0.5177000 4.252000 
1 1 1   95    3    2 o   14.400   1.8010 -4.017000 3.603000 
1 1 1   95    3    3 o   7.1660   2.0540 2.220000 4.109000 
1 1 1   95    3    4 o   7.5390   1.9250 -5.652000 3.850000 
1 1 1   95    3    5 o   24.590   1.0520 -0.1134000 2.105000 
1 1 1   95    3    6 o   25.470   1.0120 2.363000 2.024000 
1 1 1   95    3    7 o   13.720   1.8570 6.897000 3.715000 
1 1 1   95    3    8 f   8.9160   2.1820 -1.086000 4.364000 
1 1 1   95    3    9 o   9.7370   2.2090 0.8429000 4.418000 
1 1 1   95    3   10 o   9.5410   2.1960 0.5540000 4.391000 
1 1 1   95    3   11 o   8.0450   2.0950 2.684000 4.189000 
1 1 1   95    3   12 o   5.7780   1.8500 0.5393000 3.699000 
1 1 1   95    3   13 o   6.3150   1.9040 2.552000 3.807000 
1 1 1   95    3   14 o   10.330   2.1050 2.523000 4.210000 
1 1 1   95    3   15 o   7.4920   2.1480 -0.2783000 4.295000 
1 1 1   95    4    0 o   19.730   1.8450 -0.000000 0.000000 
1 1 1   95    4    1 o   10.780   2.1580 -0.9081000 4.317000 
1 1 1   95    4    2 o   10.010   2.1970 -2.115000 4.393000 
1 1 1   95    4    3 o   15.450   1.6740 2.969000 3.348000 
1 1 1   95    4    4 o   18.300   1.3440 3.402000 2.688000 
1 1 1   95    4    5 o   12.770   1.8980 -5.707000 3.796000 
1 1 1   95    4    6 f   8.4400   2.1830 1.599000 4.366000 
1 1 1   95    4    7 f   8.8820   2.1980 1.083000 4.396000 
1 1 1   95    4    8 o   7.3140   2.0000 3.758000 4.001000 
1 1 1   95    4    9 o   11.340   2.0030 5.111000 4.005000 
1 1 1   95    4   10 o   9.1820   2.2050 -0.8410000 4.410000 
1 1 1   95    4   11 o   11.580   1.9870 4.311000 3.973000 
1 1 1   95    4   12 o   7.1420   1.9740 3.145000 3.947000 
1 1 1   95    4   13 o   11.630   1.9920 -0.5296000 3.984000 
1 1 1   95    4   14 o   15.300   1.5560 -0.3081000 3.112000 
1 1 1   95    4   15 o   10.310   2.0390 2.871000 4.079000 
1 1 1   95    5    0 o   7.9820   3.2390 -0.000000 0.000000 
1 1 1   95    5    1 o   7.6970   2.2040 3.331000 4.408000 
1 1 1   95    5    2 o   7.3930   2.2010 1.879000 4.402000 
1 1 1   95    5    3 o   12.600   2.2110 2.736000 4.423000 
1 1 1   95    5    4 o   9.6810   2.2660 3.108000 4.532000 
1 1 1   95    5    5 o   25.050   1.1760 -4.238000 2.352000 
1 1 1   95    5    6 o   15.360   2.6980      ?      ? 
1 1 1   95    5    7 o   14.070   2.0570 -1.774000 4.114000 
1 1 1   95    5    8 o   15.020   1.9360 -3.449000 3.872000 
1 1 1   95    5    9 o   6.5830   2.0430 -2.022000 4.086000 
1 1 1   95    5   10 o   14.030   1.9830 3.519000 3.966000 
1 1 1   95    5   11 o   12.800   2.0840 0.4538000 4.168000 
1 1 1   95    5   12 o   8.0020   2.1700 1.048000 4.339000 
1 1 1   95    5   13 o   11.430   2.1920 -2.265000 4.384000 
1 1 1   95    5   14 o   11.600   2.1230 -0.3324000 4.245000 
1 1 1   95    6    0 f   5.3360   2.5890 -0.000000 0.000000 
1 1 1   95    6    1 o   9.3210   2.1970 -6.271000 4.393000 
1 1 1   95    6    2 o   9.7700   2.4280 -1.555000 4.856000 
1 1 1   95    6    3 o   12.410   2.3050 -0.8326000 4.610000 
1 1 1   95    6    4 o   14.640   2.0880 -4.161000 4.176000 
1 1 1   95    6    5 o   7.3610   2.2230 -0.2563000E-02 4.447000 
1 1 1   95    6    6 o   9.3530   2.3870 -1.945000 4.775000 
1 1 1   95    6    7 o   9.7420   2.3750 -3.472000 4.751000 
1 1 1   95    6    8 o   10.060   2.4270 -1.498000 4.853000 
1 1 1   95    6    9 o   10.360   2.3710 2.505000 4.742000 
1 1 1   95    6   10 o   6.0240   1.9730 0.9576000 3.946000 
1 1 1   95    6   11 o   6.9630   2.1560 0.8164000E-01 4.313000 
1 1 1   95    6   12 o   10.290   2.3650 -1.435000 4.730000 
1 1 1   95    6   13 o   7.1150   2.1890 -0.5981000 4.378000 
1 1 1   95    6   14 o   7.6100   2.2690 -0.9759000E-02 4.539000 
1 1 1   95    7    0 o   13.610   3.1540 -0.000000 0.000000 
1 1 1   95    7    1 o   10.530   2.2160 6.309000 4.431000 
1 1 1   95    7    2 o   12.530   2.3950 -1.501000 4.790000 
1 1 1   95    7    3 o   18.930   1.6910 6.172000 3.381000 
1 1 1   95    7    4 o   15.190   2.0070 0.1946000E-01 4.015000 
1 1 1   95    7    5 o   8.6410   2.3490 -1.085000 4.698000 
1 1 1   95    7    6 o   10.370   2.3860 2.900000 4.772000 
1 1 1   95    7    7 o   15.180   2.0700 -0.5535000 4.139000 
1 1 1   95    7    8 o   9.9630   2.4320 1.334000 4.863000 
1 1 1   95    7    9 o   9.0370   2.3870 1.172000 4.774000 
1 1 1   95    7   10 o   6.7150   2.1050 1.280000 4.209000 
1 1 1   95    7   11 f   6.1060   1.9920 -0.1063000E-01 3.985000 
1 1 1   95    7   12 f   9.4300   2.3950 1.843000 4.790000 
1 1 1   95    7   13 o   7.0720   2.2220 0.5505000E-01 4.444000 
1 1 1   95    8    0 o   6.2960   2.9120 -0.000000 0.000000 
1 1 1   95    8    1 o   13.730   2.2110 -3.174000 4.421000 
1 1 1   95    8    2 o   7.7590   2.2810 1.790000 4.562000 
1 1 1   95    8    3 f   13.240   2.2380 2.467000 4.475000 
1 1 1   95    8    4 o   10.490   2.3860 0.9042000 4.772000 
1 1 1   95    8    5 o   10.890   2.3370 2.598000 4.674000 
1 1 1   95    8    6 o   6.6410   2.0810 2.230000 4.161000 
1 1 1   95    8    7 o   8.3360   2.3410 0.7664000 4.682000 
1 1 1   95    8    8 o   11.340   2.2970 4.341000 4.594000 
1 1 1   95    8    9 o   10.210   2.0660 8.330000 4.132000 
1 1 1   95    8   10 o   6.5540   2.0980 0.1868000 4.197000 
1 1 1   95    8   11 o   10.510   2.0540 8.492000 4.108000 
1 1 1   95    9    0 o   11.960   3.2780 -0.000000 0.000000 
1 1 1   95    9    1 o   17.300   1.7540 0.3299000 3.509000 
1 1 1   95    9    2 o   12.660   2.1870 -4.776000 4.374000 
1 1 1   95    9    3 o   9.9230   2.3590 -2.185000 4.718000 
1 1 1   95    9    4 o   10.500   2.3220 -3.522000 4.644000 
1 1 1   95    9    5 o   8.4830   2.3290 0.4715000 4.657000 
1 1 1   95    9    6 o   8.6730   2.3460 -1.788000 4.693000 
1 1 1   95    9    7 o   8.6340   2.3660 1.287000 4.732000 
1 1 1   95    9    8 o   7.3110   2.1810 3.646000 4.363000 
1 1 1   95    9    9 o   6.7710   2.0940 -2.687000 4.187000 
1 1 1   95    9   10 o   7.7000   2.3010 1.153000 4.602000 
1 1 1   95   10    0 f   6.0040   2.8040 -0.000000 0.000000 
1 1 1   95   10    1 o   14.770   2.0810 -1.645000 4.163000 
1 1 1   95   10    2 o   10.270   2.3430 -4.068000 4.687000 
1 1 1   95   10    3 o   7.2950   2.1990 0.1300000E-01 4.399000 
1 1 1   95   10    4 o   9.0340   2.3350 2.548000 4.669000 
1 1 1   95   10    5 o   10.060   2.4030 1.367000 4.805000 
1 1 1   95   10    6 o   9.9450   2.2460 5.748000 4.493000 
1 1 1   95   10    7 o   8.3840   2.2220 -3.755000 4.443000 
1 1 1   95   10    8 o   12.150   3.0930 -1.632000 6.187000 
1 1 1   95   11    0 o   6.9100   3.0360 -0.000000 0.000000 
1 1 1   95   11    1 o   9.5350   2.1650 -6.123000 4.330000 
1 1 1   95   11    2 o   7.2080   2.1760 -1.155000 4.352000 
1 1 1   95   11    3 o   6.2200   1.9980 -0.6946000 3.995000 
1 1 1   95   11    4 o   7.3230   2.1470 -2.974000 4.295000 
1 1 1   96    0    0 o   11.940   4.3610 -0.000000 0.000000 
1 1 1   96    0    1 o   12.490   3.6790 -0.000000 0.000000 
1 1 1   96    0    2 o   8.5220   3.4800 -0.000000 0.000000 
1 1 1   96    0    3 o   8.7080   3.5410 -0.000000 0.000000 
1 1 1   96    0    4 o   8.8260   3.5550 -0.000000 0.000000 
1 1 1   96    0    5 o   6.2150   2.9140 -0.000000 0.000000 
1 1 1   96    0    6 o   10.310   3.5940 -0.000000 0.000000 
1 1 1   96    0    7 o   16.700   2.9300 -0.000000 0.000000 
1 1 1   96    0    8 o   9.0370   3.5900 -0.000000 0.000000 
1 1 1   96    0    9 o   18.830   2.6210 -0.000000 0.000000 
1 1 1   96    0   10 o   10.680   3.5740 -0.000000 0.000000 
1 1 1   96    0   11 o   8.0460   3.3750 -0.000000 0.000000 
1 1 1   96    0   12 o   7.3790   3.1930 -0.000000 0.000000 
1 1 1   96    0   13 o   17.240   2.5550 -0.000000 0.000000 
1 1 1   96    0   14 o   11.300   3.4940 -0.000000 0.000000 
1 1 1   96    0   15 o   7.3690   3.1990 -0.000000 0.000000 
1 1 1   96    1    0 o   31.320   1.6930 -0.000000 0.000000 
1 1 1   96    1    1 o   13.900   2.4520 2.911000 4.904000 
1 1 1   96    1    2 f   8.6030   2.4480 2.591000 4.897000 
1 1 1   96    1    3 o   10.990   2.5460 -3.814000 5.092000 
1 1 1   96    1    4 o   9.5430   2.5210 -1.686000 5.042000 
1 1 1   96    1    5 f   13.120   2.4320 -0.2098000 4.864000 
1 1 1   96    1    6 o   24.370   1.3970 -3.080000 2.794000 
1 1 1   96    1    7 o   15.660   2.1710 0.3544000 4.343000 
1 1 1   96    1    8 o   12.890   2.4290 -0.6381000 4.857000 
1 1 1   96    1    9 f   8.4810   2.2180 -6.033000 4.436000 
1 1 1   96    1   10 o   7.4080   2.2490 2.918000 4.497000 
1 1 1   96    1   11 o   6.0470   2.0040 -0.1517000 4.008000 
1 1 1   96    1   12 o   12.830   2.3650 0.8332000 4.731000 
1 1 1   96    1   13 o   7.3400   2.2060 -1.878000 4.413000 
1 1 1   96    1   14 o   7.3890   2.2400 -1.295000 4.481000 
1 1 1   96    1   15 o   8.9600   2.2260 -5.292000 4.452000 
1 1 1   96    2    0 o   6.8190   3.1100 -0.000000 0.000000 
1 1 1   96    2    1 o   9.1790   2.4930 -2.303000 4.986000 
1 1 1   96    2    2 o   15.420   2.2000 7.191000 4.400000 
1 1 1   96    2    3 o   12.360   2.2050 9.342000 4.410000 
1 1 1   96    2    4 o   15.070   2.2060 -5.576000 4.412000 
1 1 1   96    2    5 o   8.3900   2.4120 -0.4520000 4.824000 
1 1 1   96    2    6 o   10.630   2.5310 -0.3041000 5.062000 
1 1 1   96    2    7 o   7.4210   2.2790 1.343000 4.558000 
1 1 1   96    2    8 o   10.710   2.4970 -1.437000 4.994000 
1 1 1   96    2    9 o   11.100   2.4740 1.943000 4.948000 
1 1 1   96    2   10 o   9.5360   2.4500 -1.579000 4.900000 
1 1 1   96    2   11 o   10.060   2.1910 -7.299000 4.381000 
1 1 1   96    2   12 o   8.1920   2.3140 -1.360000 4.629000 
1 1 1   96    2   13 o   14.730   2.0610 -2.348000 4.123000 
1 1 1   96    2   14 o   9.3050   2.4110 0.7277000 4.822000 
1 1 1   96    2   15 o   8.2740   2.1200 6.683000 4.240000 
1 1 1   96    3    0 o   13.600   2.6900 -0.000000 0.000000 
1 1 1   96    3    1 f   26.600   0.9824 -0.1007000 1.965000 
1 1 1   96    3    2 o   11.660   2.0320 -4.390000 4.063000 
1 1 1   96    3    3 o   8.8150   2.2020 0.8002000 4.404000 
1 1 1   96    3    4 o   11.270   2.0820 -2.473000 4.165000 
1 1 1   96    3    5 o   10.380   2.1940 -0.3728000 4.388000 
1 1 1   96    3    6 o   19.150   1.3280 2.829000 2.656000 
1 1 1   96    3    7 o   14.280   1.8010 2.766000 3.601000 
1 1 1   96    3    8 o   9.0790   2.1570 -2.410000 4.313000 
1 1 1   96    3    9 o   9.1340   2.1340 3.644000 4.268000 
1 1 1   96    3   10 o   19.420   1.2690 -0.3382000 2.537000 
1 1 1   96    3   11 o   8.4380   2.1470 1.443000 4.295000 
1 1 1   96    3   12 o   8.1740   2.0420 -3.330000 4.084000 
1 1 1   96    3   13 o   8.5650   2.1200 1.144000 4.240000 
1 1 1   96    3   14 o   10.050   2.0710 4.772000 4.141000 
1 1 1   96    3   15 o   7.4960   2.1600 0.1278000 4.319000 
1 1 1   96    4    0 o   10.250   3.1050 -0.000000 0.000000 
1 1 1   96    4    1 o   12.930   1.8600 -8.599000 3.720000 
1 1 1   96    4    2 o   14.160   1.8370 -5.543000 3.674000 
1 1 1   96    4    3 o   13.760   1.8490 1.010000 3.697000 
1 1 1   96    4    4 o   5.3100   1.7500 0.6666000 3.501000 
1 1 1   96    4    5 o   19.880   1.2280 0.6398000 2.457000 
1 1 1   96    4    6 f   8.7530   2.2150 -1.241000 4.430000 
1 1 1   96    4    7 o   7.3290   2.0280 3.269000 4.057000 
1 1 1   96    4    8 o   8.4820   1.9600 6.194000 3.920000 
1 1 1   96    4    9 o   10.180   2.1730 -0.6548000 4.345000 
1 1 1   96    4   10 o   9.6620   2.1050 -4.100000 4.210000 
1 1 1   96    4   11 o   12.580   1.9190 0.3114000E-01 3.838000 
1 1 1   96    4   12 o   8.8920   2.1480 0.8161000E-01 4.296000 
1 1 1   96    4   13 o   9.2220   2.1350 -1.906000 4.271000 
1 1 1   96    4   14 o   9.1480   2.0350 3.858000 4.069000 
1 1 1   96    5    0 o   11.120   3.3360 -0.000000 0.000000 
1 1 1   96    5    1 o   15.760   1.9150 -2.057000 3.829000 
1 1 1   96    5    2 o   18.160   1.6900 3.822000 3.380000 
1 1 1   96    5    3 o   9.5990   2.3790 -0.6069000 4.757000 
1 1 1   96    5    4 o   21.700   1.8120      ?      ? 
1 1 1   96    5    5 o   9.3030   2.3000 -3.038000 4.601000 
1 1 1   96    5    6 o   7.6890   2.2030 -2.780000 4.406000 
1 1 1   96    5    7 o   9.8590   2.2310 -5.362000 4.461000 
1 1 1   96    5    8 o   12.280   2.0920 3.338000 4.184000 
1 1 1   96    5    9 o   18.330   1.4850 -0.2323000 2.970000 
1 1 1   96    5   10 o   8.8870   2.2960 -2.080000 4.592000 
1 1 1   96    5   11 o   7.0000   2.0910 0.5879000 4.181000 
1 1 1   96    5   12 o   9.5320   2.2310 -0.6787000 4.461000 
1 1 1   96    5   13 o   8.0040   2.2160 -2.620000 4.431000 
1 1 1   96    5   14 o   6.6280   2.0820 1.888000 4.163000 
1 1 1   96    6    0 o   24.780   1.7030 -0.000000 0.000000 
1 1 1   96    6    1 o   10.800   2.3930 -2.775000 4.785000 
1 1 1   96    6    2 o   8.3510   2.3690 0.7943000 4.738000 
1 1 1   96    6    3 o   13.150   2.2560 -2.170000 4.512000 
1 1 1   96    6    4 f   12.110   2.2940 2.446000 4.587000 
1 1 1   96    6    5 f   7.9420   2.2040 -3.576000 4.408000 
1 1 1   96    6    6 o   11.600   2.3650 2.067000 4.730000 
1 1 1   96    6    7 o   17.080   1.8560 -0.5077000 3.712000 
1 1 1   96    6    8 o   7.9590   2.3010 0.7437000 4.602000 
1 1 1   96    6    9 o   8.4500   2.2130 4.759000 4.426000 
1 1 1   96    6   10 o   8.9680   2.1890 5.426000 4.378000 
1 1 1   96    6   11 o   8.7280   2.0890 -6.655000 4.177000 
1 1 1   96    6   12 o   10.490   2.1510 7.089000 4.302000 
1 1 1   96    6   13 o   6.2980   2.0290 1.180000 4.059000 
1 1 1   96    7    0 o   7.7460   3.2540 -0.000000 0.000000 
1 1 1   96    7    1 o   12.610   2.3740 -1.042000 4.749000 
1 1 1   96    7    2 o   7.8920   2.2790 1.335000 4.558000 
1 1 1   96    7    3 o   11.360   2.3500 3.041000 4.699000 
1 1 1   96    7    4 o   12.940   2.2550 -3.066000 4.510000 
1 1 1   96    7    5 o   14.200   2.1050 -5.947000 4.210000 
1 1 1   96    7    6 o   8.1080   2.2940 -1.577000 4.588000 
1 1 1   96    7    7 o   6.4250   2.0500 -2.018000 4.100000 
1 1 1   96    7    8 o   14.200   2.1190 6.585000 4.238000 
1 1 1   96    7    9 o   8.2840   2.2420 3.766000 4.483000 
1 1 1   96    7   10 f   7.6360   2.1810 -4.128000 4.361000 
1 1 1   96    7   11 o   8.7160   2.2330 -4.283000 4.465000 
1 1 1   96    7   12 o   7.4750   2.2340 -1.617000 4.468000 
1 1 1   96    8    0 o   7.6230   3.2150 -0.000000 0.000000 
1 1 1   96    8    1 o   13.070   2.2350 -2.421000 4.470000 
1 1 1   96    8    2 o   9.3390   2.3030 4.153000 4.606000 
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1 1 1   97    9    2 o   16.530   2.5550      ?      ? 
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1 1 1   98    7   10 o   8.4880   2.3830 0.7713000 4.766000 
1 1 1   98    8    0 o   6.1940   2.8380 -0.000000 0.000000 
1 1 1   98    8    1 o   15.580   2.6640      ?      ? 
1 1 1   98    8    2 o   11.990   2.2460 -5.318000 4.491000 
1 1 1   98    8    3 o   13.840   2.1480 3.468000 4.295000 
1 1 1   98    8    4 o   9.6610   2.3540 2.520000 4.708000 
1 1 1   98    8    5 f   8.0060   2.2450 -2.191000 4.490000 
1 1 1   98    8    6 o   8.7970   2.3720 -1.213000 4.745000 
1 1 1   98    8    7 o   6.3470   2.0580 1.397000 4.116000 
1 1 1   98    8    8 o   7.9190   2.2400 3.493000 4.479000 
1 1 1   98    9    0 o   5.7560   2.7210 -0.000000 0.000000 
1 1 1   98    9    1 o   13.310   2.1520 -7.907000 4.303000 
1 1 1   98    9    2 f   11.700   2.2630 4.939000 4.526000 
1 1 1   98    9    3 o   8.5930   2.2940 3.072000 4.588000 
1 1 1   98    9    4 o   8.2150   2.3130 -0.6011000 4.626000 
1 1 1   98    9    5 o   10.190   1.9510 -9.067000 3.902000 
1 1 1   98    9    6 o   9.1560   2.4610 1.340000 4.922000 
1 1 1   99    0    1 o   7.1220   3.2020 -0.000000 0.000000 
1 1 1   99    0    2 o   7.8700   3.3710 -0.000000 0.000000 
1 1 1   99    0    3 o   14.200   3.3000 -0.000000 0.000000 
1 1 1   99    0    4 o   6.9950   3.1010 -0.000000 0.000000 
1 1 1   99    0    5 o   6.5360   2.9970 -0.000000 0.000000 
1 1 1   99    0    6 o   16.590   2.9830 -0.000000 0.000000 
1 1 1   99    0    7 o   9.0450   3.4730 -0.000000 0.000000 
1 1 1   99    0    8 o   6.4800   2.9770 -0.000000 0.000000 
1 1 1   99    0    9 o   5.9460   2.8070 -0.000000 0.000000 
1 1 1   99    0   10 o   7.4290   3.2200 -0.000000 0.000000 
1 1 1   99    0   11 o   10.960   3.5370 -0.000000 0.000000 
1 1 1   99    0   12 f   7.7300   3.3050 -0.000000 0.000000 
1 1 1   99    0   13 o   11.530   3.5370 -0.000000 0.000000 
1 1 1   99    1    0 f   19.650   2.5680 -0.000000 0.000000 
1 1 1   99    1    1 o   7.7100   2.3360 -2.129000 4.673000 
1 1 1   99    1    2 o   17.840   1.9740 -3.531000 3.949000 
1 1 1   99    1    3 o   19.070   1.7390 5.391000 3.477000 
1 1 1   99    1    4 o   7.9140   2.3120 -1.321000 4.624000 
1 1 1   99    1    5 o   7.7320   2.2040 -4.642000 4.408000 
1 1 1   99    1    6 o   11.450   2.5180 -0.2544000 5.036000 
1 1 1   99    1    7 o   11.690   2.3310 5.764000 4.662000 
1 1 1   99    1    8 f   11.470   2.4720 1.612000 4.944000 
1 1 1   99    1    9 o   10.080   2.4300 -2.954000 4.860000 
1 1 1   99    1   10 o   10.850   2.4650 -0.6598000 4.930000 
1 1 1   99    1   11 o   9.0610   2.4190 -2.150000 4.839000 
1 1 1   99    1   12 o   10.190   2.4950 1.631000 4.990000 
1 1 1   99    1   13 o   11.200   2.4890 1.399000 4.977000 
1 1 1   99    2    0 o   14.680   3.2680 -0.000000 0.000000 
1 1 1   99    2    1 o   14.800   2.2020 -9.672000 4.404000 
1 1 1   99    2    2 o   12.970   2.3570 -2.841000 4.714000 
1 1 1   99    2    3 o   10.590   2.4330 -0.2825000 4.867000 
1 1 1   99    2    4 o   20.200   1.5110 3.004000 3.022000 
1 1 1   99    2    5 o   7.6840   2.2720 -1.276000 4.545000 
1 1 1   99    2    6 o   6.9990   2.1940 -1.629000 4.389000 
1 1 1   99    2    7 o   9.9290   2.4140 4.830000 4.828000 
1 1 1   99    2    8 o   6.9850   2.1800 1.457000 4.360000 
1 1 1   99    2    9 o   10.180   2.4560 -1.542000 4.912000 
1 1 1   99    2   10 o   10.370   2.2770 5.946000 4.555000 
1 1 1   99    2   11 o   12.500   2.3860 3.380000 4.772000 
1 1 1   99    2   12 o   10.420   2.4750 0.4135000 4.950000 
1 1 1   99    2   13 o   14.950   2.1550 1.594000 4.309000 
1 1 1   99    3    0 o   23.830   1.5310 -0.000000 0.000000 
1 1 1   99    3    1 o   8.1340   2.1460 -1.470000 4.293000 
1 1 1   99    3    2 o   16.130   1.5530 0.9048000 3.107000 
1 1 1   99    3    3 o   8.1630   2.0280 -3.950000 4.056000 
1 1 1   99    3    4 o   8.3910   2.0950 2.460000 4.189000 
1 1 1   99    3    5 o   15.270   1.6200 -1.945000 3.241000 
1 1 1   99    3    6 o   12.120   1.9860 -2.285000 3.973000 
1 1 1   99    3    7 o   6.3850   1.9540 1.122000 3.908000 
1 1 1   99    3    8 o   17.860   1.3940 5.105000 2.788000 
1 1 1   99    3    9 o   7.5370   2.0610 2.223000 4.121000 
1 1 1   99    3   10 o   9.4420   2.1910 -0.7563000 4.382000 
1 1 1   99    3   11 o   7.6750   2.0970 1.469000 4.194000 
1 1 1   99    3   12 f   16.660   1.6240 2.122000 3.248000 
1 1 1   99    4    0 o   5.8930   2.6650 -0.000000 0.000000 
1 1 1   99    4    1 o   7.9320   2.0970 -2.789000 4.195000 
1 1 1   99    4    2 o   10.990   2.0640 3.043000 4.129000 
1 1 1   99    4    3 o   7.1460   2.0280 -2.049000 4.056000 
1 1 1   99    4    4 o   8.0710   2.0710 -1.916000 4.142000 
1 1 1   99    4    5 o   10.850   2.0880 1.781000 4.175000 
1 1 1   99    4    6 o   14.670   1.7220 -2.634000 3.443000 
1 1 1   99    4    7 o   6.8280   2.0380 -1.030000 4.076000 
1 1 1   99    4    8 o   9.2300   2.1690 1.507000 4.338000 
1 1 1   99    4    9 o   7.1200   2.0430 1.243000 4.087000 
1 1 1   99    4   10 o   8.9820   2.1010 3.436000 4.201000 
1 1 1   99    4   11 o   11.960   1.9630 3.095000 3.926000 
1 1 1   99    4   12 o   14.270   1.7440 3.644000 3.489000 
1 1 1   99    5    0 o   7.3190   3.1440 -0.000000 0.000000 
1 1 1   99    5    1 o   5.9610   1.9510 -1.602000 3.901000 
1 1 1   99    5    2 o   13.040   2.2310 2.713000 4.462000 
1 1 1   99    5    3 o   7.8660   2.1900 0.6351000E-01 4.380000 
1 1 1   99    5    4 o   5.2390   1.7570 -2.391000 3.514000 
1 1 1   99    5    5 o   11.880   2.1520 2.867000 4.304000 
1 1 1   99    5    6 o   12.110   2.0750 -6.037000 4.150000 
1 1 1   99    5    7 o   11.640   2.1730 -4.046000 4.347000 
1 1 1   99    5    8 o   8.9680   2.2590 -2.168000 4.518000 
1 1 1   99    5    9 o   10.350   2.2140 -2.662000 4.429000 
1 1 1   99    5   10 o   12.380   1.9310 -3.212000 3.863000 
1 1 1   99    5   11 o   12.120   1.9520 1.198000 3.904000 
1 1 1   99    6    0 o   6.3740   2.9220 -0.000000 0.000000 
1 1 1   99    6    1 o   9.6460   2.3810 1.702000 4.763000 
1 1 1   99    6    2 o   10.470   2.3030 4.501000 4.606000 
1 1 1   99    6    3 o   9.7000   2.2740 -4.603000 4.548000 
1 1 1   99    6    4 o   7.2530   2.1700 -1.797000 4.340000 
1 1 1   99    6    5 o   15.750   1.9960 -0.8471000 3.992000 
1 1 1   99    6    6 o   11.580   2.2830 -4.767000 4.565000 
1 1 1   99    6    7 o   10.780   2.3120 -3.894000 4.625000 
1 1 1   99    6    8 o   12.240   2.2770 1.942000 4.554000 
1 1 1   99    6    9 o   9.3280   2.3240 3.399000 4.647000 
1 1 1   99    6   10 o   10.480   2.3910 0.4344000 4.783000 
1 1 1   99    7    0 o   10.640   3.4640 -0.000000 0.000000 
1 1 1   99    7    1 o   8.1600   2.3040 -0.3178000 4.609000 
1 1 1   99    7    2 o   10.070   2.3590 -1.004000 4.718000 
1 1 1   99    7    3 o   10.750   2.3740 1.355000 4.747000 
1 1 1   99    7    4 f   8.2420   2.2240 4.490000 4.448000 
1 1 1   99    7    5 o   13.740   2.0800 7.073000 4.161000 
1 1 1   99    7    6 o   6.1210   2.0100 0.7897000E-01 4.020000 
1 1 1   99    7    7 o   12.590   2.2700 -3.819000 4.539000 
1 1 1   99    7    8 o   11.140   2.0910 8.503000 4.181000 
1 1 1   99    7    9 o   7.9930   2.4570 1.858000 4.914000 
1 1 1   99    8    0 o   8.8640   3.3830 -0.000000 0.000000 
1 1 1   99    8    1 o   8.1850   2.3100 2.028000 4.620000 
1 1 1   99    8    2 o   9.9600   2.4100 0.6957000 4.820000 
1 1 1   99    8    3 o   9.5210   2.4120 0.1707000 4.824000 
1 1 1   99    8    4 o   12.470   2.1750 6.552000 4.350000 
1 1 1   99    8    5 o   10.280   2.3950 2.777000 4.790000 
1 1 1   99    8    6 o   10.370   2.3820 3.524000 4.763000 
1 1 1   99    8    7 o   11.160   2.5120 2.340000 5.024000 
1 1 1   99    9    0 o   15.830   2.7020 -0.000000 0.000000 
1 1 1   99    9    1 o   7.0090   2.1580 -0.1326000 4.317000 
1 1 1   99    9    2 o   11.880   2.0880 -8.395000 4.177000 
1 1 1   99    9    3 o   11.290   2.2260 -6.431000 4.452000 
1 1 1  100    0    0 o   17.140   3.9520 -0.000000 0.000000 
1 1 1  100    0    1 o   10.560   3.5850 -0.000000 0.000000 
1 1 1  100    0    2 o   7.5440   3.2400 -0.000000 0.000000 
1 1 1  100    0    3 o   5.9920   2.8130 -0.000000 0.000000 
1 1 1  100    0    4 o   7.6790   3.2410 -0.000000 0.000000 
1 1 1  100    0    5 o   7.5300   3.2470 -0.000000 0.000000 
1 1 1  100    0    6 o   11.250   3.5510 -0.000000 0.000000 
1 1 1  100    0    8 o   9.2220   3.4690 -0.000000 0.000000 
1 1 1  100    0    9 o   10.600   3.5280 -0.000000 0.000000 
1 1 1  100    0   10 o   14.650   3.1990 -0.000000 0.000000 
1 1 1  100    0   11 o   8.0160   3.3640 -0.000000 0.000000 
1 1 1  100    0   12 o   10.580   3.5760 -0.000000 0.000000 
1 1 1  100    1    0 o   14.250   3.2640 -0.000000 0.000000 
1 1 1  100    1    1 o   10.450   2.5020 -0.9187000 5.005000 
1 1 1  100    1    2 o   17.320   1.8620 -2.296000 3.723000 
1 1 1  100    1    3 o   7.8790   2.3220 -0.3686000 4.644000 
1 1 1  100    1    4 o   13.230   2.2010 -6.525000 4.402000 
1 1 1  100    1    5 f   17.030   1.8550 0.8909000E-01 3.709000 
1 1 1  100    1    6 o   6.7420   2.1600 1.741000 4.320000 
1 1 1  100    1    7 o   11.920   2.4430 -2.729000 4.887000 
1 1 1  100    1    8 o   8.8160   3.4600      ?      ? 
1 1 1  100    1    9 o   8.4300   2.1190 -7.408000 4.237000 
1 1 1  100    1   10 o   8.3520   2.2530 -5.110000 4.505000 
1 1 1  100    1   11 o   9.4120   2.4210 -3.186000 4.842000 
1 1 1  100    1   12 o   12.990   2.3490 -3.513000 4.698000 
1 1 1  100    2    0 o   12.030   3.5080 -0.000000 0.000000 
1 1 1  100    2    1 o   7.9850   2.2700 -3.062000 4.539000 
1 1 1  100    2    2 o   6.0370   1.9860 -1.457000 3.971000 
1 1 1  100    2    3 o   11.690   2.3610 -1.001000 4.723000 
1 1 1  100    2    4 o   6.9420   2.1610 1.501000 4.322000 
1 1 1  100    2    5 o   7.7350   2.2400 3.514000 4.480000 
1 1 1  100    2    6 o   7.4140   2.2460 2.606000 4.492000 
1 1 1  100    2    7 o   16.620   2.0480 -2.174000 4.096000 
1 1 1  100    2    8 o   6.8100   2.1630 -1.544000 4.326000 
1 1 1  100    2    9 o   7.9150   2.2080 4.475000 4.416000 
1 1 1  100    2   10 o   6.1250   2.0190 -0.8920000E-01 4.037000 
1 1 1  100    2   11 o   9.1650   2.4280 1.678000 4.856000 
1 1 1  100    2   12 o   10.980   2.4730 2.492000 4.947000 
1 1 1  100    3    0 o   8.3710   3.0870 -0.000000 0.000000 
1 1 1  100    3    1 o   9.3880   2.1520 -1.493000 4.304000 
1 1 1  100    3    2 o   11.550   2.0410 -2.219000 4.083000 
1 1 1  100    3    3 o   12.580   1.8950 -2.308000 3.790000 
1 1 1  100    3    4 o   9.9260   1.9910 5.058000 3.981000 
1 1 1  100    3    5 o   8.0460   2.1360 -0.8159000 4.272000 
1 1 1  100    3    6 o   12.810   1.8900 4.013000 3.780000 
1 1 1  100    3    7 o   5.7930   1.8450 1.855000 3.691000 
1 1 1  100    3    8 o   11.210   2.0260 -2.753000 4.051000 
1 1 1  100    3    9 o   9.7860   2.1550 0.2502000 4.309000 
1 1 1  100    3   10 o   5.5770   1.8130 0.1055000 3.625000 
1 1 1  100    3   11 o   11.560   1.9400 -5.702000 3.880000 
1 1 1  100    4    0 o   14.400   2.3960 -0.000000 0.000000 
1 1 1  100    4    1 o   8.0100   2.0260 -4.009000 4.052000 
1 1 1  100    4    2 o   10.920   2.0370 2.952000 4.073000 
1 1 1  100    4    3 o   7.0880   2.0140 -1.745000 4.027000 
1 1 1  100    4    4 o   8.5630   2.0440 3.218000 4.088000 
1 1 1  100    4    5 o   13.800   1.7870 4.294000 3.574000 
1 1 1  100    4    6 o   8.3730   2.1590 0.5393000 4.317000 
1 1 1  100    4    7 o   10.780   2.0760 -1.364000 4.151000 
1 1 1  100    4    8 o   6.1100   1.9150 0.3808000 3.829000 
1 1 1  100    4    9 o   6.4250   1.9430 1.707000 3.886000 
1 1 1  100    4   10 o   12.430   1.9380 1.447000 3.877000 
1 1 1  100    4   11 o   6.5840   1.9940 -0.4080000E-01 3.988000 
1 1 1  100    5    0 o   21.100   2.0750 -0.000000 0.000000 
1 1 1  100    5    1 o   13.410   1.9070 -7.442000 3.814000 
1 1 1  100    5    2 o   10.160   2.2490 1.821000 4.499000 
1 1 1  100    5    3 o   13.230   1.9470 -6.292000 3.895000 
1 1 1  100    5    4 o   8.8710   2.1900 -4.067000 4.379000 
1 1 1  100    5    5 o   6.3920   1.9840 1.528000 3.967000 
1 1 1  100    5    6 o   15.740   1.7300 -6.455000 3.460000 
1 1 1  100    5    7 o   9.7690   2.1500 -1.771000 4.299000 
1 1 1  100    5    8 o   7.5760   2.0790 -1.285000 4.159000 
1 1 1  100    5    9 o   7.3390   1.9990 2.920000 3.998000 
1 1 1  100    5   10 o   14.470   1.6680 2.695000 3.335000 
1 1 1  100    6    0 o   10.500   3.4290 -0.000000 0.000000 
1 1 1  100    6    1 o   6.0580   1.9930 -1.479000 3.985000 
1 1 1  100    6    2 o   6.6930   2.1020 1.461000 4.204000 
1 1 1  100    6    3 o   5.9030   1.9480 0.8481000 3.895000 
1 1 1  100    6    4 o   7.5920   2.2100 -1.461000 4.421000 
1 1 1  100    6    5 f   7.8420   2.2340 -1.623000 4.468000 
1 1 1  100    6    6 o   9.5320   2.3810 0.8632000 4.761000 
1 1 1  100    6    7 o   9.5090   2.3520 -1.404000 4.704000 
1 1 1  100    6    8 o   8.8310   2.3580 1.062000 4.717000 
1 1 1  100    6    9 o   7.8700   2.2920 0.5815000 4.585000 
1 1 1  100    7    0 o   11.580   3.3820 -0.000000 0.000000 
1 1 1  100    7    1 o   7.4270   2.2200 0.3062000 4.439000 
1 1 1  100    7    2 o   11.570   2.3120 3.650000 4.624000 
1 1 1  100    7    3 o   7.9020   2.2540 -1.699000 4.508000 
1 1 1  100    7    4 o   10.770   2.3020 -2.860000 4.605000 
1 1 1  100    7    5 o   7.6340   2.2370 1.806000 4.474000 
1 1 1  100    7    6 o   6.3500   2.0370 2.451000 4.073000 
1 1 1  100    7    7 o   7.3090   2.1220 -3.253000 4.244000 
1 1 1  100    8    0 o   8.5910   3.3510 -0.000000 0.000000 
1 1 1  100    8    1 o   10.050   2.4000 -1.677000 4.800000 
1 1 1  100    8    2 o   8.2480   2.3310 -0.8136000 4.661000 
1 1 1  100    8    3 o   6.4450   2.0420 -2.305000 4.084000 
1 1 1  100    8    4 o   6.5320   2.0680 -0.3945000 4.136000 
1 1 1  100    8    5 o   10.300   2.3000 5.740000 4.601000 
1 1 1  101    0    1 o   10.980   3.5930 -0.000000 0.000000 
1 1 1  101    0    2 o   6.7040   3.0550 -0.000000 0.000000 
1 1 1  101    0    3 o   16.260   2.9130 -0.000000 0.000000 
1 1 1  101    0    4 f   11.810   3.4410 -0.000000 0.000000 
1 1 1  101    0    6 o   6.0260   2.8270 -0.000000 0.000000 
1 1 1  101    0    7 o   14.900   3.0520 -0.000000 0.000000 
1 1 1  101    0    8 o   9.1220   3.5050 -0.000000 0.000000 
1 1 1  101    0    9 o   6.2910   2.9170 -0.000000 0.000000 
1 1 1  101    0   10 o   5.3070   2.5920 -0.000000 0.000000 
1 1 1  101    0   11 o   6.9360   3.1060 -0.000000 0.000000 
1 1 1  101    1    0 o   15.850   2.8890 -0.000000 0.000000 
1 1 1  101    1    1 o   10.210   3.5190      ?      ? 
1 1 1  101    1    2 o   6.7830   2.1590 1.540000 4.317000 
1 1 1  101    1    3 o   13.630   2.1420 -8.886000 4.285000 
1 1 1  101    1    4 o   11.680   2.3390 -4.652000 4.678000 
1 1 1  101    1    5 o   8.3860   2.3160 3.310000 4.632000 
1 1 1  101    1    6 o   9.5580   2.4650 1.811000 4.929000 
1 1 1  101    1    7 o   9.3760   2.4630 -1.874000 4.925000 
1 1 1  101    1    8 o   9.6920   2.4560 1.489000 4.911000 
1 1 1  101    1    9 o   7.7030   2.3170 1.401000 4.635000 
1 1 1  101    1   10 o   10.550   2.4560 -3.408000 4.911000 
1 1 1  101    1   11 o   13.450   2.2630 5.959000 4.526000 
1 1 1  101    2    0 o   8.0890   3.3420 -0.000000 0.000000 
1 1 1  101    2    1 o   16.100   1.9200 1.486000 3.840000 
1 1 1  101    2    2 o   14.590   2.1250 -1.132000 4.250000 
1 1 1  101    2    3 o   5.8790   1.9380 2.703000 3.876000 
1 1 1  101    2    4 o   14.960   2.1300 4.321000 4.260000 
1 1 1  101    2    5 o   8.0770   2.3490 -1.287000 4.699000 
1 1 1  101    2    6 f   12.010   2.3420 5.366000 4.685000 
1 1 1  101    2    7 o   7.5130   2.2190 -3.376000 4.437000 
1 1 1  101    2    8 o   9.8890   2.4910 0.8274000 4.982000 
1 1 1  101    2    9 o   8.4020   2.2980 3.863000 4.595000 
1 1 1  101    2   10 o   10.070   2.4510 3.144000 4.903000 
1 1 1  101    2   11 o   7.8750   2.2390 -3.595000 4.479000 
1 1 1  101    3    0 o   14.820   2.3670 -0.000000 0.000000 
1 1 1  101    3    1 o   8.0830   2.1360 0.3324000 4.272000 
1 1 1  101    3    2 o   7.2360   2.0110 2.851000 4.023000 
1 1 1  101    3    3 f   7.5960   2.0700 -2.131000 4.140000 
1 1 1  101    3    4 o   8.6670   2.1250 1.531000 4.249000 
1 1 1  101    3    5 o   12.760   1.9330 -9.588000 3.866000 
1 1 1  101    3    6 o   7.8420   2.1350 1.319000 4.270000 
1 1 1  101    3    7 o   6.6230   1.9690 2.400000 3.938000 
1 1 1  101    3    8 o   7.8130   2.0060 4.134000 4.011000 
1 1 1  101    3    9 o   8.4980   2.1000 2.837000 4.200000 
1 1 1  101    3   10 o   7.6060   2.0910 -0.1603000 4.182000 
1 1 1  101    4    0 o   14.150   2.3750 -0.000000 0.000000 
1 1 1  101    4    1 o   6.3740   1.8750 2.773000 3.751000 
1 1 1  101    4    2 o   6.6890   1.9810 -0.4346000 3.961000 
1 1 1  101    4    3 o   12.100   1.8840 2.152000 3.768000 
1 1 1  101    4    4 o   10.100   2.0700 1.245000 4.139000 
1 1 1  101    4    5 f   9.5840   2.0890 -3.164000 4.178000 
1 1 1  101    4    6 o   13.590   1.7590 0.8069000 3.518000 
1 1 1  101    4    7 o   8.4450   2.1430 0.3347000 4.285000 
1 1 1  101    4    8 o   6.7670   1.9740 -2.813000 3.949000 
1 1 1  101    4    9 o   9.8650   2.0710 2.072000 4.142000 
1 1 1  101    4   10 o   6.4060   1.9730 1.339000 3.947000 
1 1 1  101    5    0 o   8.2510   3.0490 -0.000000 0.000000 
1 1 1  101    5    1 o   9.1660   2.0790 -3.001000 4.157000 
1 1 1  101    5    2 o   7.0690   2.0430 0.9238000E-01 4.085000 
1 1 1  101    5    3 o   8.5730   1.8580 -6.710000 3.716000 
1 1 1  101    5    4 o   6.7100   1.9710 1.562000 3.943000 
1 1 1  101    5    5 o   10.290   2.0320 4.294000 4.065000 
1 1 1  101    5    6 o   5.5150   1.7980 -0.4457000 3.596000 
1 1 1  101    5    7 o   7.0760   2.0350 -0.1520000E-01 4.070000 
1 1 1  101    5    8 o   7.8490   1.8770 -5.514000 3.754000 
1 1 1  101    5    9 o   8.1940   2.0670 -3.903000 4.135000 
1 1 1  101    6    0 o   5.4080   2.5830 -0.000000 0.000000 
1 1 1  101    6    1 o   7.0210   2.1580 1.110000 4.316000 
1 1 1  101    6    2 o   9.4690   2.3550 1.511000 4.711000 
1 1 1  101    6    3 o   7.9630   2.2420 1.307000 4.484000 
1 1 1  101    6    4 o   14.910   1.8450 -0.3666000 3.690000 
1 1 1  101    6    5 o   10.510   2.2880 3.373000 4.576000 
1 1 1  101    6    6 o   9.1290   2.3360 2.023000 4.671000 
1 1 1  101    6    7 o   11.800   2.2830 1.638000 4.566000 
1 1 1  101    7    0 o   7.2950   3.1250 -0.000000 0.000000 
1 1 1  101    7    1 o   8.2370   2.3180 1.617000 4.636000 
1 1 1  101    7    2 o   9.1030   2.3670 0.6392000 4.735000 
1 1 1  101    7    3 o   5.8170   1.9240 -0.3224000E-01 3.848000 
1 1 1  101    7    4 o   9.5230   2.3380 2.547000 4.677000 
1 1 1  101    7    5 o   9.1270   2.2850 -2.674000 4.570000 
1 1 1  101    7    6 o   13.220   2.8760 -1.992000 5.753000 
1 1 1  101    8    0 o   8.7080   3.3300 -0.000000 0.000000 
1 1 1  101    8    1 o   10.090   2.2790 -5.202000 4.557000 
1 1 1  101    8    2 o   11.710   2.8700 2.162000 5.740000 
1 1 1  102    0    0 o   10.760   4.0810 -0.000000 0.000000 
1 1 1  102    0    1 o   9.7050   3.4480 -0.000000 0.000000 
1 1 1  102    0    2 o   8.4510   3.3580 -0.000000 0.000000 
1 1 1  102    0    3 o   6.5900   2.9540 -0.000000 0.000000 
1 1 1  102    0    4 o   9.2250   3.4520 -0.000000 0.000000 
1 1 1  102    0    5 o   8.1560   3.3080 -0.000000 0.000000 
1 1 1  102    0    6 o   14.330   3.1880 -0.000000 0.000000 
1 1 1  102    0    7 o   11.710   3.5670 -0.000000 0.000000 
1 1 1  102    0    8 o   9.3070   3.5460 -0.000000 0.000000 
1 1 1  102    0    9 o   10.640   3.6410 -0.000000 0.000000 
1 1 1  102    0   10 o   18.780   2.5550 -0.000000 0.000000 
1 1 1  102    1    0 o   7.5060   3.2720 -0.000000 0.000000 
1 1 1  102    1    1 o   11.940   2.2000 7.575000 4.400000 
1 1 1  102    1    2 o   11.770   2.4430 1.899000 4.886000 
1 1 1  102    1    3 o   5.7700   1.9210 1.319000 3.841000 
1 1 1  102    1    4 o   18.720   1.6530 -0.7752000 3.305000 
1 1 1  102    1    5 o   7.1430   2.1850 2.253000 4.371000 
1 1 1  102    1    6 f   9.7630   2.4570 2.330000 4.915000 
1 1 1  102    1    7 o   20.200   1.6540 2.033000 3.308000 
1 1 1  102    1    8 o   8.9420   2.4550 1.235000 4.910000 
1 1 1  102    1    9 o   7.9840   2.3010 3.059000 4.603000 
1 1 1  102    1   10 o   6.9800   2.1650 -2.447000 4.329000 
1 1 1  102    2    0 o   10.130   3.4730 -0.000000 0.000000 
1 1 1  102    2    1 o   7.7670   2.2900 -2.212000 4.580000 
1 1 1  102    2    2 o   7.7840   2.3050 1.690000 4.609000 
1 1 1  102    2    3 o   10.150   2.3080 5.673000 4.615000 
1 1 1  102    2    4 o   8.6970   2.2980 3.772000 4.597000 
1 1 1  102    2    5 o   9.1870   2.4480 1.529000 4.896000 
1 1 1  102    2    6 o   7.8930   2.3100 -1.542000 4.621000 
1 1 1  102    2    7 o   17.110   1.9170 -1.017000 3.834000 
1 1 1  102    2    8 o   9.3480   2.4390 0.6644000 4.878000 
1 1 1  102    2    9 o   5.8610   2.7650      ?      ? 
1 1 1  102    2   10 o   10.140   2.4620 -2.114000 4.923000 
1 1 1  102    3    0 o   7.1820   2.9100 -0.000000 0.000000 
1 1 1  102    3    1 o   10.830   2.0760 -0.8247000 4.151000 
1 1 1  102    3    2 o   6.7610   1.9460 -2.691000 3.892000 
1 1 1  102    3    3 o   11.140   1.9230 -5.884000 3.847000 
1 1 1  102    3    4 o   9.5670   2.1090 -0.8934000 4.219000 
1 1 1  102    3    5 o   7.3570   2.0940 0.3967000 4.189000 
1 1 1  102    3    6 o   20.620   1.2150 -4.227000 2.430000 
1 1 1  102    3    7 o   7.7760   2.1290 1.240000 4.258000 
1 1 1  102    3    8 o   8.8360   2.1510 -0.8196000 4.303000 
1 1 1  102    3    9 o   10.580   2.0440 0.4271000 4.087000 
1 1 1  102    4    0 o   9.0190   2.9950 -0.000000 0.000000 
1 1 1  102    4    1 o   8.1080   1.9790 -4.565000 3.958000 
1 1 1  102    4    2 o   11.690   1.9260 0.3825000 3.851000 
1 1 1  102    4    3 o   8.1970   2.0770 -0.9695000 4.153000 
1 1 1  102    4    4 o   8.0500   1.9600 4.311000 3.919000 
1 1 1  102    4    5 o   6.8980   2.0220 -0.9287000 4.045000 
1 1 1  102    4    6 o   12.080   1.9460 2.149000 3.893000 
1 1 1  102    4    7 o   13.560   1.7780 1.312000 3.556000 
1 1 1  102    4    8 o   7.0360   2.0380 -0.8253000 4.076000 
1 1 1  102    4    9 o   6.8440   2.2190 1.064000 4.438000 
1 1 1  102    5    0 o   11.820   2.8040 -0.000000 0.000000 
1 1 1  102    5    1 o   13.180   1.7950 3.249000 3.591000 
1 1 1  102    5    2 f   9.8640   2.0700 -2.637000 4.140000 
1 1 1  102    5    3 o   10.310   1.9670 -5.016000 3.935000 
1 1 1  102    5    4 o   5.7330   1.8250 -0.6809000E-01 3.649000 
1 1 1  102    5    5 o   12.960   1.8130 -7.224000 3.626000 
1 1 1  102    5    6 o   7.4100   2.0280 -2.474000 4.056000 
1 1 1  102    5    7 o   4.9460   1.6660 -0.8039000 3.331000 
1 1 1  102    6    0 o   8.5070   3.2570 -0.000000 0.000000 
1 1 1  102    6    1 o   5.3580   1.8080 0.7640000 3.616000 
1 1 1  102    6    2 o   13.380   2.0780 -3.552000 4.156000 
1 1 1  102    6    3 o   7.6690   2.2010 0.8813000 4.402000 
1 1 1  102    6    4 o   8.0710   2.1950 -2.190000 4.390000 
1 1 1  102    6    5 f   10.410   3.2490      ?      ? 
1 1 1  102    6    6 o   8.3910   2.1130 -5.677000 4.225000 
1 1 1  102    7    0 o   9.6860   3.3500 -0.000000 0.000000 
1 1 1  102    7    1 o   10.020   2.3350 2.757000 4.671000 
1 1 1  102    7    2 o   12.520   3.2770      ?      ? 
1 1 1  102    7    3 o   11.450   2.3670 0.1050000 4.733000 
1 1 1  103    0    1 o   15.090   2.8860 -0.000000 0.000000 
1 1 1  103    0    2 o   12.300   3.3330 -0.000000 0.000000 
1 1 1  103    0    3 o   7.8100   3.2470 -0.000000 0.000000 
1 1 1  103    0    4 o   8.3640   3.3530 -0.000000 0.000000 
1 1 1  103    0    5 o   12.430   3.4030 -0.000000 0.000000 
1 1 1  103    0    6 o   7.4430   3.2260 -0.000000 0.000000 
1 1 1  103    0    7 o   9.0910   3.5390 -0.000000 0.000000 
1 1 1  103    0    8 o   17.880   2.5970 -0.000000 0.000000 
1 1 1  103    0    9 o   9.4890   3.5230 -0.000000 0.000000 
1 1 1  103    1    0 o   12.190   3.3350 -0.000000 0.000000 
1 1 1  103    1    1 o   14.850   2.0950 -2.766000 4.190000 
1 1 1  103    1    2 o   10.060   2.3940 -2.363000 4.788000 
1 1 1  103    1    3 o   8.6790   2.3110 2.904000 4.622000 
1 1 1  103    1    4 o   10.380   2.3370 4.356000 4.673000 
1 1 1  103    1    5 o   7.2260   2.2450 -0.3181000 4.491000 
1 1 1  103    1    6 f   9.9470   2.4860 -0.3243000 4.972000 
1 1 1  103    1    7 o   19.680   1.8190 7.455000 3.639000 
1 1 1  103    1    8 o  10.0000   2.5000 1.677000 5.001000 
1 1 1  103    1    9 o   7.4070   2.2920 0.4756000 4.583000 
1 1 1  103    2    0 o   13.230   3.2430 -0.000000 0.000000 
1 1 1  103    2    1 o   8.8300   2.3850 2.389000 4.770000 
1 1 1  103    2    2 o   7.6680   2.2750 -1.897000 4.550000 
1 1 1  103    2    3 o   8.2920   2.2720 -2.295000 4.543000 
1 1 1  103    2    4 o   7.3630   2.2060 2.313000 4.411000 
1 1 1  103    2    5 o   6.9710   2.1890 -0.2586000E-01 4.377000 
1 1 1  103    2    6 o   15.530   2.0420 9.717000 4.083000 
1 1 1  103    2    7 o   6.3380   2.0810 1.033000 4.162000 
1 1 1  103    2    8 o   10.110   2.3820 4.417000 4.764000 
1 1 1  103    2    9 o   8.9090   3.8600      ?      ? 
1 1 1  103    3    0 o   6.3400   2.7310 -0.000000 0.000000 
1 1 1  103    3    1 o   9.5210   2.0880 1.849000 4.176000 
1 1 1  103    3    2 o   6.0820   1.8730 1.677000 3.745000 
1 1 1  103    3    3 o   6.9020   1.9300 3.285000 3.860000 
1 1 1  103    3    4 o   8.8050   2.1010 2.051000 4.203000 
1 1 1  103    3    5 o   8.0140   2.0570 3.409000 4.114000 
1 1 1  103    3    6 o   8.0440   2.1290 0.1240000E-01 4.259000 
1 1 1  103    3    7 o   12.130   1.9730 1.295000 3.946000 
1 1 1  103    3    8 o   8.0840   2.0650 3.535000 4.129000 
1 1 1  103    4    0 o   6.7020   2.8050 -0.000000 0.000000 
1 1 1  103    4    1 o   7.8950   1.9930 -4.100000 3.986000 
1 1 1  103    4    2 f   6.0920   1.8760 -1.181000 3.752000 
1 1 1  103    4    3 o   8.1250   2.0210 -3.097000 4.042000 
1 1 1  103    4    4 o   9.6740   2.0500 -3.115000 4.099000 
1 1 1  103    4    5 o   13.220   1.7760 2.574000 3.551000 
1 1 1  103    4    6 o   8.1420   2.1260 0.6210000 4.251000 
1 1 1  103    4    7 o   6.4950   1.9610 -1.557000 3.922000 
1 1 1  103    5    0 o   6.3700   2.7410 -0.000000 0.000000 
1 1 1  103    5    1 o   7.9790   2.0040 -3.608000 4.008000 
1 1 1  103    5    2 o   6.5200   1.8940 2.522000 3.789000 
1 1 1  103    5    3 o   10.300   2.0600 -0.6116000 4.121000 
1 1 1  103    5    4 o   10.550   1.9650 3.766000 3.930000 
1 1 1  103    5    5 o   8.5830   2.1270 0.3577000 4.254000 
1 1 1  103    5    6 o   9.5110   2.2410 0.5031000 4.482000 
1 1 1  103    6    0 o   7.2420   3.0530 -0.000000 0.000000 
1 1 1  103    6    1 o   6.6420   1.9920 -3.583000 3.985000 
1 1 1  103    6    2 o   11.360   2.2380 2.132000 4.476000 
1 1 1  103    6    3 o   8.5770   2.2790 1.477000 4.559000 
1 1 1  103    6    4 o   10.740   2.6220 -3.262000 5.244000 
1 1 1  104    0    0 o   13.250   4.0570 -0.000000 0.000000 
1 1 1  104    0    1 o   9.6310   3.4460 -0.000000 0.000000 
1 1 1  104    0    2 o   12.480   3.3760 -0.000000 0.000000 
1 1 1  104    0    3 o   8.9770   3.3390 -0.000000 0.000000 
1 1 1  104    0    4 o   8.4440   3.3590 -0.000000 0.000000 
1 1 1  104    0    5 o   10.780   3.5290 -0.000000 0.000000 
1 1 1  104    0    6 o   16.930   2.9160 -0.000000 0.000000 
1 1 1  104    0    7 o   8.5300   3.4580 -0.000000 0.000000 
1 1 1  104    0    8 f   7.1950   3.2410 -0.000000 0.000000 
1 1 1  104    1    0 o   15.370   2.8940 -0.000000 0.000000 
1 1 1  104    1    1 o   9.1320   2.2140 6.309000 4.428000 
1 1 1  104    1    2 o   11.950   2.3230 4.487000 4.646000 
1 1 1  104    1    3 o   11.670   2.3400 2.732000 4.680000 
1 1 1  104    1    4 o   8.8470   2.4240 -0.3668000 4.848000 
1 1 1  104    1    5 o   18.710   1.7500 0.5946000 3.500000 
1 1 1  104    1    6 o   6.6710   2.1570 -0.3119000 4.315000 
1 1 1  104    1    7 f   13.360   2.3780 1.360000 4.756000 
1 1 1  104    1    8 o   11.640   4.3370      ?      ? 
1 1 1  104    2    0 o   8.3600   3.4020 -0.000000 0.000000 
1 1 1  104    2    1 o   9.6460   2.4020 1.287000 4.804000 
1 1 1  104    2    2 o   12.510   2.2170 5.362000 4.435000 
1 1 1  104    2    3 o   10.930   2.2650 -4.000000 4.531000 
1 1 1  104    2    4 o   11.890   2.2380 6.503000 4.476000 
1 1 1  104    2    5 o   9.6670   2.3970 3.301000 4.795000 
1 1 1  104    2    6 o   9.2120   2.4180 1.965000 4.836000 
1 1 1  104    2    7 o   19.160   1.6760 -3.048000 3.352000 
1 1 1  104    3    0 o   13.490   2.5130 -0.000000 0.000000 
1 1 1  104    3    1 o   11.240   1.9170 -4.681000 3.833000 
1 1 1  104    3    2 o   9.0320   2.0690 -2.838000 4.138000 
1 1 1  104    3    3 o   6.6210   1.9720 0.1539000 3.944000 
1 1 1  104    3    4 o   8.4740   2.0910 -0.7811000 4.182000 
1 1 1  104    3    5 o   6.9120   1.9990 1.771000 3.997000 
1 1 1  104    3    6 o   16.850   1.3920 2.944000 2.785000 
1 1 1  104    3    7 o   5.2970   2.6370      ?      ? 
1 1 1  104    4    0 o   5.1290   2.4000 -0.000000 0.000000 
1 1 1  104    4    1 o   11.480   1.9320 -0.1921000 3.865000 
1 1 1  104    4    2 o   10.100   1.8120 6.784000 3.624000 
1 1 1  104    4    3 o   7.5870   1.9940 -2.610000 3.987000 
1 1 1  104    4    4 o   8.0330   2.0490 -2.458000 4.097000 
1 1 1  104    4    5 o   10.640   2.0280 -2.346000 4.057000 
1 1 1  104    5    0 o   5.5420   2.5230 -0.000000 0.000000 
1 1 1  104    5    1 o   6.0120   1.8670 0.4166000 3.735000 
1 1 1  104    5    2 o   7.1460   1.9950 -1.797000 3.990000 
1 1 1  104    5    3 o   6.5660   1.8360 4.128000 3.672000 
1 1 1  104    5    4 o   9.7750   3.8290      ?      ? 
1 1 1  105    0    1 o   11.570   3.4760 -0.000000 0.000000 
1 1 1  105    0    2 o   9.1400   3.4350 -0.000000 0.000000 
1 1 1  105    0    3 o   11.150   3.4050 -0.000000 0.000000 
1 1 1  105    0    4 o   13.600   3.3090 -0.000000 0.000000 
1 1 1  105    0    5 o   11.340   3.6560 -0.000000 0.000000 
1 1 1  105    0    6 o   9.3160   3.5270 -0.000000 0.000000 
1 1 1  105    1    0 o   6.6090   3.0020 -0.000000 0.000000 
1 1 1  105    1    1 o   8.3230   2.3500 -2.420000 4.700000 
1 1 1  105    1    2 o   6.6890   2.1260 0.4796000 4.252000 
1 1 1  105    1    3 o   7.6250   2.2160 -2.552000 4.433000 
1 1 1  105    1    4 o   7.3170   2.2340 0.1561000E-01 4.468000 
1 1 1  105    1    5 o   12.330   2.4010 1.501000 4.801000 
1 1 1  105    1    6 o   7.0020   2.2100 1.015000 4.419000 
1 1 1  105    2    0 o   5.4400   2.6060 -0.000000 0.000000 
1 1 1  105    2    1 o   6.4780   2.0630 -1.492000 4.125000 
1 1 1  105    2    2 o   8.8880   2.3560 1.333000 4.712000 
1 1 1  105    2    3 o   8.9920   2.2960 3.451000 4.592000 
1 1 1  105    2    4 o   10.830   2.0710 -8.824000 4.142000 
1 1 1  105    2    5 o   7.4090   2.2400 0.8060000 4.480000 
1 1 1  105    3    0 o   8.4280   2.9490 -0.000000 0.000000 
1 1 1  105    3    1 o   7.4800   2.0150 1.622000 4.031000 
1 1 1  105    3    2 o   8.0060   2.0860 0.4635000 4.171000 
1 1 1  105    3    3 o   9.0370   1.9160 4.660000 3.832000 
1 1 1  105    3    4 o   6.0250   1.8420 2.323000 3.684000 
1 1 1  105    3    5 o   11.960   2.3350 10.24000 4.670000 
1 1 1  105    4    0 o   7.8410   2.9090 -0.000000 0.000000 
1 1 1  105    4    1 o   7.9750   2.0110 -2.869000 4.022000 
1 1 1  105    4    2 o   8.4720   2.0820 0.9187000 4.165000 
1 1 1  105    4    3 o   8.4140   2.2890 2.273000 4.578000 
1 1 1  106    0    0 o   10.050   3.9870 -0.000000 0.000000 
1 1 1  106    0    1 o   8.4510   3.3640 -0.000000 0.000000 
1 1 1  106    0    2 o   8.9470   3.4420 -0.000000 0.000000 
1 1 1  106    0    3 o   6.4700   2.9200 -0.000000 0.000000 
1 1 1  106    0    4 o   13.620   3.3420 -0.000000 0.000000 
1 1 1  106    1    0 o   14.470   3.0120 -0.000000 0.000000 
1 1 1  106    1    1 o   7.8040   2.2980 -0.1194000 4.596000 
1 1 1  106    1    2 o   6.8590   2.1550 0.4129000 4.310000 
1 1 1  106    1    3 o   11.720   2.2700 5.525000 4.541000 
1 1 1  106    2    0 o   8.4450   3.2870 -0.000000 0.000000 
1 1 1  106    2    1 o   10.090   2.3980 1.347000 4.796000 
1 1 1  106    2    2 o   9.0630   2.1660 5.729000 4.332000 
1 1 1  106    2    3 o   12.060   2.6340 -6.293000 5.268000 
1 1 1  106    3    0 o   12.060   3.8370 -0.000000 0.000000 
1 1 1  106    3    1 o   8.7230   2.5380 -3.791000 5.076000 
#END OF REFLECTIONS
