data_r4neysf
# 
_audit.revision_id    1_0
_audit.creation_date  2014-01-15
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4ney 
_cell.length_a      43.2820 
_cell.length_b      79.2890 
_cell.length_c      97.7590 
_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   0.9792 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.323 
_diffrn_reflns.pdbx_d_res_low    61.581 
_diffrn_reflns.limit_h_max       18 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       34 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       42 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            15103 
_diffrn_reflns.pdbx_number_obs   15038 
# 
_entry.id   4ney 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4ney 
_symmetry.space_group_name_H-M   'P 21 21 21' 
_symmetry.Int_Tables_number      19 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'           
2 'X+1/2,  -Y+1/2,  -Z' 
3 '-X,  Y+1/2,  -Z+1/2' 
4 '-X+1/2,  -Y,  Z+1/2' 
# 
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.F_meas_au
_refln.F_meas_sigma_au
_refln.F_calc
_refln.phase_calc
_refln.pdbx_HL_A_iso
_refln.pdbx_HL_B_iso
_refln.pdbx_HL_C_iso
_refln.pdbx_HL_D_iso
1 1 1    0    0    4 o   37.284   0.3297   70.489   0.2000  -0.15   0.00   0.00   0.00 
1 1 1    0    0    6 o   81.874   0.9555   58.455  -0.1000   0.93   0.00   0.00   0.00 
1 1 1    0    0   14 f   23.709   0.4186   36.869  179.600   0.29   0.00   0.00   0.00 
1 1 1    0    0   16 o   85.564   0.7427  109.900 -179.9000  -2.02   0.00   0.00   0.00 
1 1 1    0    0   18 o   30.992   0.5172   61.070  -0.1000  -0.17   0.00   0.00   0.00 
1 1 1    0    0   20 o   9.0885   0.4353   2.5299  -5.3000  -0.05   0.00   0.00   0.00 
1 1 1    0    0   22 o   5.8652   0.7568   14.126  179.800   0.02   0.00   0.00   0.00 
1 1 1    0    0   24 o   33.377   0.4216   29.665  -0.5000  -0.00   0.00   0.00   0.00 
1 1 1    0    0   26 o  120.327   0.9961  123.214  179.900  -0.25   0.00   0.00   0.00 
1 1 1    0    0   28 o   18.108   0.4918   25.260  -0.7000   0.09   0.00   0.00   0.00 
1 1 1    0    0   30 o   40.014   0.4839   22.911   0.9000  -0.05   0.00   0.00   0.00 
1 1 1    0    0   32 o   21.026   0.3967   30.489  -0.3000  -0.07   0.00   0.00   0.00 
1 1 1    0    0   34 o   15.675   0.5155   21.675   0.1000   0.13   0.00   0.00   0.00 
1 1 1    0    0   36 o   9.0388   0.7626   7.0545   0.2000   0.19   0.00   0.00   0.00 
1 1 1    0    0   38 f   56.265   0.6066   53.984  180.000   0.39   0.00   0.00   0.00 
1 1 1    0    0   40 o   1.8166   1.7930   2.5416  177.900  -0.02   0.00   0.00   0.00 
1 1 1    0    0   42 f   18.199   0.4972   13.126  179.900  -0.18   0.00   0.00   0.00 
1 1 1    0    1    3 o   4.4045   0.1322   22.303 -90.3000   0.00   0.04   0.00   0.00 
1 1 1    0    1    4 o   7.8422   0.1131   43.670 -90.2000   0.00   0.12   0.00   0.00 
1 1 1    0    1    5 o   23.418   0.1696   22.051 -89.9000  -0.00  -0.26   0.00   0.00 
1 1 1    0    1    6 o   31.898   0.2149   26.359   89.900  -0.00  -0.08   0.00   0.00 
1 1 1    0    1    7 o   44.361   0.2833   32.853 -91.0000   0.00   0.20   0.00   0.00 
1 1 1    0    1    9 o   11.212   0.2358   17.684 -88.3000   0.00   0.03   0.00   0.00 
1 1 1    0    1   10 o   28.643   0.2114   47.164 -89.8000  -0.00  -0.15   0.00   0.00 
1 1 1    0    1   11 o   20.981   0.1843   25.363 -91.3000   0.00   0.02   0.00   0.00 
1 1 1    0    1   12 o  101.970   0.6471   81.488 -90.1000   0.00   0.21   0.00   0.00 
1 1 1    0    1   13 o   42.065   0.2927   46.893 -89.3000   0.00   0.01   0.00   0.00 
1 1 1    0    1   14 o   65.672   0.4221   64.777 -90.0000  -0.00  -0.36   0.00   0.00 
1 1 1    0    1   15 o   18.254   0.2139   3.7383   89.400  -0.00  -0.02   0.00   0.00 
1 1 1    0    1   16 o   28.513   0.2434   31.233 -89.8000  -0.00  -0.27   0.00   0.00 
1 1 1    0    1   17 o   20.087   0.2337   18.299   89.400   0.00   0.21   0.00   0.00 
1 1 1    0    1   18 o   69.479   0.4441   66.028   90.200  -0.00  -0.24   0.00   0.00 
1 1 1    0    1   19 o   39.199   0.3075   46.121 -89.8000  -0.00  -0.17   0.00   0.00 
1 1 1    0    1   20 o   15.691   0.2323   13.467   90.300   0.00   0.05   0.00   0.00 
1 1 1    0    1   21 o   20.472   0.2294   44.373   90.200   0.00   0.04   0.00   0.00 
1 1 1    0    1   22 o   47.702   0.4589   29.955   90.600   0.00   0.47   0.00   0.00 
1 1 1    0    1   23 o   6.8264   0.5224   8.3700   89.500   0.00   0.01   0.00   0.00 
1 1 1    0    1   24 o  147.062   0.8552  134.940 -89.8000  -0.00  -2.09   0.00   0.00 
1 1 1    0    1   25 o   61.492   0.4368   50.892 -90.3000  -0.00  -0.18   0.00   0.00 
1 1 1    0    1   26 o   91.370   0.5618  100.015   90.100   0.00   0.78   0.00   0.00 
1 1 1    0    1   27 o   12.942   0.5410   10.491 -90.2000  -0.00  -0.08   0.00   0.00 
1 1 1    0    1   28 o   0.0000   3.2711   15.170   89.200   0.00   0.02   0.00   0.00 
1 1 1    0    1   29 o   6.2450   0.7013   9.4457 -90.2000  -0.00  -0.01   0.00   0.00 
1 1 1    0    1   30 f   9.0000   0.5142   13.825   89.300  -0.00  -0.16   0.00   0.00 
1 1 1    0    1   31 o   12.021   0.3828   6.6972 -88.9000   0.00   0.03   0.00   0.00 
1 1 1    0    1   32 o   41.637   0.3572   54.205 -89.8000   0.00   0.26   0.00   0.00 
1 1 1    0    1   33 f   15.040   0.3539   3.2505   90.900  -0.00  -0.25   0.00   0.00 
1 1 1    0    1   34 f   4.8785   0.8301   2.7276 -89.0000   0.00   0.08   0.00   0.00 
1 1 1    0    1   35 f   37.643   0.3448   36.286   90.000   0.00   0.46   0.00   0.00 
1 1 1    0    1   36 o   0.0000   3.1781   6.2485   90.400   0.00   0.02   0.00   0.00 
1 1 1    0    1   37 o   23.264   0.3368   12.034 -90.1000   0.00   0.01   0.00   0.00 
1 1 1    0    1   38 o   6.9857   0.7170   10.470 -90.3000  -0.00  -0.43   0.00   0.00 
1 1 1    0    1   39 o   0.0000   3.2094   0.2450   91.400  -0.00  -0.03   0.00   0.00 
1 1 1    0    1   40 f   15.742   0.4236   0.8889   90.000   0.00   0.39   0.00   0.00 
1 1 1    0    1   41 o   2.8983   1.2486   1.3005   87.200  -0.00  -0.04   0.00   0.00 
1 1 1    0    1   42 f   11.700   0.6124   7.2750 -90.7000   0.00   0.02   0.00   0.00 
1 1 1    0    2    0 o   15.592   0.3327   6.1768   0.6000   0.34   0.00   0.00   0.00 
1 1 1    0    2    1 o   32.921   0.2367   26.790   0.7000   0.01   0.00   0.00   0.00 
1 1 1    0    2    4 o   25.507   0.2581   13.830  179.100  -0.10   0.00   0.00   0.00 
1 1 1    0    2    5 o   28.609   0.2048   0.8121   53.100  -0.15   0.00   0.00   0.00 
1 1 1    0    2    6 o   77.744   0.9115  104.218  179.900   2.07   0.00   0.00   0.00 
1 1 1    0    2    7 o   20.394   0.2303   0.8565 -145.1000  -0.03   0.00   0.00   0.00 
1 1 1    0    2    8 o   99.182   1.1486   98.496   0.1000   0.31   0.00   0.00   0.00 
1 1 1    0    2    9 o   59.335   0.5262   80.116   0.1000   0.00   0.00   0.00   0.00 
1 1 1    0    2   10 o   32.175   0.2406   13.145   0.8000  -0.20   0.00   0.00   0.00 
1 1 1    0    2   11 o   28.721   0.2297   27.599  179.100   0.05   0.00   0.00   0.00 
1 1 1    0    2   12 o   69.577   0.4356   47.729   0.4000  -0.35   0.00   0.00   0.00 
1 1 1    0    2   13 o   33.920   0.2473   28.099  180.000  -0.01   0.00   0.00   0.00 
1 1 1    0    2   14 o   6.4730   0.3373   3.8592  -5.2000   0.09   0.00   0.00   0.00 
1 1 1    0    2   15 o   21.368   0.2475   5.5745   1.7000   0.06   0.00   0.00   0.00 
1 1 1    0    2   16 o   13.820   0.2172   2.0471   20.400  -0.10   0.00   0.00   0.00 
1 1 1    0    2   17 o   14.980   0.2268   32.525  -0.4000   0.25   0.00   0.00   0.00 
1 1 1    0    2   18 o   7.5631   0.3593   27.419 -179.4000   0.13   0.00   0.00   0.00 
1 1 1    0    2   19 o   22.806   0.2344   17.244  179.300  -0.09   0.00   0.00   0.00 
1 1 1    0    2   20 f   19.890   0.2360   32.122   0.9000  -0.05   0.00   0.00   0.00 
1 1 1    0    2   21 o   60.833   0.3969   62.813 -179.9000   0.05   0.00   0.00   0.00 
1 1 1    0    2   22 o   7.3144   0.4560   11.844  -0.2000   0.04   0.00   0.00   0.00 
1 1 1    0    2   23 o   77.385   0.4880   70.677 -179.9000   0.01   0.00   0.00   0.00 
1 1 1    0    2   24 o   7.9498   0.4963   6.1322  175.400  -0.04   0.00   0.00   0.00 
1 1 1    0    2   25 o   56.966   0.4018   41.816 -180.0000   0.17   0.00   0.00   0.00 
1 1 1    0    2   26 o   56.541   0.3943   64.281  179.900  -0.42   0.00   0.00   0.00 
1 1 1    0    2   27 o   41.079   0.3560   57.765   0.2000   0.05   0.00   0.00   0.00 
1 1 1    0    2   28 o   8.0870   0.5919   5.8446  -1.2000   0.06   0.00   0.00   0.00 
1 1 1    0    2   29 f   32.405   0.3299   33.483 -179.8000  -0.24   0.00   0.00   0.00 
1 1 1    0    2   30 o   26.539   0.2889   17.446   0.1000   0.13   0.00   0.00   0.00 
1 1 1    0    2   31 o   23.193   0.3085   18.436  -0.5000   0.17   0.00   0.00   0.00 
1 1 1    0    2   32 f   24.515   0.2942   23.326  -0.3000  -0.21   0.00   0.00   0.00 
1 1 1    0    2   33 o   35.668   0.3581   35.843 -180.0000  -0.37   0.00   0.00   0.00 
1 1 1    0    2   34 o   16.529   0.3524   7.8983  -0.9000  -0.17   0.00   0.00   0.00 
1 1 1    0    2   35 o   6.8557   0.7042   1.9139 -176.3000  -0.15   0.00   0.00   0.00 
1 1 1    0    2   36 o   0.0000   3.3015   0.7364  -8.8000  -0.01   0.00   0.00   0.00 
1 1 1    0    2   37 o   24.878   0.3253   21.280  179.800   0.34   0.00   0.00   0.00 
1 1 1    0    2   38 o   11.916   0.4485   12.601 -179.6000  -0.29   0.00   0.00   0.00 
1 1 1    0    2   39 o   22.374   0.3498   18.164 -179.9000   0.02   0.00   0.00   0.00 
1 1 1    0    2   40 o   5.3385   0.9222   6.0033  -0.0000   0.01   0.00   0.00   0.00 
1 1 1    0    2   41 f   9.5289   0.6149   2.9118   0.3000  -0.14   0.00   0.00   0.00 
1 1 1    0    2   42 o   2.2804   1.5373   2.1909  -1.9000   0.06   0.00   0.00   0.00 
1 1 1    0    3    1 o   31.632   0.2088   19.443   90.100   0.00   0.15   0.00   0.00 
1 1 1    0    3    2 o   30.010   0.2200   29.513   89.800   0.00   0.11   0.00   0.00 
1 1 1    0    3    3 o   30.179   0.2383   57.888   89.800   0.00   0.63   0.00   0.00 
1 1 1    0    3    4 o   18.466   0.1477   3.0857   92.600   0.00   0.61   0.00   0.00 
1 1 1    0    3    5 o   53.114   0.3302   47.820   89.600  -0.00  -0.89   0.00   0.00 
1 1 1    0    3    6 o   82.392   0.7987   60.535 -89.7000   0.00   0.24   0.00   0.00 
1 1 1    0    3    7 o   81.858   0.6147   63.612 -90.3000   0.00   0.61   0.00   0.00 
1 1 1    0    3    8 o   51.085   0.4473   39.143 -90.6000   0.00   0.26   0.00   0.00 
1 1 1    0    3    9 f   36.238   0.2508   25.547   89.700   0.00   0.08   0.00   0.00 
1 1 1    0    3   11 o   62.707   0.3946   64.763 -90.5000  -0.00  -0.32   0.00   0.00 
1 1 1    0    3   12 o   38.785   0.2955   26.177   91.000   0.00   0.07   0.00   0.00 
1 1 1    0    3   13 o   57.402   0.3747   54.676 -89.8000   0.00   0.10   0.00   0.00 
1 1 1    0    3   14 o   49.405   0.3297   36.345   89.300   0.00   0.70   0.00   0.00 
1 1 1    0    3   15 o   52.406   0.3412   35.569 -90.1000  -0.00  -0.19   0.00   0.00 
1 1 1    0    3   16 o   35.241   0.2773   7.7871   91.600   0.00   0.61   0.00   0.00 
1 1 1    0    3   17 o   26.408   0.2346   4.3086   88.600   0.00   0.15   0.00   0.00 
1 1 1    0    3   18 o   9.5603   0.3089   23.926 -90.0000  -0.00  -0.07   0.00   0.00 
1 1 1    0    3   19 o  101.061   0.6147   89.855 -90.0000  -0.00  -1.30   0.00   0.00 
1 1 1    0    3   20 o   8.3066   0.3685   23.086 -89.8000  -0.00  -0.05   0.00   0.00 
1 1 1    0    3   21 o   36.046   0.2835   40.388 -89.8000   0.00   0.05   0.00   0.00 
1 1 1    0    3   22 o   12.787   0.3017   26.277   90.400   0.00   0.02   0.00   0.00 
1 1 1    0    3   23 o   48.596   0.3453   49.946   89.600   0.00   0.12   0.00   0.00 
1 1 1    0    3   24 o   55.400   0.3925   76.971 -89.9000  -0.00  -0.73   0.00   0.00 
1 1 1    0    3   25 o   99.088   0.6133   97.598 -89.9000  -0.00  -0.22   0.00   0.00 
1 1 1    0    3   26 o   28.054   0.3798   29.471   90.000   0.00   0.01   0.00   0.00 
1 1 1    0    3   27 o   7.4297   0.8088   18.890   89.200  -0.00  -0.02   0.00   0.00 
1 1 1    0    3   28 o   45.897   0.3589   48.103   89.800   0.00   0.24   0.00   0.00 
1 1 1    0    3   29 o   1.3038   1.3760   13.511 -89.5000   0.00   0.02   0.00   0.00 
1 1 1    0    3   30 f   6.9210   0.6450   14.812   89.600  -0.00  -0.13   0.00   0.00 
1 1 1    0    3   31 o   25.977   0.2931   20.233   88.800   0.00   0.28   0.00   0.00 
1 1 1    0    3   32 o   28.343   0.3140   23.194   89.800  -0.00  -0.33   0.00   0.00 
1 1 1    0    3   33 o   39.281   0.3395   24.990 -90.0000  -0.00  -1.56   0.00   0.00 
1 1 1    0    3   34 o   15.947   0.3587   14.348   90.100   0.00   0.14   0.00   0.00 
1 1 1    0    3   35 o   40.666   0.3329   38.910   90.100   0.00   1.24   0.00   0.00 
1 1 1    0    3   36 o   13.119   0.4065   10.182   90.100   0.00   0.10   0.00   0.00 
1 1 1    0    3   37 f   44.288   0.3695   39.406 -90.0000   0.00   0.88   0.00   0.00 
1 1 1    0    3   38 o   0.0000   3.3015   1.3150 -91.1000  -0.00  -0.02   0.00   0.00 
1 1 1    0    3   39 o   3.1781   1.2311   4.5106 -91.3000  -0.00  -0.04   0.00   0.00 
1 1 1    0    3   40 o   22.367   0.3542   17.400   90.200   0.00   1.16   0.00   0.00 
1 1 1    0    3   41 f   2.6646   1.3966   0.0370   45.100  -0.00  -0.05   0.00   0.00 
1 1 1    0    4    0 o   20.983   0.3146   11.132  -2.1000   0.08   0.00   0.00   0.00 
1 1 1    0    4    2 f   29.948   0.2844   13.463   1.8000  -0.49   0.00   0.00   0.00 
1 1 1    0    4    3 o   43.994   0.3886   39.782 -179.2000   0.56   0.00   0.00   0.00 
1 1 1    0    4    4 o   23.324   0.1724   26.335 -179.0000  -0.07   0.00   0.00   0.00 
1 1 1    0    4    5 o   26.046   0.2585   29.852 -179.8000  -0.49   0.00   0.00   0.00 
1 1 1    0    4    6 o   5.9582   0.1949   9.1771   0.7000  -0.07   0.00   0.00   0.00 
1 1 1    0    4    7 o   50.766   0.3152   70.802 -179.7000   0.25   0.00   0.00   0.00 
1 1 1    0    4    8 o   48.386   0.3060   56.176 -180.0000  -0.25   0.00   0.00   0.00 
1 1 1    0    4    9 f   8.0498   0.1999   19.486  -0.2000   0.09   0.00   0.00   0.00 
1 1 1    0    4   10 o   27.590   0.2994   22.367  178.700   0.02   0.00   0.00   0.00 
1 1 1    0    4   11 o   13.700   0.1943   6.7514  179.900  -0.00   0.00   0.00   0.00 
1 1 1    0    4   12 o  117.782   1.4140  102.587  179.900   1.37   0.00   0.00   0.00 
1 1 1    0    4   13 o   61.508   0.3974   56.076 -180.0000  -0.67   0.00   0.00   0.00 
1 1 1    0    4   14 o   16.867   0.2079   11.406  -1.3000  -0.02   0.00   0.00   0.00 
1 1 1    0    4   15 o   28.327   0.3211   32.836   0.9000   0.19   0.00   0.00   0.00 
1 1 1    0    4   16 f   16.165   0.2167   6.9867   1.4000   0.01   0.00   0.00   0.00 
1 1 1    0    4   17 o   20.179   0.2230   37.645  179.800   0.07   0.00   0.00   0.00 
1 1 1    0    4   18 o   30.093   0.2488   30.473 -179.6000   0.38   0.00   0.00   0.00 
1 1 1    0    4   19 o   30.848   0.2508   42.276  180.000  -0.22   0.00   0.00   0.00 
1 1 1    0    4   20 o   13.689   0.2651   20.773 -179.5000  -0.07   0.00   0.00   0.00 
1 1 1    0    4   21 o   20.640   0.2513   30.178   0.3000   0.05   0.00   0.00   0.00 
1 1 1    0    4   22 o   28.272   0.2437   5.7991  -4.8000   0.17   0.00   0.00   0.00 
1 1 1    0    4   23 o   5.8138   0.5835   12.606   1.4000  -0.02   0.00   0.00   0.00 
1 1 1    0    4   24 o   55.014   0.4006   64.325   0.0000   0.15   0.00   0.00   0.00 
1 1 1    0    4   25 f   14.536   0.4405   11.651  -0.5000  -0.03   0.00   0.00   0.00 
1 1 1    0    4   26 o   84.767   0.5468   88.288  -0.1000   0.11   0.00   0.00   0.00 
1 1 1    0    4   27 o   0.0000   3.5214   4.3446  -1.3000  -0.01   0.00   0.00   0.00 
1 1 1    0    4   28 o   35.251   0.3135   36.651   0.1000   0.02   0.00   0.00   0.00 
1 1 1    0    4   29 o   17.332   0.3200   21.550   0.0000  -0.10   0.00   0.00   0.00 
1 1 1    0    4   30 o   22.632   0.2858   22.668  -0.1000  -0.09   0.00   0.00   0.00 
1 1 1    0    4   31 o   10.995   0.4160   17.580  -0.7000   0.15   0.00   0.00   0.00 
1 1 1    0    4   32 o   28.434   0.3027   10.652  -0.1000  -0.35   0.00   0.00   0.00 
1 1 1    0    4   33 o   9.8285   0.4935   10.202  -0.5000   0.07   0.00   0.00   0.00 
1 1 1    0    4   34 o   7.4967   0.5803   11.450   0.7000  -0.02   0.00   0.00   0.00 
1 1 1    0    4   35 o   37.959   0.3317   26.995  -0.3000  -0.61   0.00   0.00   0.00 
1 1 1    0    4   36 o   2.9665   1.1804   3.2432  -0.5000   0.04   0.00   0.00   0.00 
1 1 1    0    4   37 o   9.8285   0.5576   0.1486  134.700   0.18   0.00   0.00   0.00 
1 1 1    0    4   38 o   13.416   0.4400   14.378   0.6000  -0.23   0.00   0.00   0.00 
1 1 1    0    4   39 f   0.7746   1.4086   6.0104  -0.3000   0.03   0.00   0.00   0.00 
1 1 1    0    4   40 o   8.9944   0.6225   13.144 -180.0000   0.05   0.00   0.00   0.00 
1 1 1    0    4   41 f   14.177   0.4277   16.243   0.4000  -0.06   0.00   0.00   0.00 
1 1 1    0    5    1 o   13.986   0.1416   1.0186   78.800  -0.00  -0.08   0.00   0.00 
1 1 1    0    5    2 o   91.723   1.0621   95.764 -90.3000  -0.00  -0.98   0.00   0.00 
1 1 1    0    5    3 o   63.988   0.4053   70.828 -90.3000  -0.00  -0.46   0.00   0.00 
1 1 1    0    5    4 o   43.421   0.3993   45.714   90.100  -0.00  -0.06   0.00   0.00 
1 1 1    0    5    5 o   61.800   0.3979   57.733   90.100  -0.00  -0.05   0.00   0.00 
1 1 1    0    5    6 o   53.936   0.3280   55.779   90.500  -0.00  -0.61   0.00   0.00 
1 1 1    0    5    9 o   3.1781   0.4021   13.589 -89.9000   0.00   0.02   0.00   0.00 
1 1 1    0    5   10 o   47.707   0.3682   54.570   90.200   0.00   0.36   0.00   0.00 
1 1 1    0    5   11 o   54.310   0.3503   45.178 -90.4000  -0.00  -0.80   0.00   0.00 
1 1 1    0    5   12 o   58.113   0.3651   67.300 -90.1000  -0.00  -0.46   0.00   0.00 
1 1 1    0    5   13 o   38.316   0.2850   19.971   90.100   0.00   0.13   0.00   0.00 
1 1 1    0    5   14 o   20.847   0.2909   20.041   88.600  -0.00  -0.18   0.00   0.00 
1 1 1    0    5   15 o   7.8677   0.2939   15.432 -89.5000   0.00   0.01   0.00   0.00 
1 1 1    0    5   16 o   27.219   0.2421   9.6986   89.100   0.00   0.17   0.00   0.00 
1 1 1    0    5   17 f   36.916   0.2703   31.189   90.000   0.00   0.22   0.00   0.00 
1 1 1    0    5   18 o   86.409   0.5434   97.140 -89.9000  -0.00  -0.02   0.00   0.00 
1 1 1    0    5   19 o   49.574   0.3406   38.562   90.100  -0.00  -0.12   0.00   0.00 
1 1 1    0    5   20 o   65.941   0.4182   44.924   89.500   0.00   0.03   0.00   0.00 
1 1 1    0    5   21 o   21.102   0.2436   28.345   89.700   0.00   0.09   0.00   0.00 
1 1 1    0    5   22 o   14.170   0.2870   13.021   88.300   0.00   0.10   0.00   0.00 
1 1 1    0    5   23 o   62.856   0.4212   31.753   90.400   0.00   0.13   0.00   0.00 
1 1 1    0    5   24 f   39.193   0.3239   41.243   89.500   0.00   0.04   0.00   0.00 
1 1 1    0    5   25 o  131.241   0.7884  119.297 -90.0000  -0.00  -0.57   0.00   0.00 
1 1 1    0    5   26 o   43.471   0.4181   32.653   90.500  -0.00  -0.16   0.00   0.00 
1 1 1    0    5   27 o   6.2209   0.7674   14.429   89.500  -0.00  -0.02   0.00   0.00 
1 1 1    0    5   28 f   2.0248   1.2997   2.9720   79.200  -0.00  -0.00   0.00   0.00 
1 1 1    0    5   29 o   8.7464   0.5224   19.900   90.000   0.00   0.09   0.00   0.00 
1 1 1    0    5   30 o   0.0000   3.1464   5.8222   92.900  -0.00  -0.00   0.00   0.00 
1 1 1    0    5   31 o   53.697   0.4222   62.529   89.900   0.00   0.92   0.00   0.00 
1 1 1    0    5   32 o   52.399   0.4043   69.903   89.900   0.00   0.17   0.00   0.00 
1 1 1    0    5   33 f   68.089   0.4885   46.223 -90.1000  -0.00  -2.81   0.00   0.00 
1 1 1    0    5   34 o   17.556   0.3654   11.453 -90.7000   0.00   0.26   0.00   0.00 
1 1 1    0    5   35 o   22.336   0.3243   30.119   89.900   0.00   0.64   0.00   0.00 
1 1 1    0    5   36 o   25.992   0.3436   23.623 -90.0000  -0.00  -0.66   0.00   0.00 
1 1 1    0    5   37 o   37.174   0.3649   23.321 -90.3000   0.00   0.13   0.00   0.00 
1 1 1    0    5   38 o   8.9610   0.6050   2.2055 -89.3000  -0.00  -0.20   0.00   0.00 
1 1 1    0    5   39 o   1.1402   1.4603   0.0738  152.600  -0.00  -0.10   0.00   0.00 
1 1 1    0    5   40 o   15.865   0.3785   12.480   90.400   0.00   0.01   0.00   0.00 
1 1 1    0    5   41 o   19.710   0.4124   18.119   90.000  -0.00  -0.12   0.00   0.00 
1 1 1    0    6    0 o   33.795   0.4468   25.986  -0.7000   0.03   0.00   0.00   0.00 
1 1 1    0    6    1 o   39.313   0.2565   36.453   0.5000   0.43   0.00   0.00   0.00 
1 1 1    0    6    2 o   22.503   0.1873   8.0753  -0.8000   0.29   0.00   0.00   0.00 
1 1 1    0    6    3 o   25.118   0.1857   13.537  -0.3000   0.28   0.00   0.00   0.00 
1 1 1    0    6    4 o   56.979   0.3497   60.508  -0.2000   0.45   0.00   0.00   0.00 
1 1 1    0    6    5 o   43.992   0.2857   37.025  -0.2000  -0.66   0.00   0.00   0.00 
1 1 1    0    6    6 o   55.272   0.3372   47.924   0.5000   0.09   0.00   0.00   0.00 
1 1 1    0    6    7 o   12.017   0.2166   18.506   0.9000  -0.06   0.00   0.00   0.00 
1 1 1    0    6    8 o   52.925   0.3351   70.405   0.1000  -0.08   0.00   0.00   0.00 
1 1 1    0    6    9 o   57.917   0.3578   46.685   0.5000   0.27   0.00   0.00   0.00 
1 1 1    0    6   10 o   76.685   0.4602   62.853   0.5000  -0.09   0.00   0.00   0.00 
1 1 1    0    6   11 o   69.180   0.4260   75.841  180.000  -0.80   0.00   0.00   0.00 
1 1 1    0    6   12 f   71.804   0.4443   92.952  179.500   0.44   0.00   0.00   0.00 
1 1 1    0    6   13 o   43.696   0.3023   40.643 -179.7000  -0.63   0.00   0.00   0.00 
1 1 1    0    6   14 o   17.734   0.2227   6.3236  177.700  -0.50   0.00   0.00   0.00 
1 1 1    0    6   15 o   47.945   0.4607   10.664  179.200   0.93   0.00   0.00   0.00 
1 1 1    0    6   16 o   6.2929   0.3814   12.136  176.400  -0.05   0.00   0.00   0.00 
1 1 1    0    6   17 o   13.145   0.2902   7.9647  179.700  -0.04   0.00   0.00   0.00 
1 1 1    0    6   18 o   47.842   0.3187   34.044  -0.3000   0.17   0.00   0.00   0.00 
1 1 1    0    6   19 o   66.077   0.4293   64.330 -179.7000  -0.37   0.00   0.00   0.00 
1 1 1    0    6   20 o   11.874   0.3157   45.871  179.500  -0.07   0.00   0.00   0.00 
1 1 1    0    6   21 o   91.975   0.5523  110.510  -0.2000   0.39   0.00   0.00   0.00 
1 1 1    0    6   22 f   36.101   0.2776   45.602 -179.7000  -0.02   0.00   0.00   0.00 
1 1 1    0    6   23 o   81.681   0.5134   80.353   0.1000   0.16   0.00   0.00   0.00 
1 1 1    0    6   24 o   43.404   0.3361   47.665   0.2000  -0.03   0.00   0.00   0.00 
1 1 1    0    6   25 o   0.0000   3.7148   17.354  -0.0000   0.01   0.00   0.00   0.00 
1 1 1    0    6   26 o   9.5603   0.7180   7.3181 -176.4000   0.00   0.00   0.00   0.00 
1 1 1    0    6   27 o   14.574   0.3745   18.993  179.700   0.02   0.00   0.00   0.00 
1 1 1    0    6   28 o   9.2250   0.5127   5.0788  179.100  -0.00   0.00   0.00   0.00 
1 1 1    0    6   29 o   66.425   0.4575   61.439  -0.2000   0.45   0.00   0.00   0.00 
1 1 1    0    6   30 o   2.0736   1.2590   13.901  -0.7000   0.02   0.00   0.00   0.00 
1 1 1    0    6   31 f   25.474   0.2930   29.141   0.5000   0.06   0.00   0.00   0.00 
1 1 1    0    6   32 o   6.0083   0.6900   7.7808  -0.6000   0.08   0.00   0.00   0.00 
1 1 1    0    6   33 o   17.771   0.3368   25.090  -0.2000   0.05   0.00   0.00   0.00 
1 1 1    0    6   34 o   2.6268   1.2235   6.1743   0.1000   0.05   0.00   0.00   0.00 
1 1 1    0    6   35 o   13.996   0.3722   13.998  -0.0000  -0.21   0.00   0.00   0.00 
1 1 1    0    6   36 o   8.3006   0.5892   11.041  -0.2000   0.18   0.00   0.00   0.00 
1 1 1    0    6   37 o   27.019   0.3543   21.190  -0.1000   0.50   0.00   0.00   0.00 
1 1 1    0    6   38 o   15.560   0.3641   15.752   0.3000  -0.25   0.00   0.00   0.00 
1 1 1    0    6   39 o   8.4321   0.6429   7.8941  -0.1000   0.06   0.00   0.00   0.00 
1 1 1    0    6   40 o   4.0620   1.0471   3.7618 -179.2000   0.05   0.00   0.00   0.00 
1 1 1    0    6   41 o   3.4059   1.3829   1.6223   0.3000  -0.18   0.00   0.00   0.00 
1 1 1    0    7    1 o   79.343   0.5830   97.431 -90.2000   0.00   0.24   0.00   0.00 
1 1 1    0    7    2 o   27.238   0.2726   21.006 -90.5000  -0.00  -0.03   0.00   0.00 
1 1 1    0    7    3 o   17.774   0.1700   26.933   90.100  -0.00  -0.18   0.00   0.00 
1 1 1    0    7    4 o   59.223   0.3633   45.925 -90.4000   0.00   0.44   0.00   0.00 
1 1 1    0    7    5 o   7.4431   0.2406   27.144 -90.0000  -0.00  -0.02   0.00   0.00 
1 1 1    0    7    6 o   61.937   0.3859   60.461   89.500  -0.00  -0.58   0.00   0.00 
1 1 1    0    7    7 o   18.625   0.1755   20.337   90.300  -0.00  -0.21   0.00   0.00 
1 1 1    0    7    8 f   3.4929   0.3731   11.487 -92.5000  -0.00  -0.01   0.00   0.00 
1 1 1    0    7    9 o   36.767   0.2445   33.489 -90.0000   0.00   0.38   0.00   0.00 
1 1 1    0    7   10 o   71.304   0.4294   86.204   89.700  -0.00  -0.49   0.00   0.00 
1 1 1    0    7   11 o   4.7749   0.3138   8.2414   86.600  -0.00  -0.03   0.00   0.00 
1 1 1    0    7   12 o   7.7201   0.2750   10.639 -91.6000  -0.00  -0.01   0.00   0.00 
1 1 1    0    7   13 o   25.028   0.2178   35.494   89.500   0.00   0.74   0.00   0.00 
1 1 1    0    7   14 o   41.889   0.3069   37.366   89.500  -0.00  -0.51   0.00   0.00 
1 1 1    0    7   15 o   4.1231   0.5044   19.225   89.300   0.00   0.04   0.00   0.00 
1 1 1    0    7   16 o   23.147   0.2437   23.729   89.900   0.00   0.13   0.00   0.00 
1 1 1    0    7   17 o   64.981   0.4174   61.029 -89.8000  -0.00  -0.09   0.00   0.00 
1 1 1    0    7   18 o   59.595   0.3793   42.212 -89.9000   0.00   0.16   0.00   0.00 
1 1 1    0    7   19 o   10.630   0.3239   0.8496 -92.0000  -0.00  -0.01   0.00   0.00 
1 1 1    0    7   20 o   36.209   0.2890   64.704 -90.0000  -0.00  -0.18   0.00   0.00 
1 1 1    0    7   21 o   29.646   0.2608   40.464   89.900   0.00   0.04   0.00   0.00 
1 1 1    0    7   22 o   25.497   0.2524   22.160   90.200   0.00   0.01   0.00   0.00 
1 1 1    0    7   23 o   1.3416   1.4031   4.1356 -96.9000   0.00   0.02   0.00   0.00 
1 1 1    0    7   24 o   69.153   0.4654   65.955   90.000   0.00   0.20   0.00   0.00 
1 1 1    0    7   25 o   38.696   0.4205   29.340 -90.3000   0.00   0.05   0.00   0.00 
1 1 1    0    7   26 o   39.737   0.3443   20.156   90.100   0.00   0.15   0.00   0.00 
1 1 1    0    7   27 o   32.120   0.3068   35.464   90.300  -0.00  -0.14   0.00   0.00 
1 1 1    0    7   28 o   16.667   0.3582   15.708   89.700   0.00   0.05   0.00   0.00 
1 1 1    0    7   29 o   22.722   0.3147   29.146 -89.3000  -0.00  -0.08   0.00   0.00 
1 1 1    0    7   30 o   18.488   0.3164   1.9018  103.100   0.00   0.17   0.00   0.00 
1 1 1    0    7   31 o   25.237   0.3112   30.498   90.100  -0.00  -0.14   0.00   0.00 
1 1 1    0    7   32 f   24.104   0.3072   50.601   89.900   0.00   0.03   0.00   0.00 
1 1 1    0    7   33 o   13.788   0.3775   24.869 -89.9000  -0.00  -0.63   0.00   0.00 
1 1 1    0    7   34 o   14.471   0.3639   18.932 -90.4000  -0.00  -0.06   0.00   0.00 
1 1 1    0    7   35 o   3.8471   0.9702   4.1915   88.600   0.00   0.13   0.00   0.00 
1 1 1    0    7   36 o   7.7524   0.6303   10.607 -89.8000  -0.00  -0.06   0.00   0.00 
1 1 1    0    7   37 o   19.097   0.3622   20.054 -89.9000   0.00   0.25   0.00   0.00 
1 1 1    0    7   38 o   9.6902   0.5601   20.016   90.300   0.00   0.18   0.00   0.00 
1 1 1    0    7   39 o   18.276   0.4172   11.359 -90.1000  -0.00  -0.66   0.00   0.00 
1 1 1    0    7   40 o   8.5965   0.6724   6.4013   90.100   0.00   0.14   0.00   0.00 
1 1 1    0    7   41 o   8.1854   0.8030   8.8338   89.900  -0.00  -0.02   0.00   0.00 
1 1 1    0    8    0 f   15.553   0.2312   8.1048   2.4000  -0.02   0.00   0.00   0.00 
1 1 1    0    8    1 o   39.305   0.2616   50.929 -179.9000   0.06   0.00   0.00   0.00 
1 1 1    0    8    2 o   20.550   0.2571   4.9969   4.0000  -0.04   0.00   0.00   0.00 
1 1 1    0    8    3 o   12.787   0.2568   3.6045  178.000   0.07   0.00   0.00   0.00 
1 1 1    0    8    4 o   34.634   0.2366   38.463 -179.1000   0.12   0.00   0.00   0.00 
1 1 1    0    8    5 o   7.2938   0.2260   3.2498 -176.8000  -0.03   0.00   0.00   0.00 
1 1 1    0    8    6 f   42.585   0.3077   38.834  179.000  -0.02   0.00   0.00   0.00 
1 1 1    0    8    7 f   49.603   0.3155   72.801  179.700   0.03   0.00   0.00   0.00 
1 1 1    0    8    8 f   14.227   0.1839   3.5004  177.300  -0.02   0.00   0.00   0.00 
1 1 1    0    8    9 o   31.550   0.2328   39.441   0.2000   0.19   0.00   0.00   0.00 
1 1 1    0    8   10 o   5.8224   0.2783   5.9952 -175.1000   0.04   0.00   0.00   0.00 
1 1 1    0    8   11 f   31.138   0.2374   21.305  179.700  -0.32   0.00   0.00   0.00 
1 1 1    0    8   12 o   28.573   0.2464   27.020 -179.7000  -0.05   0.00   0.00   0.00 
1 1 1    0    8   13 f   27.590   0.2283   45.302  179.300   0.00   0.00   0.00   0.00 
1 1 1    0    8   14 o   20.816   0.2281   32.973 -179.9000   0.07   0.00   0.00   0.00 
1 1 1    0    8   15 o   40.863   0.2867   37.604 -179.5000   0.44   0.00   0.00   0.00 
1 1 1    0    8   16 o   21.631   0.2310   11.347  -0.1000   0.04   0.00   0.00   0.00 
1 1 1    0    8   17 o   55.230   0.3696   68.045   0.2000  -0.13   0.00   0.00   0.00 
1 1 1    0    8   18 o   38.338   0.3028   40.169  -0.7000   0.12   0.00   0.00   0.00 
1 1 1    0    8   19 o   38.595   0.3199   42.601 -179.5000  -0.00   0.00   0.00   0.00 
1 1 1    0    8   20 o   78.457   0.4927   77.750 -180.0000  -0.15   0.00   0.00   0.00 
1 1 1    0    8   21 o   8.6371   0.4349   12.044   0.4000   0.02   0.00   0.00   0.00 
1 1 1    0    8   22 o   15.238   0.3087   33.010  179.700  -0.05   0.00   0.00   0.00 
1 1 1    0    8   23 o   19.034   0.3101   18.318  -0.7000  -0.05   0.00   0.00   0.00 
1 1 1    0    8   24 o   14.484   0.4938   29.397  179.700   0.02   0.00   0.00   0.00 
1 1 1    0    8   25 o   45.983   0.3850   56.229   0.0000   0.04   0.00   0.00   0.00 
1 1 1    0    8   26 o   90.941   0.5623  110.115 -179.9000  -0.48   0.00   0.00   0.00 
1 1 1    0    8   27 o   45.495   0.3685   42.705   0.1000  -0.05   0.00   0.00   0.00 
1 1 1    0    8   28 o   30.685   0.3049   44.289  179.700   0.03   0.00   0.00   0.00 
1 1 1    0    8   29 f   4.6690   0.8786   8.8107  178.500   0.02   0.00   0.00   0.00 
1 1 1    0    8   30 o   17.024   0.3341   16.089 -179.9000  -0.05   0.00   0.00   0.00 
1 1 1    0    8   31 o   29.504   0.2936   26.198  -0.0000  -0.06   0.00   0.00   0.00 
1 1 1    0    8   32 o   23.789   0.2907   23.823 -180.0000  -0.15   0.00   0.00   0.00 
1 1 1    0    8   33 o   0.0000   2.9833   7.8368  180.000  -0.00   0.00   0.00   0.00 
1 1 1    0    8   34 f   50.098   0.3931   56.155  180.000  -1.03   0.00   0.00   0.00 
1 1 1    0    8   35 o   15.310   0.3667   14.898   0.2000  -0.40   0.00   0.00   0.00 
1 1 1    0    8   36 o   2.6268   1.1647   1.4306 -176.3000   0.02   0.00   0.00   0.00 
1 1 1    0    8   37 o   7.2388   0.6677   3.0972   0.7000   0.09   0.00   0.00   0.00 
1 1 1    0    8   38 o   4.1593   1.0096   9.6313   0.4000  -0.04   0.00   0.00   0.00 
1 1 1    0    8   39 o   20.945   0.3429   16.763  179.800   0.00   0.00   0.00   0.00 
1 1 1    0    8   40 o   9.9549   0.6494   9.7230 -179.9000   0.08   0.00   0.00   0.00 
1 1 1    0    9    1 o   12.478   0.1700   8.5296 -90.2000   0.00   0.04   0.00   0.00 
1 1 1    0    9    2 o   58.845   0.3598   80.375 -90.2000  -0.00  -0.34   0.00   0.00 
1 1 1    0    9    3 o   58.839   0.3657   53.893 -90.3000   0.00   0.13   0.00   0.00 
1 1 1    0    9    4 o   53.013   0.3365   49.810   90.100   0.00   0.33   0.00   0.00 
1 1 1    0    9    5 o   54.150   0.3377   50.195   90.200   0.00   0.89   0.00   0.00 
1 1 1    0    9    6 o   46.011   0.3076   49.270 -89.8000   0.00   0.03   0.00   0.00 
1 1 1    0    9    7 o   81.061   0.4783   70.807 -89.7000  -0.00  -0.04   0.00   0.00 
1 1 1    0    9    8 o   4.8477   0.3547   3.2462   92.800   0.00   0.05   0.00   0.00 
1 1 1    0    9    9 o   53.915   0.3391   68.682   90.600   0.00   0.54   0.00   0.00 
1 1 1    0    9   10 o   6.4653   0.3167   41.223 -89.8000  -0.00  -0.02   0.00   0.00 
1 1 1    0    9   11 o   6.3561   0.3429   13.659 -89.2000  -0.00  -0.17   0.00   0.00 
1 1 1    0    9   12 o   23.091   0.2103   21.467   89.500   0.00   0.67   0.00   0.00 
1 1 1    0    9   13 f   5.0892   0.4248   11.567 -89.9000  -0.00  -0.05   0.00   0.00 
1 1 1    0    9   14 o   14.089   0.2407   30.415 -90.1000  -0.00  -0.13   0.00   0.00 
1 1 1    0    9   15 o   82.946   0.5104   60.502 -89.8000  -0.00  -0.86   0.00   0.00 
1 1 1    0    9   16 o   36.201   0.2701   33.674 -90.1000  -0.00  -0.02   0.00   0.00 
1 1 1    0    9   17 o   2.5100   0.8630   25.221 -90.0000  -0.00  -0.00   0.00   0.00 
1 1 1    0    9   18 o   22.510   0.2352   16.157   90.200   0.00   0.04   0.00   0.00 
1 1 1    0    9   19 o   53.085   0.3667   53.221 -89.9000   0.00   0.05   0.00   0.00 
1 1 1    0    9   20 o   17.091   0.2707   23.696 -89.6000  -0.00  -0.07   0.00   0.00 
1 1 1    0    9   21 o   44.936   0.3314   59.229 -90.1000  -0.00  -0.29   0.00   0.00 
1 1 1    0    9   22 o   33.669   0.3017   42.600   90.000   0.00   0.02   0.00   0.00 
1 1 1    0    9   23 f   51.441   0.3571   29.691 -89.9000  -0.00  -0.20   0.00   0.00 
1 1 1    0    9   24 o   31.513   0.4381   24.729   89.900  -0.00  -0.05   0.00   0.00 
1 1 1    0    9   25 f   19.705   0.4003   26.212 -90.5000  -0.00  -0.07   0.00   0.00 
1 1 1    0    9   26 o   19.905   0.3116   17.153 -88.7000  -0.00  -0.02   0.00   0.00 
1 1 1    0    9   27 o   10.325   0.4851   4.5548 -88.0000  -0.00  -0.04   0.00   0.00 
1 1 1    0    9   28 o   55.670   0.4048   50.335 -89.4000  -0.00  -0.82   0.00   0.00 
1 1 1    0    9   29 o   47.671   0.3788   43.481 -90.1000   0.00   0.65   0.00   0.00 
1 1 1    0    9   30 o   12.606   0.3885   20.092 -89.8000   0.00   0.04   0.00   0.00 
1 1 1    0    9   31 o   5.3944   0.7854   5.7224   90.400   0.00   0.15   0.00   0.00 
1 1 1    0    9   32 o   2.2136   1.1931   6.0670   88.800   0.00   0.00   0.00   0.00 
1 1 1    0    9   33 o   14.687   0.3458   18.826   89.700  -0.00  -0.24   0.00   0.00 
1 1 1    0    9   34 o   24.282   0.3251   17.426   89.800  -0.00  -0.05   0.00   0.00 
1 1 1    0    9   35 o   5.9917   0.8093   7.6826   90.900   0.00   0.21   0.00   0.00 
1 1 1    0    9   36 o   6.0166   0.8068   10.361 -89.8000   0.00   0.09   0.00   0.00 
1 1 1    0    9   37 o   0.0000   3.1937   1.7051 -93.3000  -0.00  -0.01   0.00   0.00 
1 1 1    0    9   38 o   34.414   0.3352   33.464   90.100   0.00   0.44   0.00   0.00 
1 1 1    0    9   39 o   19.910   0.3891   12.951 -89.9000  -0.00  -0.29   0.00   0.00 
1 1 1    0    9   40 o   1.0000   1.5721   2.1403 -92.1000   0.00   0.03   0.00   0.00 
1 1 1    0   10    0 o   37.332   0.3503   23.106   0.3000  -0.02   0.00   0.00   0.00 
1 1 1    0   10    1 o   14.694   0.1649   2.9124  -8.7000  -0.04   0.00   0.00   0.00 
1 1 1    0   10    2 o   23.098   0.1911   10.981 -179.6000  -0.07   0.00   0.00   0.00 
1 1 1    0   10    3 o   3.4641   0.3988   0.7499 -177.6000   0.00   0.00   0.00   0.00 
1 1 1    0   10    4 o   9.8031   0.2146   21.796   0.9000   0.01   0.00   0.00   0.00 
1 1 1    0   10    5 o   39.551   0.2700   20.334  -0.9000  -0.01   0.00   0.00   0.00 
1 1 1    0   10    6 o   37.074   0.2532   33.822  -0.4000  -0.34   0.00   0.00   0.00 
1 1 1    0   10    7 o   63.109   0.4218   53.899   0.0000   1.02   0.00   0.00   0.00 
1 1 1    0   10    8 o   14.025   0.1865   17.188   1.2000  -0.06   0.00   0.00   0.00 
1 1 1    0   10    9 o   8.3307   0.2278   15.983  -1.8000   0.18   0.00   0.00   0.00 
1 1 1    0   10   10 o   23.362   0.2979   1.5114 -179.4000   0.45   0.00   0.00   0.00 
1 1 1    0   10   11 o   56.882   0.3607   26.904   0.0000   0.29   0.00   0.00   0.00 
1 1 1    0   10   12 o   19.761   0.2400   46.981  179.900  -0.35   0.00   0.00   0.00 
1 1 1    0   10   13 o   18.783   0.2080   22.822   1.0000   0.16   0.00   0.00   0.00 
1 1 1    0   10   14 f   25.136   0.2169   19.348  179.900   0.18   0.00   0.00   0.00 
1 1 1    0   10   15 o   27.439   0.2420   33.805  179.600  -0.03   0.00   0.00   0.00 
1 1 1    0   10   16 o   69.550   0.4393   54.818 -179.9000  -0.03   0.00   0.00   0.00 
1 1 1    0   10   17 f   3.6606   0.6807   29.044 -179.7000  -0.01   0.00   0.00   0.00 
1 1 1    0   10   18 o   36.352   0.2717   34.722  179.600   0.00   0.00   0.00   0.00 
1 1 1    0   10   19 f   37.222   0.2972   3.2848  173.900   0.04   0.00   0.00   0.00 
1 1 1    0   10   20 o   62.052   0.4003   53.382 -180.0000   0.14   0.00   0.00   0.00 
1 1 1    0   10   21 o   1.8439   1.2004   7.9440   0.8000   0.00   0.00   0.00   0.00 
1 1 1    0   10   22 o   63.474   0.4148   64.610   0.2000  -0.04   0.00   0.00   0.00 
1 1 1    0   10   23 o   17.199   0.4005   19.826  179.800  -0.06   0.00   0.00   0.00 
1 1 1    0   10   24 o   18.240   0.3996   9.9747   1.2000   0.21   0.00   0.00   0.00 
1 1 1    0   10   25 o   38.551   0.3164   34.839  179.800  -0.24   0.00   0.00   0.00 
1 1 1    0   10   26 o   35.672   0.3827   35.995 -179.9000  -0.28   0.00   0.00   0.00 
1 1 1    0   10   27 o   28.898   0.2997   23.810  -0.7000  -0.21   0.00   0.00   0.00 
1 1 1    0   10   28 o   5.5317   0.7707   11.969  179.500   0.02   0.00   0.00   0.00 
1 1 1    0   10   29 o   67.701   0.4490   63.646  179.900  -1.13   0.00   0.00   0.00 
1 1 1    0   10   30 o   10.387   0.4472   12.571 -179.9000   0.01   0.00   0.00   0.00 
1 1 1    0   10   31 o   18.947   0.2962   22.984  -0.3000   0.11   0.00   0.00   0.00 
1 1 1    0   10   32 o   0.0000   3.0822   4.3244 -178.2000   0.01   0.00   0.00   0.00 
1 1 1    0   10   33 o   20.253   0.3040   21.505 -179.5000   0.10   0.00   0.00   0.00 
1 1 1    0   10   34 o   56.570   0.4037   50.543 -180.0000  -0.93   0.00   0.00   0.00 
1 1 1    0   10   35 o   35.843   0.3481   28.213   0.1000  -0.17   0.00   0.00   0.00 
1 1 1    0   10   36 o   18.647   0.3784   8.9757  -0.7000   0.39   0.00   0.00   0.00 
1 1 1    0   10   37 o   4.4609   0.9883   8.2247  -1.2000   0.15   0.00   0.00   0.00 
1 1 1    0   10   38 o   12.720   0.4771   14.344   0.1000  -0.15   0.00   0.00   0.00 
1 1 1    0   10   39 o   9.5917   0.5837   5.1775  178.700  -0.13   0.00   0.00   0.00 
1 1 1    0   10   40 f   12.219   0.5177   15.116 -179.6000  -0.45   0.00   0.00   0.00 
1 1 1    0   11    1 o   33.257   0.2655   42.357 -89.6000   0.00   0.26   0.00   0.00 
1 1 1    0   11    2 o   5.2154   0.3497   18.895 -89.7000  -0.00  -0.03   0.00   0.00 
1 1 1    0   11    3 o   26.784   0.2130   5.5796 -89.8000  -0.00  -0.12   0.00   0.00 
1 1 1    0   11    4 o   9.3327   0.2147   9.5642   90.000   0.00   0.02   0.00   0.00 
1 1 1    0   11    5 o   49.746   0.3096   65.559 -89.9000  -0.00  -0.23   0.00   0.00 
1 1 1    0   11    6 o   17.760   0.1839   13.949 -90.8000   0.00   0.04   0.00   0.00 
1 1 1    0   11    7 f   6.3325   0.3012   3.7184 -96.0000   0.00   0.00   0.00   0.00 
1 1 1    0   11    8 f   30.468   0.2313   31.280   90.000   0.00   0.06   0.00   0.00 
1 1 1    0   11    9 o   52.907   0.3390   38.307 -90.5000  -0.00  -0.42   0.00   0.00 
1 1 1    0   11   10 o   55.766   0.3749   56.768 -90.2000  -0.00  -0.99   0.00   0.00 
1 1 1    0   11   11 o   14.960   0.1979   4.3844 -91.9000   0.00   0.04   0.00   0.00 
1 1 1    0   11   12 o   5.7359   0.3448   6.7890   85.500   0.00   0.08   0.00   0.00 
1 1 1    0   11   13 o   22.168   0.2100   32.209   90.700   0.00   0.24   0.00   0.00 
1 1 1    0   11   14 o   22.952   0.2179   6.2215 -89.1000  -0.00  -0.15   0.00   0.00 
1 1 1    0   11   15 o   75.498   0.4699   69.015 -90.3000  -0.00  -0.42   0.00   0.00 
1 1 1    0   11   16 o   49.365   0.3350   65.698 -89.9000   0.00   0.08   0.00   0.00 
1 1 1    0   11   17 o   4.1593   0.5849   2.1748 -84.8000   0.00   0.00   0.00   0.00 
1 1 1    0   11   18 f   39.105   0.2869   36.781   89.600   0.00   0.19   0.00   0.00 
1 1 1    0   11   19 o   22.334   0.2524   27.770   90.100  -0.00  -0.05   0.00   0.00 
1 1 1    0   11   20 o   20.890   0.2740   24.300 -90.2000   0.00   0.00   0.00   0.00 
1 1 1    0   11   21 o   14.950   0.3655   12.508   90.900  -0.00  -0.01   0.00   0.00 
1 1 1    0   11   22 o   28.335   0.3296   43.221   90.000   0.00   0.02   0.00   0.00 
1 1 1    0   11   23 o   21.291   0.5760   1.4837   81.900   0.00   0.03   0.00   0.00 
1 1 1    0   11   24 o   3.8210   1.1000   16.721 -90.2000   0.00   0.01   0.00   0.00 
1 1 1    0   11   25 o   6.6783   0.6083   14.324   89.300   0.00   0.04   0.00   0.00 
1 1 1    0   11   26 o   8.2523   0.5552   3.5271 -95.0000   0.00   0.01   0.00   0.00 
1 1 1    0   11   27 o   12.700   0.3894   28.568 -89.9000  -0.00  -0.06   0.00   0.00 
1 1 1    0   11   28 o   21.487   0.3051   12.541 -90.4000  -0.00  -0.23   0.00   0.00 
1 1 1    0   11   29 o   3.8210   0.9983   7.3484   86.100  -0.00  -0.02   0.00   0.00 
1 1 1    0   11   30 o   1.5492   1.3756   10.283   90.500   0.00   0.06   0.00   0.00 
1 1 1    0   11   31 o   29.326   0.3071   20.201 -90.2000   0.00   0.10   0.00   0.00 
1 1 1    0   11   32 o   0.0000   3.0331   11.417 -90.2000  -0.00  -0.02   0.00   0.00 
1 1 1    0   11   33 o   6.4885   0.7238   0.5538 -77.8000  -0.00  -0.16   0.00   0.00 
1 1 1    0   11   34 f   13.405   0.3877   11.130   90.400  -0.00  -0.31   0.00   0.00 
1 1 1    0   11   35 o   17.164   0.3511   19.238   90.300   0.00   0.59   0.00   0.00 
1 1 1    0   11   36 o   29.098   0.3363   27.889 -90.1000  -0.00  -0.29   0.00   0.00 
1 1 1    0   11   37 o   40.202   0.3489   41.442   90.100  -0.00  -0.01   0.00   0.00 
1 1 1    0   11   38 o   18.971   0.3671   17.282   90.100  -0.00  -0.19   0.00   0.00 
1 1 1    0   11   39 o   4.6476   1.1445   2.2438 -90.7000  -0.00  -0.03   0.00   0.00 
1 1 1    0   12    0 o   37.550   0.3679   34.338 -179.9000  -0.14   0.00   0.00   0.00 
1 1 1    0   12    1 o   10.867   0.2341   9.3133 -177.9000   0.07   0.00   0.00   0.00 
1 1 1    0   12    2 o   13.248   0.2117   10.078  -1.8000   0.08   0.00   0.00   0.00 
1 1 1    0   12    3 o   12.284   0.2199   10.087 -179.8000   0.07   0.00   0.00   0.00 
1 1 1    0   12    4 o   27.304   0.2162   39.283  179.600   0.09   0.00   0.00   0.00 
1 1 1    0   12    5 o   6.5651   0.3330   0.4137 -20.4000  -0.08   0.00   0.00   0.00 
1 1 1    0   12    6 o   39.632   0.2731   35.758  -0.0000  -0.33   0.00   0.00   0.00 
1 1 1    0   12    7 o   38.836   0.2723   25.945  -0.1000  -0.60   0.00   0.00   0.00 
1 1 1    0   12    8 f   16.965   0.2783   21.909   0.7000  -0.07   0.00   0.00   0.00 
1 1 1    0   12    9 o   94.085   0.5526   95.846  179.900  -2.44   0.00   0.00   0.00 
1 1 1    0   12   10 o   3.7014   0.5272   6.0188  178.200   0.03   0.00   0.00   0.00 
1 1 1    0   12   11 o   27.225   0.2240   23.627  -0.2000  -0.42   0.00   0.00   0.00 
1 1 1    0   12   12 o   24.710   0.3393   16.189  178.400  -0.16   0.00   0.00   0.00 
1 1 1    0   12   13 o   52.645   0.4006   25.506  178.800   0.13   0.00   0.00   0.00 
1 1 1    0   12   14 o   32.275   0.2780   26.549  179.400   0.09   0.00   0.00   0.00 
1 1 1    0   12   15 o   32.536   0.2531   11.540  -0.2000  -0.01   0.00   0.00   0.00 
1 1 1    0   12   16 o   29.115   0.2553   38.474  -0.2000  -0.02   0.00   0.00   0.00 
1 1 1    0   12   17 o   30.702   0.2648   12.719  179.700   0.09   0.00   0.00   0.00 
1 1 1    0   12   18 o   0.0000   2.7203   20.012 -179.8000  -0.00   0.00   0.00   0.00 
1 1 1    0   12   19 f   73.147   0.4565   65.720  179.900   0.06   0.00   0.00   0.00 
1 1 1    0   12   20 o   27.873   0.3104   24.965  179.300   0.07   0.00   0.00   0.00 
1 1 1    0   12   21 o   0.0000   3.1781   24.041   0.2000  -0.00   0.00   0.00   0.00 
1 1 1    0   12   22 o   23.322   0.5630   11.513  -2.0000  -0.14   0.00   0.00   0.00 
1 1 1    0   12   23 o   67.863   0.4574   43.277  -0.3000   0.15   0.00   0.00   0.00 
1 1 1    0   12   24 o   45.408   0.3659   51.951  -0.3000   0.46   0.00   0.00   0.00 
1 1 1    0   12   25 o   30.103   0.3009   33.794  179.400   0.35   0.00   0.00   0.00 
1 1 1    0   12   26 o   4.0866   0.9507   0.1271  169.600  -0.02   0.00   0.00   0.00 
1 1 1    0   12   27 o   26.084   0.3200   36.083  -0.4000   0.55   0.00   0.00   0.00 
1 1 1    0   12   28 o   16.486   0.3416   18.072 -179.2000   0.05   0.00   0.00   0.00 
1 1 1    0   12   29 o   17.547   0.3409   1.4347   3.0000  -0.08   0.00   0.00   0.00 
1 1 1    0   12   30 o   4.2544   0.8717   3.2261  -1.2000   0.02   0.00   0.00   0.00 
1 1 1    0   12   31 o   16.718   0.3342   23.286  -0.2000   0.54   0.00   0.00   0.00 
1 1 1    0   12   32 o   8.0436   0.5405   1.6784  -0.1000   0.11   0.00   0.00   0.00 
1 1 1    0   12   33 o   13.550   0.4047   21.719 -179.9000  -0.48   0.00   0.00   0.00 
1 1 1    0   12   34 o   27.379   0.3409   21.707 -179.9000  -0.41   0.00   0.00   0.00 
1 1 1    0   12   35 o   6.2370   0.7341   13.734   0.3000  -0.23   0.00   0.00   0.00 
1 1 1    0   12   36 o   12.361   0.4561   11.888   0.4000   0.19   0.00   0.00   0.00 
1 1 1    0   12   37 f   11.559   0.5210   2.2502 -179.1000   0.37   0.00   0.00   0.00 
1 1 1    0   12   38 o   3.7550   1.1259   0.0335   28.500   0.05   0.00   0.00   0.00 
1 1 1    0   12   39 o   0.0000   3.8471   2.1547  177.000  -0.03   0.00   0.00   0.00 
1 1 1    0   13    1 o   30.280   0.2343   21.342   90.700  -0.00  -0.32   0.00   0.00 
1 1 1    0   13    2 o   13.675   0.2230   20.346 -90.7000   0.00   0.07   0.00   0.00 
1 1 1    0   13    3 f   16.840   0.2111   6.1230   86.900  -0.00  -0.38   0.00   0.00 
1 1 1    0   13    4 o   13.236   0.2302   21.692   91.500  -0.00  -0.03   0.00   0.00 
1 1 1    0   13    5 o   70.881   0.4347   68.902 -90.4000  -0.00  -1.32   0.00   0.00 
1 1 1    0   13    6 o   19.419   0.2038   19.217 -91.6000   0.00   0.07   0.00   0.00 
1 1 1    0   13    7 o   59.420   0.3746   44.177   89.500   0.00   0.74   0.00   0.00 
1 1 1    0   13    8 o   41.756   0.2866   35.181   90.600  -0.00  -0.00   0.00   0.00 
1 1 1    0   13    9 o   91.341   0.5317  103.825 -90.2000  -0.00  -1.06   0.00   0.00 
1 1 1    0   13   10 o   60.102   0.3877   63.246 -90.4000  -0.00  -0.22   0.00   0.00 
1 1 1    0   13   11 o   15.518   0.2255   11.557 -88.0000   0.00   0.05   0.00   0.00 
1 1 1    0   13   12 o   16.248   0.2902   22.331 -89.7000   0.00   0.11   0.00   0.00 
1 1 1    0   13   13 o   25.552   0.2423   36.141 -89.7000   0.00   0.13   0.00   0.00 
1 1 1    0   13   14 o   60.092   0.3877   49.585 -89.9000  -0.00  -0.23   0.00   0.00 
1 1 1    0   13   15 o   11.375   0.2662   19.780 -89.7000   0.00   0.00   0.00   0.00 
1 1 1    0   13   16 o   6.6182   0.4714   5.2383 -88.1000   0.00   0.00   0.00   0.00 
1 1 1    0   13   17 o   2.9496   0.9196   1.2992 -85.3000   0.00   0.03   0.00   0.00 
1 1 1    0   13   18 f   0.0000   2.8983   18.629   88.500   0.00   0.00   0.00   0.00 
1 1 1    0   13   19 o   91.543   0.5640   98.066   89.800   0.00   0.14   0.00   0.00 
1 1 1    0   13   20 o   72.888   0.4628   79.907 -89.8000  -0.00  -0.27   0.00   0.00 
1 1 1    0   13   21 o   76.184   0.5040   66.870 -90.2000   0.00   0.47   0.00   0.00 
1 1 1    0   13   22 o   0.0000   3.5071   18.497 -89.4000   0.00   0.00   0.00   0.00 
1 1 1    0   13   23 o   5.7359   0.7429   1.4045   94.400   0.00   0.02   0.00   0.00 
1 1 1    0   13   24 o   36.662   0.3057   29.120   89.300   0.00   0.53   0.00   0.00 
1 1 1    0   13   25 o   14.765   0.3408   0.2601 -108.5000   0.00   0.01   0.00   0.00 
1 1 1    0   13   26 o   33.586   0.3010   31.939   89.700  -0.00  -0.12   0.00   0.00 
1 1 1    0   13   27 o   7.2595   0.5670   9.3757 -90.4000  -0.00  -0.05   0.00   0.00 
1 1 1    0   13   28 o   4.5056   0.8541   4.0381   90.500  -0.00  -0.09   0.00   0.00 
1 1 1    0   13   29 o   8.3066   0.5095   17.629   89.900   0.00   0.01   0.00   0.00 
1 1 1    0   13   30 o   17.604   0.3426   18.114   89.700   0.00   0.49   0.00   0.00 
1 1 1    0   13   31 o   31.529   0.3187   26.590   90.200  -0.00  -0.03   0.00   0.00 
1 1 1    0   13   32 o   12.763   0.4171   0.6619 -98.0000  -0.00  -0.23   0.00   0.00 
1 1 1    0   13   33 o   3.3317   1.0769   3.4693 -88.2000  -0.00  -0.18   0.00   0.00 
1 1 1    0   13   34 o   12.598   0.4518   15.163   90.000  -0.00  -0.01   0.00   0.00 
1 1 1    0   13   35 o   3.4929   1.0988   4.9645 -91.6000   0.00   0.03   0.00   0.00 
1 1 1    0   13   36 o   6.8702   0.7445   5.9131   90.500   0.00   0.08   0.00   0.00 
1 1 1    0   13   37 o   24.306   0.3588   23.657   90.000  -0.00  -0.51   0.00   0.00 
1 1 1    0   13   38 o   22.812   0.3518   20.109   90.100   0.00   0.82   0.00   0.00 
1 1 1    0   14    0 o  124.626   1.0104  119.956 -179.8000  -2.57   0.00   0.00   0.00 
1 1 1    0   14    1 o   30.341   0.2565   37.716  -0.3000   0.16   0.00   0.00   0.00 
1 1 1    0   14    2 o  123.944   0.8195  109.654  -0.1000   1.30   0.00   0.00   0.00 
1 1 1    0   14    3 o   58.546   0.3658   80.206  179.500  -0.69   0.00   0.00   0.00 
1 1 1    0   14    4 o   54.260   0.3534   45.461  179.700   0.18   0.00   0.00   0.00 
1 1 1    0   14    5 o   85.672   0.5088   66.639  -0.1000  -0.36   0.00   0.00   0.00 
1 1 1    0   14    6 o   36.424   0.2630   19.018  -0.9000  -0.06   0.00   0.00   0.00 
1 1 1    0   14    7 f   42.241   0.3545   34.300   0.5000   0.14   0.00   0.00   0.00 
1 1 1    0   14    8 f   11.849   0.2681   11.710  179.900   0.02   0.00   0.00   0.00 
1 1 1    0   14    9 o   55.757   0.4086   51.812  179.500   0.15   0.00   0.00   0.00 
1 1 1    0   14   10 o   16.876   0.2883   25.911  179.000   0.03   0.00   0.00   0.00 
1 1 1    0   14   11 o   88.249   0.5328   80.524   0.0000   0.22   0.00   0.00   0.00 
1 1 1    0   14   12 o   5.2154   0.5830   4.2280 -176.9000  -0.00   0.00   0.00   0.00 
1 1 1    0   14   13 o  104.433   0.6078   67.032  180.000  -0.13   0.00   0.00   0.00 
1 1 1    0   14   14 o   31.195   0.2670   19.926  179.800  -0.06   0.00   0.00   0.00 
1 1 1    0   14   15 o   8.0932   0.3999   1.3506  -4.2000  -0.07   0.00   0.00   0.00 
1 1 1    0   14   16 o   52.410   0.3572   62.250  179.900   0.13   0.00   0.00   0.00 
1 1 1    0   14   17 f   34.940   0.2783   32.080  -0.2000  -0.01   0.00   0.00   0.00 
1 1 1    0   14   18 o   12.892   0.4022   18.038  -0.3000   0.02   0.00   0.00   0.00 
1 1 1    0   14   19 o   36.577   0.3238   26.726  -0.6000   0.21   0.00   0.00   0.00 
1 1 1    0   14   20 o   39.964   0.4173   13.418  -0.0000   0.20   0.00   0.00   0.00 
1 1 1    0   14   21 o   0.0000   3.6878   14.074  -0.6000   0.00   0.00   0.00   0.00 
1 1 1    0   14   22 o   1.5811   1.4457   18.542 -180.0000  -0.04   0.00   0.00   0.00 
1 1 1    0   14   23 o   7.7653   0.6349   3.9417  -0.8000   0.05   0.00   0.00   0.00 
1 1 1    0   14   24 o   5.3944   0.8408   6.4357  -0.6000   0.01   0.00   0.00   0.00 
1 1 1    0   14   25 o   27.190   0.2821   26.294  179.500   0.23   0.00   0.00   0.00 
1 1 1    0   14   26 f   11.296   0.4427   6.8019  178.800   0.01   0.00   0.00   0.00 
1 1 1    0   14   27 o   4.3359   0.8449   7.0380  178.500  -0.08   0.00   0.00   0.00 
1 1 1    0   14   28 o   26.161   0.3265   19.324 -179.6000  -0.43   0.00   0.00   0.00 
1 1 1    0   14   29 f   24.021   0.2940   16.957  179.700  -0.73   0.00   0.00   0.00 
1 1 1    0   14   30 o   4.8990   0.7830   3.4350   0.9000  -0.03   0.00   0.00   0.00 
1 1 1    0   14   31 o   9.3274   0.5125   4.1470   0.0000   0.56   0.00   0.00   0.00 
1 1 1    0   14   32 o   2.8461   1.1768   7.0956  -1.0000   0.07   0.00   0.00   0.00 
1 1 1    0   14   33 o   14.300   0.3879   1.3692  178.300  -0.06   0.00   0.00   0.00 
1 1 1    0   14   34 o   1.5166   1.4780   0.9103 -178.1000  -0.07   0.00   0.00   0.00 
1 1 1    0   14   35 o   16.976   0.3435   19.858  -0.1000  -0.14   0.00   0.00   0.00 
1 1 1    0   14   36 o   9.5079   0.5929   8.4773  -0.0000  -0.14   0.00   0.00   0.00 
1 1 1    0   14   37 f   10.954   0.5554   9.0531  -0.6000   0.39   0.00   0.00   0.00 
1 1 1    0   14   38 f   3.9115   1.1969   5.0563 -179.6000   0.02   0.00   0.00   0.00 
1 1 1    0   15    1 f   80.078   0.4755   64.947   90.300   0.00   0.81   0.00   0.00 
1 1 1    0   15    2 o   37.925   0.2684   36.106   89.500   0.00   0.46   0.00   0.00 
1 1 1    0   15    3 o   3.2863   0.6805   7.5648 -88.7000  -0.00  -0.00   0.00   0.00 
1 1 1    0   15    4 o   47.300   0.3098   32.855 -89.7000  -0.00  -0.37   0.00   0.00 
1 1 1    0   15    5 o   39.729   0.2688   27.818 -91.0000   0.00   0.13   0.00   0.00 
1 1 1    0   15    6 f   18.692   0.2845   17.436 -90.5000  -0.00  -0.08   0.00   0.00 
1 1 1    0   15    7 o   78.161   0.4699   94.259   90.100   0.00   0.84   0.00   0.00 
1 1 1    0   15    8 o   61.855   0.3888   71.420   89.500   0.00   0.19   0.00   0.00 
1 1 1    0   15    9 o  121.580   0.7069   98.169 -90.0000  -0.00  -0.74   0.00   0.00 
1 1 1    0   15   10 o   43.796   0.3151   17.142 -89.3000  -0.00  -0.08   0.00   0.00 
1 1 1    0   15   11 o   27.364   0.2660   26.883 -90.0000  -0.00  -0.02   0.00   0.00 
1 1 1    0   15   12 o   66.438   0.4143   51.351   90.000  -0.00  -0.22   0.00   0.00 
1 1 1    0   15   13 f   12.649   0.2860   8.6744   89.900  -0.00  -0.05   0.00   0.00 
1 1 1    0   15   14 o   31.011   0.2527   27.708 -89.5000  -0.00  -0.09   0.00   0.00 
1 1 1    0   15   15 o   4.9194   0.6025   6.3191 -88.7000  -0.00  -0.03   0.00   0.00 
1 1 1    0   15   16 o   54.544   0.3688   67.224   90.000   0.00   0.13   0.00   0.00 
1 1 1    0   15   17 o   46.824   0.3634   22.344   89.300   0.00   0.02   0.00   0.00 
1 1 1    0   15   18 o   26.150   0.3211   26.143   90.400   0.00   0.05   0.00   0.00 
1 1 1    0   15   19 o   45.310   0.4372   45.461   90.000  -0.00  -0.26   0.00   0.00 
1 1 1    0   15   20 o   54.140   0.4088   37.816   90.000  -0.00  -0.19   0.00   0.00 
1 1 1    0   15   21 o   94.385   0.5896  103.344 -90.0000  -0.00  -0.42   0.00   0.00 
1 1 1    0   15   22 o   8.0747   0.5819   17.856 -91.6000  -0.00  -0.06   0.00   0.00 
1 1 1    0   15   23 o   70.380   0.4700   67.125   90.100   0.00   0.02   0.00   0.00 
1 1 1    0   15   24 f   42.602   0.3515   45.911   89.600   0.00   0.86   0.00   0.00 
1 1 1    0   15   25 o   0.0000   3.0000   5.8783   91.400  -0.00  -0.01   0.00   0.00 
1 1 1    0   15   26 o   29.509   0.2869   12.904   92.000  -0.00  -0.40   0.00   0.00 
1 1 1    0   15   27 o   8.9331   0.4826   13.070   90.100  -0.00  -0.01   0.00   0.00 
1 1 1    0   15   28 o   25.724   0.3073   21.884   89.900  -0.00  -0.31   0.00   0.00 
1 1 1    0   15   29 o   14.741   0.3478   13.878   89.700   0.00   0.43   0.00   0.00 
1 1 1    0   15   30 o   18.322   0.3191   14.846   89.900   0.00   0.82   0.00   0.00 
1 1 1    0   15   31 o   19.957   0.3278   23.625   90.100   0.00   0.38   0.00   0.00 
1 1 1    0   15   32 o   8.5440   0.5745   7.0782 -90.5000  -0.00  -0.07   0.00   0.00 
1 1 1    0   15   33 o   5.7619   0.7672   11.133   89.700   0.00   0.03   0.00   0.00 
1 1 1    0   15   34 o   7.4498   0.6856   1.4455   88.500  -0.00  -0.03   0.00   0.00 
1 1 1    0   15   35 o   7.4229   0.6708   4.3614   90.200   0.00   0.13   0.00   0.00 
1 1 1    0   15   36 o   4.1593   1.0918   2.9303 -90.5000  -0.00  -0.06   0.00   0.00 
1 1 1    0   15   37 o   9.7211   0.6495   4.9354   89.300   0.00   0.03   0.00   0.00 
1 1 1    0   16    0 o   30.950   0.3293   0.9242  160.400  -0.20   0.00   0.00   0.00 
1 1 1    0   16    1 o   77.734   0.4578   59.469   0.1000   0.77   0.00   0.00   0.00 
1 1 1    0   16    2 o   95.108   0.5509   98.304  -0.0000   1.39   0.00   0.00   0.00 
1 1 1    0   16    3 f   4.7645   0.6258   5.1837 -175.8000   0.00   0.00   0.00   0.00 
1 1 1    0   16    4 o   5.0990   0.5857   8.9519   1.3000   0.02   0.00   0.00   0.00 
1 1 1    0   16    5 f  138.977   0.8325  124.580   0.1000   1.42   0.00   0.00   0.00 
1 1 1    0   16    6 o   61.209   0.3969   64.257  179.800  -0.35   0.00   0.00   0.00 
1 1 1    0   16    7 o   79.804   0.4653   92.877  -0.1000   0.25   0.00   0.00   0.00 
1 1 1    0   16    8 o   39.747   0.2773   47.774  179.900  -0.06   0.00   0.00   0.00 
1 1 1    0   16    9 f   52.611   0.3437   32.112  179.600  -0.06   0.00   0.00   0.00 
1 1 1    0   16   10 o   18.091   0.2964   8.3626 -178.4000   0.06   0.00   0.00   0.00 
1 1 1    0   16   11 o   53.535   0.3609   33.092   0.4000   0.27   0.00   0.00   0.00 
1 1 1    0   16   12 o   36.598   0.2806   25.324  -0.0000   0.13   0.00   0.00   0.00 
1 1 1    0   16   13 o   17.346   0.2528   33.692   0.1000   0.13   0.00   0.00   0.00 
1 1 1    0   16   14 o   39.005   0.2888   13.007  -0.3000  -0.32   0.00   0.00   0.00 
1 1 1    0   16   15 o   0.0000   3.0496   7.2815   1.4000   0.00   0.00   0.00   0.00 
1 1 1    0   16   16 o   43.481   0.3479   18.052  -0.3000  -0.10   0.00   0.00   0.00 
1 1 1    0   16   17 o   11.415   0.5430   4.6710   0.4000   0.02   0.00   0.00   0.00 
1 1 1    0   16   18 o   29.345   0.5354   6.3441 -177.9000  -0.14   0.00   0.00   0.00 
1 1 1    0   16   19 o   0.0000   3.6056   4.3838  -2.4000   0.00   0.00   0.00   0.00 
1 1 1    0   16   20 o   22.095   0.3585   14.313  178.700  -0.01   0.00   0.00   0.00 
1 1 1    0   16   21 o   68.115   0.4593   67.928 -180.0000  -1.87   0.00   0.00   0.00 
1 1 1    0   16   22 o   0.0000   3.0000   10.646 -179.7000  -0.02   0.00   0.00   0.00 
1 1 1    0   16   23 o   6.7231   0.5925   2.5538  -3.1000  -0.05   0.00   0.00   0.00 
1 1 1    0   16   24 o   8.4735   0.5216   0.6290   14.900   0.07   0.00   0.00   0.00 
1 1 1    0   16   25 o   40.856   0.3254   43.452  179.900   0.31   0.00   0.00   0.00 
1 1 1    0   16   26 o   2.0000   1.1487   1.4980   3.5000   0.07   0.00   0.00   0.00 
1 1 1    0   16   27 o   6.5879   0.6530   4.5815  -0.2000  -0.14   0.00   0.00   0.00 
1 1 1    0   16   28 f   4.8785   0.8595   0.8386 -175.8000  -0.10   0.00   0.00   0.00 
1 1 1    0   16   29 o   6.9570   0.5878   8.0656 -179.8000  -0.11   0.00   0.00   0.00 
1 1 1    0   16   30 o   20.438   0.3251   20.351 -179.9000  -0.35   0.00   0.00   0.00 
1 1 1    0   16   31 f   6.5727   0.7347   0.1900   1.2000   0.15   0.00   0.00   0.00 
1 1 1    0   16   32 o   17.556   0.3435   20.164  -0.1000   0.63   0.00   0.00   0.00 
1 1 1    0   16   33 o   11.777   0.4535   8.5548  -0.6000  -0.51   0.00   0.00   0.00 
1 1 1    0   16   34 o   17.821   0.3925   21.093  -0.4000   0.17   0.00   0.00   0.00 
1 1 1    0   16   35 o   5.7533   0.8995   2.1708  -0.1000  -0.08   0.00   0.00   0.00 
1 1 1    0   16   36 o   9.9398   0.6236   6.3350 -179.1000   0.03   0.00   0.00   0.00 
1 1 1    0   16   37 o   9.0774   0.6750   5.2720  -0.6000   0.26   0.00   0.00   0.00 
1 1 1    0   17    1 o   70.750   0.4222   67.352   89.900   0.00   0.42   0.00   0.00 
1 1 1    0   17    2 o   87.416   0.5157  111.352   90.100   0.00   0.57   0.00   0.00 
1 1 1    0   17    3 o   38.582   0.3340   26.371   89.900  -0.00  -0.19   0.00   0.00 
1 1 1    0   17    4 o   98.341   0.5647   80.363 -90.2000  -0.00  -0.70   0.00   0.00 
1 1 1    0   17    5 o   28.822   0.2613   42.732 -89.8000   0.00   0.08   0.00   0.00 
1 1 1    0   17    6 o   18.719   0.2660   41.529 -90.2000  -0.00  -0.12   0.00   0.00 
1 1 1    0   17    7 o   11.576   0.3763   20.413   89.800   0.00   0.01   0.00   0.00 
1 1 1    0   17    8 o   91.607   0.5469   78.041   90.100   0.00   0.93   0.00   0.00 
1 1 1    0   17    9 o   6.0663   0.5907   12.104 -91.9000  -0.00  -0.03   0.00   0.00 
1 1 1    0   17   10 o   30.087   0.3223   39.293 -90.0000   0.00   0.03   0.00   0.00 
1 1 1    0   17   11 o   0.0000   2.7203   13.367 -91.4000   0.00   0.01   0.00   0.00 
1 1 1    0   17   12 f   0.0000   3.0822   17.480   90.200   0.00   0.00   0.00   0.00 
1 1 1    0   17   13 o   0.0000   3.2558   8.4864   90.400   0.00   0.00   0.00   0.00 
1 1 1    0   17   14 f   13.576   0.3552   3.7707 -91.7000   0.00   0.02   0.00   0.00 
1 1 1    0   17   15 o   9.1049   0.5578   20.708 -89.5000  -0.00  -0.03   0.00   0.00 
1 1 1    0   17   16 o   41.100   0.4179   57.408   90.100  -0.00  -0.01   0.00   0.00 
1 1 1    0   17   17 o   1.8708   1.6840   2.2032   97.300  -0.00  -0.02   0.00   0.00 
1 1 1    0   17   18 o   13.134   0.4843   4.2614   87.600   0.00   0.02   0.00   0.00 
1 1 1    0   17   19 o   8.4558   0.5120   3.7303   86.700   0.00   0.01   0.00   0.00 
1 1 1    0   17   20 o   27.572   0.4056   21.667   90.300  -0.00  -0.06   0.00   0.00 
1 1 1    0   17   21 f   1.4491   1.3309   30.671 -89.4000  -0.00  -0.03   0.00   0.00 
1 1 1    0   17   22 o   21.927   0.3147   3.8852 -90.9000   0.00   0.24   0.00   0.00 
1 1 1    0   17   23 o   35.529   0.3553   26.139   90.400   0.00   0.20   0.00   0.00 
1 1 1    0   17   24 o   5.4498   0.6803   17.409   89.000   0.00   0.12   0.00   0.00 
1 1 1    0   17   25 o   23.478   0.3027   23.787 -89.7000   0.00   0.06   0.00   0.00 
1 1 1    0   17   26 f   14.146   0.3785   11.542 -89.4000  -0.00  -0.20   0.00   0.00 
1 1 1    0   17   27 o   5.4681   0.7913   7.9407 -89.8000  -0.00  -0.05   0.00   0.00 
1 1 1    0   17   28 o   11.975   0.4465   13.945   89.900  -0.00  -0.20   0.00   0.00 
1 1 1    0   17   29 o   0.3162   1.0835   4.4197 -89.2000  -0.00  -0.03   0.00   0.00 
1 1 1    0   17   30 o   2.8810   1.1117   0.1471 -45.9000   0.00   0.07   0.00   0.00 
1 1 1    0   17   31 o   2.8284   1.1716   9.8887 -89.8000  -0.00  -0.11   0.00   0.00 
1 1 1    0   17   32 o   0.0000   3.3466   13.043 -89.8000   0.00   0.01   0.00   0.00 
1 1 1    0   17   33 o   3.4785   1.0689   4.5347   90.200   0.00   0.14   0.00   0.00 
1 1 1    0   17   34 f   2.5100   1.3779   6.7254   89.800  -0.00  -0.05   0.00   0.00 
1 1 1    0   17   35 o   14.478   0.4292   9.0573   90.600  -0.00  -0.02   0.00   0.00 
1 1 1    0   17   36 o   2.7203   1.4310   3.9550 -91.1000  -0.00  -0.01   0.00   0.00 
1 1 1    0   18    0 o   74.381   0.6272   88.927  180.000  -0.48   0.00   0.00   0.00 
1 1 1    0   18    1 f   69.177   0.4331   85.146  -0.1000   0.28   0.00   0.00   0.00 
1 1 1    0   18    2 o   57.533   0.3816   71.825  -0.2000   0.01   0.00   0.00   0.00 
1 1 1    0   18    3 o  109.322   0.6167  120.400  180.000  -0.93   0.00   0.00   0.00 
1 1 1    0   18    4 o   11.428   0.3439   0.4086 -177.2000   0.03   0.00   0.00   0.00 
1 1 1    0   18    5 o   70.724   0.4335   73.532 -179.9000  -0.04   0.00   0.00   0.00 
1 1 1    0   18    6 o   10.936   0.3883   0.1072   51.200  -0.04   0.00   0.00   0.00 
1 1 1    0   18    7 o   20.869   0.2556   29.172 -179.5000  -0.00   0.00   0.00   0.00 
1 1 1    0   18    8 o   53.969   0.3507   58.042   0.2000  -0.04   0.00   0.00   0.00 
1 1 1    0   18    9 o   41.263   0.2900   49.390 -179.9000  -0.27   0.00   0.00   0.00 
1 1 1    0   18   10 o   26.163   0.3377   23.399   0.7000   0.05   0.00   0.00   0.00 
1 1 1    0   18   11 o   43.876   0.3269   30.856 -179.8000  -0.16   0.00   0.00   0.00 
1 1 1    0   18   12 o   41.432   0.3138   43.204  -0.2000  -0.03   0.00   0.00   0.00 
1 1 1    0   18   13 o   24.243   0.3095   3.5372   4.6000   0.12   0.00   0.00   0.00 
1 1 1    0   18   14 o   8.7750   0.9186   23.554  179.400  -0.01   0.00   0.00   0.00 
1 1 1    0   18   15 o   36.981   0.4369   45.192  179.900  -0.19   0.00   0.00   0.00 
1 1 1    0   18   16 o   0.4472   1.3784   2.4222  -2.2000   0.01   0.00   0.00   0.00 
1 1 1    0   18   17 o   25.122   0.3145   28.050  179.600  -0.28   0.00   0.00   0.00 
1 1 1    0   18   18 o   76.973   0.4957   62.422 -180.0000   0.69   0.00   0.00   0.00 
1 1 1    0   18   19 o   19.774   0.3062   20.321  -0.3000   0.45   0.00   0.00   0.00 
1 1 1    0   18   20 o   36.947   0.3260   32.063  -0.5000   0.46   0.00   0.00   0.00 
1 1 1    0   18   21 o   8.0312   0.4974   18.213  178.400  -0.04   0.00   0.00   0.00 
1 1 1    0   18   22 o   18.336   0.3110   17.499  179.400  -0.20   0.00   0.00   0.00 
1 1 1    0   18   23 o   64.092   0.4262   65.708   0.1000   0.94   0.00   0.00   0.00 
1 1 1    0   18   24 o   26.876   0.2817   33.929 -179.8000  -0.14   0.00   0.00   0.00 
1 1 1    0   18   25 o   40.506   0.3464   31.971 -180.0000   0.56   0.00   0.00   0.00 
1 1 1    0   18   26 o   0.0000   3.0984   9.2000 -179.9000   0.07   0.00   0.00   0.00 
1 1 1    0   18   27 o   24.601   0.3012   14.883  179.700   0.18   0.00   0.00   0.00 
1 1 1    0   18   28 o   11.615   0.4673   10.232  -0.2000  -0.04   0.00   0.00   0.00 
1 1 1    0   18   29 o   2.0976   1.2635   2.1490  179.900   0.02   0.00   0.00   0.00 
1 1 1    0   18   30 o   9.2682   0.5251   6.5060   0.2000  -0.22   0.00   0.00   0.00 
1 1 1    0   18   31 o   6.2129   0.7427   2.7935  -1.9000  -0.05   0.00   0.00   0.00 
1 1 1    0   18   32 o   17.390   0.3770   18.857  -0.2000   0.75   0.00   0.00   0.00 
1 1 1    0   18   33 o   9.9298   0.5299   7.4594  -0.6000  -0.12   0.00   0.00   0.00 
1 1 1    0   18   34 o   18.477   0.3843   25.577   0.1000  -0.29   0.00   0.00   0.00 
1 1 1    0   18   35 o   4.3359   1.2535   2.7668  -2.3000   0.16   0.00   0.00   0.00 
1 1 1    0   19    1 o   10.569   0.4358   13.916   90.000  -0.00  -0.05   0.00   0.00 
1 1 1    0   19    2 o   74.200   0.4587   72.343   90.200   0.00   1.01   0.00   0.00 
1 1 1    0   19    3 o   48.691   0.3689   51.237   89.700  -0.00  -0.56   0.00   0.00 
1 1 1    0   19    4 o   34.369   0.2842   21.296   89.500   0.00   0.14   0.00   0.00 
1 1 1    0   19    5 o   82.188   0.4959   71.321   90.300   0.00   0.66   0.00   0.00 
1 1 1    0   19    6 f   34.493   0.3217   5.1069   94.500  -0.00  -0.03   0.00   0.00 
1 1 1    0   19    7 o   55.860   0.3699   81.530   90.000  -0.00  -0.06   0.00   0.00 
1 1 1    0   19    8 o   61.942   0.3898   48.097 -89.7000   0.00   0.62   0.00   0.00 
1 1 1    0   19    9 o   27.375   0.3356   32.822   90.200  -0.00  -0.23   0.00   0.00 
1 1 1    0   19   10 o   28.150   0.3127   41.638 -90.6000  -0.00  -0.07   0.00   0.00 
1 1 1    0   19   11 o   26.989   0.3800   37.074   90.200   0.00   0.25   0.00   0.00 
1 1 1    0   19   12 o   46.230   0.4053   55.027 -89.4000   0.00   0.00   0.00   0.00 
1 1 1    0   19   13 f   22.594   0.5423   8.5774   91.600  -0.00  -0.01   0.00   0.00 
1 1 1    0   19   14 o   36.337   0.3435   18.530 -90.0000   0.00   0.51   0.00   0.00 
1 1 1    0   19   15 o   23.085   0.3373   39.859   89.700  -0.00  -0.05   0.00   0.00 
1 1 1    0   19   16 o   22.488   0.3330   9.8431   88.600   0.00   0.07   0.00   0.00 
1 1 1    0   19   17 o   81.089   0.5348   81.903   89.900   0.00   0.78   0.00   0.00 
1 1 1    0   19   18 o   41.005   0.3242   37.557   90.000   0.00   0.17   0.00   0.00 
1 1 1    0   19   19 o   90.724   0.5718   94.791   90.100   0.00   3.25   0.00   0.00 
1 1 1    0   19   20 o   42.063   0.3606   35.026 -89.5000  -0.00  -0.92   0.00   0.00 
1 1 1    0   19   21 f   8.0747   0.6034   3.3206   87.800  -0.00  -0.09   0.00   0.00 
1 1 1    0   19   22 o   29.666   0.3251   26.981 -89.7000  -0.00  -0.30   0.00   0.00 
1 1 1    0   19   23 o   13.572   0.3728   11.011 -89.7000  -0.00  -0.06   0.00   0.00 
1 1 1    0   19   24 o   28.908   0.3080   41.902 -90.2000  -0.00  -0.56   0.00   0.00 
1 1 1    0   19   25 o   4.1231   0.8244   9.2683 -89.7000   0.00   0.06   0.00   0.00 
1 1 1    0   19   26 o   9.1978   0.5238   11.298 -89.9000   0.00   0.03   0.00   0.00 
1 1 1    0   19   27 o   18.997   0.3234   19.033 -89.9000   0.00   0.07   0.00   0.00 
1 1 1    0   19   28 o   7.9057   0.6036   7.5695   90.100  -0.00  -0.08   0.00   0.00 
1 1 1    0   19   29 o   14.869   0.3930   10.298 -89.9000  -0.00  -0.13   0.00   0.00 
1 1 1    0   19   30 f   6.7971   0.6547   7.9350 -90.8000  -0.00  -0.05   0.00   0.00 
1 1 1    0   19   31 o   13.457   0.4387   6.3949 -88.9000  -0.00  -0.49   0.00   0.00 
1 1 1    0   19   32 o   8.3487   0.6586   11.477 -90.4000   0.00   0.05   0.00   0.00 
1 1 1    0   19   33 o   2.3022   1.4707   3.3913 -90.7000   0.00   0.16   0.00   0.00 
1 1 1    0   19   34 o   9.3005   0.5998   2.1410 -90.9000  -0.00  -0.55   0.00   0.00 
1 1 1    0   20    0 o   22.933   0.5284   14.683   0.2000   0.06   0.00   0.00   0.00 
1 1 1    0   20    1 o   11.870   0.5239   17.847 -178.2000   0.01   0.00   0.00   0.00 
1 1 1    0   20    2 o   64.098   0.4093   59.947  -0.8000  -0.42   0.00   0.00   0.00 
1 1 1    0   20    3 o   30.277   0.3300   41.585  179.800  -0.18   0.00   0.00   0.00 
1 1 1    0   20    4 o   35.868   0.3246   25.439  179.400  -0.06   0.00   0.00   0.00 
1 1 1    0   20    5 f   37.781   0.3228   62.357  179.800   0.09   0.00   0.00   0.00 
1 1 1    0   20    6 o   16.900   0.3846   3.2375 -175.5000  -0.01   0.00   0.00   0.00 
1 1 1    0   20    7 o   29.246   0.3480   23.911   0.1000   0.12   0.00   0.00   0.00 
1 1 1    0   20    8 o   26.881   0.3579   34.310   0.5000   0.04   0.00   0.00   0.00 
1 1 1    0   20    9 f   18.992   0.5573   23.899 -179.9000  -0.14   0.00   0.00   0.00 
1 1 1    0   20   10 o   75.604   0.5404   71.667   0.1000   0.01   0.00   0.00   0.00 
1 1 1    0   20   11 o   44.939   0.4145   20.372   0.8000  -0.46   0.00   0.00   0.00 
1 1 1    0   20   12 o   0.0000   4.4272   3.8686  173.000   0.00   0.00   0.00   0.00 
1 1 1    0   20   13 o   32.220   0.3074   27.147   0.3000   0.45   0.00   0.00   0.00 
1 1 1    0   20   14 o   42.832   0.3405   15.148  178.400   0.59   0.00   0.00   0.00 
1 1 1    0   20   15 o   61.149   0.4287   46.858 -179.8000  -0.74   0.00   0.00   0.00 
1 1 1    0   20   16 o   0.0000   3.1145   1.8315 -172.7000  -0.02   0.00   0.00   0.00 
1 1 1    0   20   17 o   36.727   0.3346   53.106  179.900  -0.82   0.00   0.00   0.00 
1 1 1    0   20   18 o   4.0249   0.8791   2.4360   9.0000   0.01   0.00   0.00   0.00 
1 1 1    0   20   19 f   19.962   0.3616   4.3563 -178.1000   0.47   0.00   0.00   0.00 
1 1 1    0   20   20 o   54.478   0.4072   59.725   0.0000   1.12   0.00   0.00   0.00 
1 1 1    0   20   21 o   0.0000   3.1781   3.5989 -178.6000  -0.01   0.00   0.00   0.00 
1 1 1    0   20   22 o   8.0994   0.5319   3.3287  -0.9000  -0.01   0.00   0.00   0.00 
1 1 1    0   20   23 o   16.486   0.4054   10.769  -0.1000  -0.15   0.00   0.00   0.00 
1 1 1    0   20   24 o   0.0000   3.2558   0.4794 -12.5000  -0.03   0.00   0.00   0.00 
1 1 1    0   20   25 f   3.1305   1.1192   7.0965 -179.9000  -0.07   0.00   0.00   0.00 
1 1 1    0   20   26 o   7.5033   0.5798   12.959  -0.3000   0.13   0.00   0.00   0.00 
1 1 1    0   20   27 o   6.6633   0.6407   9.5174   0.4000   0.26   0.00   0.00   0.00 
1 1 1    0   20   28 o   1.7029   1.3206   2.4788  -0.4000   0.00   0.00   0.00   0.00 
1 1 1    0   20   29 o   5.0794   0.8850   2.2214  -2.5000   0.08   0.00   0.00   0.00 
1 1 1    0   20   30 o   11.718   0.4832   13.699  -0.5000  -0.70   0.00   0.00   0.00 
1 1 1    0   20   31 o   6.2048   0.8130   2.0091  179.500  -0.02   0.00   0.00   0.00 
1 1 1    0   20   32 o   0.0000   3.2863   0.9056 -173.5000   0.08   0.00   0.00   0.00 
1 1 1    0   20   33 o   9.9599   0.6887   10.773  -0.0000   0.03   0.00   0.00   0.00 
1 1 1    0   20   34 o   9.8590   0.6815   8.3568   0.1000   0.01   0.00   0.00   0.00 
1 1 1    0   21    1 o   16.416   0.4878   0.3696 -119.9000  -0.00  -0.00   0.00   0.00 
1 1 1    0   21    2 o  106.898   0.6351   92.426 -90.2000  -0.00  -0.67   0.00   0.00 
1 1 1    0   21    3 o   0.0000   3.7550   3.3760   87.300   0.00   0.00   0.00   0.00 
1 1 1    0   21    4 o   38.516   0.3957   35.598 -90.0000  -0.00  -0.36   0.00   0.00 
1 1 1    0   21    5 o   22.641   0.6523   2.1201   92.800   0.00   0.12   0.00   0.00 
1 1 1    0   21    6 o   33.127   0.5668   13.847   91.200  -0.00  -0.03   0.00   0.00 
1 1 1    0   21    7 o   32.778   0.4810   11.716   90.900  -0.00  -0.26   0.00   0.00 
1 1 1    0   21    8 o   22.417   0.5888   14.540   90.800   0.00   0.05   0.00   0.00 
1 1 1    0   21    9 o   37.646   0.3318   15.270   89.500  -0.00  -0.41   0.00   0.00 
1 1 1    0   21   10 o   0.0000   3.3912   14.250 -91.1000  -0.00  -0.01   0.00   0.00 
1 1 1    0   21   11 o   22.086   0.3279   34.354   89.600   0.00   0.40   0.00   0.00 
1 1 1    0   21   12 o   70.505   0.4909   62.131 -89.9000  -0.00  -0.20   0.00   0.00 
1 1 1    0   21   13 o   15.811   0.3586   14.946 -88.9000  -0.00  -0.16   0.00   0.00 
1 1 1    0   21   14 o   36.569   0.3158   27.470   90.500  -0.00  -0.05   0.00   0.00 
1 1 1    0   21   15 o   14.886   0.3606   32.113 -90.1000  -0.00  -0.31   0.00   0.00 
1 1 1    0   21   16 o   4.9092   0.8848   0.1056 -49.9000  -0.00  -0.15   0.00   0.00 
1 1 1    0   21   17 o   3.1623   1.0549   0.8666   75.400   0.00   0.02   0.00   0.00 
1 1 1    0   21   18 o   0.0000   2.9496   12.167   89.500   0.00   0.01   0.00   0.00 
1 1 1    0   21   19 o   14.349   0.3834   19.134   89.300   0.00   0.13   0.00   0.00 
1 1 1    0   21   20 o   8.1302   0.6051   23.772 -90.0000   0.00   0.20   0.00   0.00 
1 1 1    0   21   21 o   13.989   0.3961   8.4322 -90.5000  -0.00  -0.40   0.00   0.00 
1 1 1    0   21   22 o   30.895   0.3077   24.694   89.800   0.00   0.87   0.00   0.00 
1 1 1    0   21   23 o   24.745   0.3231   26.628 -90.3000   0.00   0.02   0.00   0.00 
1 1 1    0   21   24 o   12.442   0.4309   19.940 -89.8000  -0.00  -0.22   0.00   0.00 
1 1 1    0   21   25 f   22.788   0.3394   18.720   89.900   0.00   0.77   0.00   0.00 
1 1 1    0   21   26 o   4.2779   1.0444   2.4694 -87.4000   0.00   0.13   0.00   0.00 
1 1 1    0   21   27 o   22.287   0.3359   19.280   90.000   0.00   0.20   0.00   0.00 
1 1 1    0   21   28 o   7.0781   0.6919   0.8720 -89.7000  -0.00  -0.11   0.00   0.00 
1 1 1    0   21   29 o   18.649   0.3293   7.5448   90.400   0.00   0.03   0.00   0.00 
1 1 1    0   21   30 o   10.315   0.6121   7.9607 -89.3000  -0.00  -0.15   0.00   0.00 
1 1 1    0   21   31 o   4.4385   1.0714   4.6476   89.100  -0.00  -0.04   0.00   0.00 
1 1 1    0   21   32 o   7.9436   0.6764   5.9946   89.700   0.00   0.46   0.00   0.00 
1 1 1    0   21   33 o   15.684   0.4582   15.004   89.700   0.00   1.09   0.00   0.00 
1 1 1    0   22    0 o  124.654   2.1115  101.757  -0.0000   2.01   0.00   0.00   0.00 
1 1 1    0   22    1 f   19.675   0.6610   18.776  179.500  -0.08   0.00   0.00   0.00 
1 1 1    0   22    2 o   0.0000   4.5826   12.962   0.4000  -0.00   0.00   0.00   0.00 
1 1 1    0   22    3 o   21.333   0.4633   21.593  179.900  -0.04   0.00   0.00   0.00 
1 1 1    0   22    4 o  101.016   0.7814   87.109  179.800   0.14   0.00   0.00   0.00 
1 1 1    0   22    5 f   0.0000   3.7014   2.3479   3.2000   0.00   0.00   0.00   0.00 
1 1 1    0   22    6 o   16.601   0.4827   5.6953 -179.5000   0.10   0.00   0.00   0.00 
1 1 1    0   22    7 o   29.491   0.3419   40.219  -0.0000   0.25   0.00   0.00   0.00 
1 1 1    0   22    8 o   37.160   0.3360   27.320   0.3000   0.19   0.00   0.00   0.00 
1 1 1    0   22    9 o   30.890   0.3045   15.359   1.1000  -0.22   0.00   0.00   0.00 
1 1 1    0   22   10 o   51.020   0.3919   51.213   0.0000  -0.38   0.00   0.00   0.00 
1 1 1    0   22   11 f   0.0000   3.3764   14.235   0.6000  -0.00   0.00   0.00   0.00 
1 1 1    0   22   12 o   59.288   0.4220   48.738 -179.9000  -0.81   0.00   0.00   0.00 
1 1 1    0   22   13 o   26.771   0.3156   24.306  -0.1000   0.99   0.00   0.00   0.00 
1 1 1    0   22   14 o   7.6681   0.5522   2.3869 -176.2000   0.16   0.00   0.00   0.00 
1 1 1    0   22   15 o   9.6902   0.4342   10.802  179.100  -0.15   0.00   0.00   0.00 
1 1 1    0   22   16 o   1.4142   1.3104   13.831 -179.1000  -0.08   0.00   0.00   0.00 
1 1 1    0   22   17 o   20.586   0.3251   22.431  -0.8000  -0.29   0.00   0.00   0.00 
1 1 1    0   22   18 o   14.262   0.3656   7.9568  179.500  -0.51   0.00   0.00   0.00 
1 1 1    0   22   19 o   8.4261   0.5451   12.039   0.1000   0.17   0.00   0.00   0.00 
1 1 1    0   22   20 o   22.041   0.3241   24.463  -0.4000  -0.15   0.00   0.00   0.00 
1 1 1    0   22   21 f   18.287   0.3461   18.021  -0.1000  -0.11   0.00   0.00   0.00 
1 1 1    0   22   22 o   10.305   0.5212   4.6850  178.700   0.02   0.00   0.00   0.00 
1 1 1    0   22   23 o   21.140   0.3467   18.949 -179.7000  -0.36   0.00   0.00   0.00 
1 1 1    0   22   24 o   0.0000   3.4641   4.3553  179.500  -0.11   0.00   0.00   0.00 
1 1 1    0   22   25 o   1.7607   1.4501   3.6225   1.1000  -0.06   0.00   0.00   0.00 
1 1 1    0   22   26 o   11.389   0.5241   6.8421  -0.2000   0.14   0.00   0.00   0.00 
1 1 1    0   22   27 o   6.5651   0.7537   6.4044   0.7000   0.21   0.00   0.00   0.00 
1 1 1    0   22   28 o   7.8358   0.7588   5.2723   1.0000   0.28   0.00   0.00   0.00 
1 1 1    0   22   29 o   7.0711   0.7961   0.5322  171.300  -0.21   0.00   0.00   0.00 
1 1 1    0   22   30 o   11.675   0.4690   11.053  -0.2000  -0.28   0.00   0.00   0.00 
1 1 1    0   22   31 o   8.6545   0.6933   5.4682 -178.5000  -0.26   0.00   0.00   0.00 
1 1 1    0   22   32 o   0.0000   3.7947   8.5008  179.500   0.06   0.00   0.00   0.00 
1 1 1    0   23    1 o   11.580   0.4924   14.530 -90.8000  -0.00  -0.06   0.00   0.00 
1 1 1    0   23    2 o   51.243   0.3816   51.793 -89.7000   0.00   0.16   0.00   0.00 
1 1 1    0   23    3 o   14.639   0.4408   11.828   89.100   0.00   0.18   0.00   0.00 
1 1 1    0   23    4 o   28.169   0.3385   8.0175 -90.5000  -0.00  -0.07   0.00   0.00 
1 1 1    0   23    5 o   21.895   0.3329   21.543 -90.2000   0.00   0.02   0.00   0.00 
1 1 1    0   23    6 o   49.818   0.3736   36.786   90.200   0.00   0.36   0.00   0.00 
1 1 1    0   23    7 o   9.4499   0.6519   20.980   90.900  -0.00  -0.06   0.00   0.00 
1 1 1    0   23    8 o   56.028   0.4049   28.182 -88.7000  -0.00  -1.07   0.00   0.00 
1 1 1    0   23    9 o   56.690   0.4237   58.539 -89.9000  -0.00  -0.19   0.00   0.00 
1 1 1    0   23   10 f   26.245   0.3255   20.895 -89.6000  -0.00  -0.54   0.00   0.00 
1 1 1    0   23   11 o   35.194   0.3377   40.570   90.000   0.00   1.10   0.00   0.00 
1 1 1    0   23   12 o   0.0000   3.3166   21.015 -89.7000  -0.00  -0.03   0.00   0.00 
1 1 1    0   23   13 o   9.5760   0.6076   10.629 -89.9000  -0.00  -0.15   0.00   0.00 
1 1 1    0   23   14 o   14.114   0.3961   23.176   90.700   0.00   0.33   0.00   0.00 
1 1 1    0   23   15 f   7.4431   0.6068   15.552   89.300  -0.00  -0.14   0.00   0.00 
1 1 1    0   23   16 o   22.663   0.3176   21.308   89.700  -0.00  -0.33   0.00   0.00 
1 1 1    0   23   17 o   10.909   0.4824   8.2310   89.700   0.00   0.32   0.00   0.00 
1 1 1    0   23   18 o   11.891   0.4416   12.450 -90.5000  -0.00  -0.09   0.00   0.00 
1 1 1    0   23   19 f   11.162   0.4929   1.3697   86.200  -0.00  -0.14   0.00   0.00 
1 1 1    0   23   20 o   18.382   0.3758   7.3624 -91.0000   0.00   0.37   0.00   0.00 
1 1 1    0   23   21 o   5.7533   0.7479   13.924 -90.4000  -0.00  -0.15   0.00   0.00 
1 1 1    0   23   22 o   22.623   0.3203   22.546   89.900  -0.00  -0.20   0.00   0.00 
1 1 1    0   23   23 o   29.358   0.3351   19.915 -89.6000   0.00   0.29   0.00   0.00 
1 1 1    0   23   24 o   7.7266   0.6541   0.5873  103.800  -0.00  -0.27   0.00   0.00 
1 1 1    0   23   25 o   3.3764   1.1421   2.1144   92.900   0.00   0.02   0.00   0.00 
1 1 1    0   23   26 o   17.487   0.3914   15.494   89.600   0.00   1.31   0.00   0.00 
1 1 1    0   23   27 o   7.3417   0.6997   11.876   89.500  -0.00  -0.25   0.00   0.00 
1 1 1    0   23   28 o   22.432   0.3791   14.889   90.000   0.00   0.94   0.00   0.00 
1 1 1    0   23   29 o   19.910   0.3819   14.905 -90.1000  -0.00  -0.37   0.00   0.00 
1 1 1    0   23   30 o   7.2595   0.8295   0.4186 -90.1000  -0.00  -0.19   0.00   0.00 
1 1 1    0   23   31 o   0.0000   3.6056   9.6814 -89.3000  -0.00  -0.01   0.00   0.00 
1 1 1    0   24    0 o   15.592   0.5000   5.6109   1.8000   0.03   0.00   0.00   0.00 
1 1 1    0   24    1 o   27.770   0.3168   28.869 -179.4000   0.03   0.00   0.00   0.00 
1 1 1    0   24    2 o   33.725   0.3303   36.521 -179.6000  -0.63   0.00   0.00   0.00 
1 1 1    0   24    3 o   1.8166   1.3690   3.4066 -178.6000  -0.00   0.00   0.00   0.00 
1 1 1    0   24    4 o   8.2098   0.5842   21.850  179.700  -0.04   0.00   0.00   0.00 
1 1 1    0   24    5 f   11.679   0.4886   20.026  -0.3000  -0.00   0.00   0.00   0.00 
1 1 1    0   24    6 o   5.8395   0.7925   3.8973  179.700   0.05   0.00   0.00   0.00 
1 1 1    0   24    7 o   13.795   0.3671   4.8808  -4.8000   0.11   0.00   0.00   0.00 
1 1 1    0   24    8 o   26.766   0.3266   23.271  179.800   0.40   0.00   0.00   0.00 
1 1 1    0   24    9 o   27.552   0.3494   18.942 -179.6000  -0.31   0.00   0.00   0.00 
1 1 1    0   24   10 o   14.748   0.3767   9.5077  179.400  -0.11   0.00   0.00   0.00 
1 1 1    0   24   11 o   3.1305   1.2778   2.5872   6.3000  -0.00   0.00   0.00   0.00 
1 1 1    0   24   12 o   16.480   0.3737   17.560  180.000  -0.37   0.00   0.00   0.00 
1 1 1    0   24   13 o   35.515   0.3237   26.224 -179.9000   0.48   0.00   0.00   0.00 
1 1 1    0   24   14 o   14.584   0.4100   1.5540  179.300   0.40   0.00   0.00   0.00 
1 1 1    0   24   15 f   28.850   0.3120   36.335  179.800  -0.10   0.00   0.00   0.00 
1 1 1    0   24   16 o   7.6158   0.6510   0.0975 -168.0000   0.15   0.00   0.00   0.00 
1 1 1    0   24   17 o   40.538   0.3473   46.688  -0.1000   0.25   0.00   0.00   0.00 
1 1 1    0   24   18 o   6.1319   0.7632   2.1180   4.4000   0.05   0.00   0.00   0.00 
1 1 1    0   24   19 o   6.0415   0.6936   7.2522  178.300   0.09   0.00   0.00   0.00 
1 1 1    0   24   20 o   35.880   0.3368   24.307  -0.1000   0.58   0.00   0.00   0.00 
1 1 1    0   24   21 o   8.8882   0.5946   18.193  -0.5000   0.20   0.00   0.00   0.00 
1 1 1    0   24   22 o   8.9387   0.6307   9.7259   0.4000   0.37   0.00   0.00   0.00 
1 1 1    0   24   23 o   26.106   0.3197   29.771  179.700  -0.45   0.00   0.00   0.00 
1 1 1    0   24   24 o   3.2558   1.3157   1.0819  174.900  -0.22   0.00   0.00   0.00 
1 1 1    0   24   25 o   15.047   0.4201   15.140   0.1000   0.07   0.00   0.00   0.00 
1 1 1    0   24   26 o   17.567   0.4440   17.798  179.900  -0.36   0.00   0.00   0.00 
1 1 1    0   24   27 o   11.908   0.5070   5.6561 -178.7000   0.32   0.00   0.00   0.00 
1 1 1    0   24   28 o   5.4037   0.9276   7.2783  -0.2000   0.16   0.00   0.00   0.00 
1 1 1    0   24   29 o   3.6878   1.3959   5.3933   0.2000  -0.03   0.00   0.00   0.00 
1 1 1    0   25    1 o   9.6437   0.5207   8.8642   87.000  -0.00  -0.07   0.00   0.00 
1 1 1    0   25    2 o   6.6483   0.6481   17.602 -90.4000   0.00   0.02   0.00   0.00 
1 1 1    0   25    3 o   17.117   0.3800   14.339 -90.5000   0.00   0.22   0.00   0.00 
1 1 1    0   25    4 o   1.3038   1.3396   14.189 -90.8000  -0.00  -0.00   0.00   0.00 
1 1 1    0   25    5 f   20.097   0.3232   27.644 -89.9000  -0.00  -0.06   0.00   0.00 
1 1 1    0   25    6 o   5.8052   0.7961   0.4052 -178.0000   0.00   0.16   0.00   0.00 
1 1 1    0   25    7 o   36.997   0.3375   44.324   89.900  -0.00  -0.04   0.00   0.00 
1 1 1    0   25    8 o   18.415   0.4064   14.460   90.500   0.00   0.36   0.00   0.00 
1 1 1    0   25    9 o   31.919   0.3318   36.058 -89.7000   0.00   0.13   0.00   0.00 
1 1 1    0   25   10 o   25.373   0.3191   16.830   90.000   0.00   0.72   0.00   0.00 
1 1 1    0   25   11 f   20.349   0.3431   24.651   90.600   0.00   0.01   0.00   0.00 
1 1 1    0   25   12 o   1.7029   1.4981   6.1745   89.900   0.00   0.02   0.00   0.00 
1 1 1    0   25   13 o   3.3764   1.0612   7.1238 -89.2000  -0.00  -0.06   0.00   0.00 
1 1 1    0   25   14 f   24.619   0.3247   29.593   90.100   0.00   1.10   0.00   0.00 
1 1 1    0   25   15 o   17.300   0.3899   16.547   90.300   0.00   0.04   0.00   0.00 
1 1 1    0   25   16 o   3.8601   1.0631   1.6069   87.400  -0.00  -0.12   0.00   0.00 
1 1 1    0   25   17 o   19.235   0.3522   4.3638 -89.4000   0.00   0.57   0.00   0.00 
1 1 1    0   25   18 o   5.4498   0.9419   3.1267   88.700  -0.00  -0.09   0.00   0.00 
1 1 1    0   25   19 o   6.5651   0.7170   0.8154   90.700  -0.00  -0.20   0.00   0.00 
1 1 1    0   25   20 o   22.574   0.3275   19.421   90.200   0.00   0.73   0.00   0.00 
1 1 1    0   25   21 o   8.8769   0.5555   4.6183 -91.3000  -0.00  -0.10   0.00   0.00 
1 1 1    0   25   22 o   3.1781   1.2465   6.7765   89.200  -0.00  -0.06   0.00   0.00 
1 1 1    0   25   23 o   3.0000   1.3532   11.701 -89.0000   0.00   0.08   0.00   0.00 
1 1 1    0   25   24 f   0.0000   3.5777   3.9906 -88.8000  -0.00  -0.15   0.00   0.00 
1 1 1    0   25   25 o   6.4420   0.8262   1.1458   95.000  -0.00  -0.11   0.00   0.00 
1 1 1    0   25   26 o   0.0000   3.6332   5.8989   89.800  -0.00  -0.03   0.00   0.00 
1 1 1    0   25   27 o   12.398   0.4361   14.578   89.400  -0.00  -0.05   0.00   0.00 
1 1 1    0   25   28 o   5.3759   1.1557   8.1474 -89.8000  -0.00  -0.14   0.00   0.00 
1 1 1    0   26    0 o   8.3367   0.7459   6.0729 -177.7000   0.05   0.00   0.00   0.00 
1 1 1    0   26    1 o   13.788   0.4255   31.440  179.400   0.22   0.00   0.00   0.00 
1 1 1    0   26    2 o   5.4037   0.8122   2.4747 -179.4000  -0.07   0.00   0.00   0.00 
1 1 1    0   26    3 o   0.0000   3.1623   4.9034  -2.8000  -0.00   0.00   0.00   0.00 
1 1 1    0   26    4 o   20.847   0.3514   3.0404  178.500  -0.32   0.00   0.00   0.00 
1 1 1    0   26    5 o   12.486   0.4407   0.6199  -3.8000  -0.25   0.00   0.00   0.00 
1 1 1    0   26    6 o   24.152   0.4131   13.102  180.000  -0.69   0.00   0.00   0.00 
1 1 1    0   26    7 o   11.891   0.4024   19.553 -179.9000   0.15   0.00   0.00   0.00 
1 1 1    0   26    8 o   14.849   0.4761   17.122  179.900  -0.03   0.00   0.00   0.00 
1 1 1    0   26    9 o   2.2583   1.3659   9.1303  179.700   0.06   0.00   0.00   0.00 
1 1 1    0   26   10 o   0.0000   3.2249   2.8502   2.5000   0.02   0.00   0.00   0.00 
1 1 1    0   26   11 o   0.0000   3.1781   15.774  -0.2000   0.03   0.00   0.00   0.00 
1 1 1    0   26   12 o   19.118   0.3895   13.570  179.900   0.26   0.00   0.00   0.00 
1 1 1    0   26   13 o   15.537   0.3431   2.0576   0.2000  -0.61   0.00   0.00   0.00 
1 1 1    0   26   14 o   4.4385   1.1487   0.7510  -1.2000   0.15   0.00   0.00   0.00 
1 1 1    0   26   15 o   35.610   0.3380   27.994  179.700   0.50   0.00   0.00   0.00 
1 1 1    0   26   16 o   11.511   0.5270   17.646  180.000   0.19   0.00   0.00   0.00 
1 1 1    0   26   17 o   17.790   0.3608   23.235  -0.2000  -0.16   0.00   0.00   0.00 
1 1 1    0   26   18 o   7.0922   0.6261   8.9861 -179.8000  -0.11   0.00   0.00   0.00 
1 1 1    0   26   19 o   25.851   0.3530   27.450  179.900  -0.88   0.00   0.00   0.00 
1 1 1    0   26   20 f   6.9282   0.7041   6.0818 -179.7000  -0.13   0.00   0.00   0.00 
1 1 1    0   26   21 o   6.0992   0.7728   7.2398  -0.1000   0.18   0.00   0.00   0.00 
1 1 1    0   26   22 o   5.3666   0.9653   14.376  -0.3000   0.49   0.00   0.00   0.00 
1 1 1    0   26   23 o   6.4962   0.8865   14.317  179.800  -0.08   0.00   0.00   0.00 
1 1 1    0   26   24 o   0.0000   3.5777   0.0964  -1.9000   0.01   0.00   0.00   0.00 
1 1 1    0   26   25 o   0.0000   3.7417   1.8306   0.5000   0.01   0.00   0.00   0.00 
1 1 1    0   26   26 o   15.129   0.4802   10.670 -179.5000   0.21   0.00   0.00   0.00 
1 1 1    0   26   27 o   19.355   0.4419   10.569 -179.7000  -0.80   0.00   0.00   0.00 
1 1 1    0   27    1 o   3.6332   1.0837   1.8708 -92.1000  -0.00  -0.01   0.00   0.00 
1 1 1    0   27    2 o   4.8166   0.9469   5.2617 -90.7000  -0.00  -0.08   0.00   0.00 
1 1 1    0   27    3 o   4.8580   1.2246   4.0130 -90.5000  -0.00  -0.03   0.00   0.00 
1 1 1    0   27    4 o   3.0984   1.2985   2.3833   93.600   0.00   0.02   0.00   0.00 
1 1 1    0   27    5 o   3.6469   1.6469   3.1428 -90.8000  -0.00  -0.06   0.00   0.00 
1 1 1    0   27    6 o   24.378   0.4015   23.791 -90.0000  -0.00  -0.26   0.00   0.00 
1 1 1    0   27    7 o   3.1464   1.2674   3.9213   90.300  -0.00  -0.03   0.00   0.00 
1 1 1    0   27    8 o   21.088   0.3590   16.493 -90.2000  -0.00  -0.12   0.00   0.00 
1 1 1    0   27    9 o   2.4698   1.3073   5.9127 -90.0000   0.00   0.11   0.00   0.00 
1 1 1    0   27   10 o   9.5341   0.7016   7.4736 -89.9000  -0.00  -0.13   0.00   0.00 
1 1 1    0   27   11 o   7.2801   0.8496   3.2745   91.200  -0.00  -0.26   0.00   0.00 
1 1 1    0   27   12 o   0.0000   3.4785   0.1345  162.000  -0.00  -0.04   0.00   0.00 
1 1 1    0   27   13 o   2.2583   1.4115   4.5115   89.100  -0.00  -0.00   0.00   0.00 
1 1 1    0   27   14 o   0.9487   1.3612   4.1132   86.800   0.00   0.10   0.00   0.00 
1 1 1    0   27   15 o   6.9282   0.7976   1.5438   88.200   0.00   0.20   0.00   0.00 
1 1 1    0   27   16 f   18.934   0.3931   16.872 -90.0000  -0.00  -0.71   0.00   0.00 
1 1 1    0   27   17 o   7.3824   0.7635   6.8133 -89.8000  -0.00  -0.08   0.00   0.00 
1 1 1    0   27   18 o   8.3187   0.6400   6.0078 -90.0000   0.00   0.23   0.00   0.00 
1 1 1    0   27   19 o   5.5588   0.8893   4.3764 -89.8000  -0.00  -0.11   0.00   0.00 
1 1 1    0   27   20 o   10.574   0.5988   13.079   89.600   0.00   0.28   0.00   0.00 
1 1 1    0   27   21 f   0.0000   3.7148   5.2550   90.500   0.00   0.10   0.00   0.00 
1 1 1    0   27   22 o   11.463   0.6472   10.223   89.500   0.00   0.17   0.00   0.00 
1 1 1    0   27   23 o   10.474   0.6505   4.0438 -88.8000   0.00   0.45   0.00   0.00 
1 1 1    0   27   24 o   0.0000   3.6056   4.8388 -90.3000  -0.00  -0.04   0.00   0.00 
1 1 1    0   27   25 o   1.6432   1.6688   5.0297   91.900  -0.00  -0.13   0.00   0.00 
1 1 1    0   28    0 o   15.443   0.6010   10.045  -0.6000   0.16   0.00   0.00   0.00 
1 1 1    0   28    1 o   12.137   0.4868   13.490 -179.9000   0.20   0.00   0.00   0.00 
1 1 1    0   28    2 o   25.233   0.3825   11.715   0.3000   0.23   0.00   0.00   0.00 
1 1 1    0   28    3 o   13.719   0.4138   12.220  179.900   0.40   0.00   0.00   0.00 
1 1 1    0   28    4 o   2.2361   1.3924   1.0705  -7.0000   0.14   0.00   0.00   0.00 
1 1 1    0   28    5 o   5.1962   0.9398   6.5484   0.4000  -0.15   0.00   0.00   0.00 
1 1 1    0   28    6 o   6.3797   0.9579   2.3852  177.400   0.09   0.00   0.00   0.00 
1 1 1    0   28    7 o   24.152   0.7428   17.566 -179.9000  -0.64   0.00   0.00   0.00 
1 1 1    0   28    8 o   1.6733   1.5868   1.6494   0.8000   0.09   0.00   0.00   0.00 
1 1 1    0   28    9 o   3.1623   1.1867   4.2912  179.100  -0.03   0.00   0.00   0.00 
1 1 1    0   28   10 f   5.6745   0.9150   0.1092  158.500  -0.06   0.00   0.00   0.00 
1 1 1    0   28   11 o   23.328   0.3796   11.419  179.600  -0.43   0.00   0.00   0.00 
1 1 1    0   28   12 o   8.6197   0.6408   14.296  179.600  -0.67   0.00   0.00   0.00 
1 1 1    0   28   13 o   1.8708   1.4225   1.3464 -178.6000  -0.19   0.00   0.00   0.00 
1 1 1    0   28   14 o   1.8166   1.5213   1.8729  179.000  -0.07   0.00   0.00   0.00 
1 1 1    0   28   15 o   6.3953   0.9267   2.2937 -179.8000   0.39   0.00   0.00   0.00 
1 1 1    0   28   16 f   5.1865   1.0150   4.4673  178.200  -0.11   0.00   0.00   0.00 
1 1 1    0   28   17 o   14.184   0.5101   20.552  -0.2000   0.32   0.00   0.00   0.00 
1 1 1    0   28   18 o   3.3015   1.2930   0.4953   5.0000  -0.07   0.00   0.00   0.00 
1 1 1    0   28   19 o   15.343   0.4371   18.724  179.900  -0.96   0.00   0.00   0.00 
1 1 1    0   28   20 o   10.835   0.6313   7.1344  179.100  -0.50   0.00   0.00   0.00 
1 1 1    0   28   21 o   3.9497   1.1906   1.9740 -174.6000   0.07   0.00   0.00   0.00 
1 1 1    0   28   22 o   7.8486   0.8206   9.9175   0.5000   0.25   0.00   0.00   0.00 
1 1 1    0   28   23 o   7.8549   0.7361   2.7116   1.1000   0.01   0.00   0.00   0.00 
1 1 1    0   28   24 f   6.4343   0.9401   11.126  180.000  -0.47   0.00   0.00   0.00 
1 1 1    0   29    1 o   10.686   0.7421   8.1838 -89.8000  -0.00  -0.06   0.00   0.00 
1 1 1    0   29    2 o   5.0100   0.8865   3.3056 -92.2000  -0.00  -0.17   0.00   0.00 
1 1 1    0   29    3 o   8.3126   0.7426   6.4656   90.600  -0.00  -0.03   0.00   0.00 
1 1 1    0   29    4 o   2.3664   1.3866   7.2424   89.800   0.00   0.10   0.00   0.00 
1 1 1    0   29    5 o   21.291   0.4033   21.110   89.900  -0.00  -0.42   0.00   0.00 
1 1 1    0   29    6 o   14.890   0.5844   21.800 -89.8000  -0.00  -0.73   0.00   0.00 
1 1 1    0   29    7 o   9.3808   0.6374   6.2536 -90.0000  -0.00  -0.41   0.00   0.00 
1 1 1    0   29    8 o   7.3007   0.7704   7.5246 -91.0000  -0.00  -0.13   0.00   0.00 
1 1 1    0   29    9 o   3.3912   1.4545   14.358   89.900   0.00   0.23   0.00   0.00 
1 1 1    0   29   10 o   6.5955   0.7872   0.2602   75.700  -0.00  -0.46   0.00   0.00 
1 1 1    0   29   11 o   8.2583   0.8420   6.8667 -90.1000  -0.00  -0.29   0.00   0.00 
1 1 1    0   29   12 o   10.872   0.5882   8.6093   89.700   0.00   0.05   0.00   0.00 
1 1 1    0   29   13 o   0.0000   3.4785   3.9984   88.100   0.00   0.06   0.00   0.00 
1 1 1    0   29   14 o   9.0222   0.7024   7.5336   90.100   0.00   0.10   0.00   0.00 
1 1 1    0   29   15 o   5.1088   0.9985   2.3032 -90.1000   0.00   0.32   0.00   0.00 
1 1 1    0   29   16 o   16.742   0.4591   14.988 -90.3000  -0.00  -1.15   0.00   0.00 
1 1 1    0   29   17 o   8.3845   0.7971   8.6359 -89.6000  -0.00  -0.21   0.00   0.00 
1 1 1    0   29   18 o   3.1937   1.3413   1.6957   89.900   0.00   0.13   0.00   0.00 
1 1 1    0   29   19 f   8.6487   0.8299   6.9559   90.200  -0.00  -0.06   0.00   0.00 
1 1 1    0   29   20 o   2.6077   1.4857   0.4305   81.700  -0.00  -0.05   0.00   0.00 
1 1 1    0   29   21 o   8.1670   0.9240   8.1661 -89.9000   0.00   0.28   0.00   0.00 
1 1 1    0   29   22 o   0.0000   3.7014   1.4407   93.300   0.00   0.00   0.00   0.00 
1 1 1    0   30    0 o   16.193   0.5838   6.9013   0.6000   0.17   0.00   0.00   0.00 
1 1 1    0   30    1 o   7.7974   0.7777   9.2707  179.400  -0.48   0.00   0.00   0.00 
1 1 1    0   30    2 o   15.758   0.6428   17.361  179.800  -0.18   0.00   0.00   0.00 
1 1 1    0   30    3 o   3.2094   1.6048   9.4273 -179.8000   0.08   0.00   0.00   0.00 
1 1 1    0   30    4 f   1.6125   2.0023   8.2376  179.700   0.05   0.00   0.00   0.00 
1 1 1    0   30    5 o   4.5166   1.2448   0.7701  -3.6000  -0.07   0.00   0.00   0.00 
1 1 1    0   30    6 o   13.642   0.5390   20.586  179.800  -0.47   0.00   0.00   0.00 
1 1 1    0   30    7 o   7.9310   0.7091   2.4365   1.1000   0.01   0.00   0.00   0.00 
1 1 1    0   30    8 o   3.3166   1.8106   9.1508  -0.2000   0.05   0.00   0.00   0.00 
1 1 1    0   30    9 o   9.8438   1.0707   3.8187   1.3000   0.58   0.00   0.00   0.00 
1 1 1    0   30   10 o   2.5100   1.3627   6.1622  -0.2000   0.13   0.00   0.00   0.00 
1 1 1    0   30   11 o   12.896   0.5463   4.8618  -0.3000   0.21   0.00   0.00   0.00 
1 1 1    0   30   12 o   3.9497   1.2757   1.3295 -175.9000  -0.15   0.00   0.00   0.00 
1 1 1    0   30   13 o   5.7966   1.1052   11.197  179.700  -0.19   0.00   0.00   0.00 
1 1 1    0   30   14 o   4.3012   1.1700   2.7922  -2.6000   0.27   0.00   0.00   0.00 
1 1 1    0   30   15 o   0.0000   4.0373   3.2090  179.300   0.03   0.00   0.00   0.00 
1 1 1    0   30   16 o   2.8810   1.3813   0.7010   0.0000   0.04   0.00   0.00   0.00 
1 1 1    0   30   17 o   2.4083   1.6256   3.9592  -0.2000   0.04   0.00   0.00   0.00 
1 1 1    0   30   18 o   0.0000   3.7014   4.0746  -2.3000  -0.05   0.00   0.00   0.00 
1 1 1    0   30   19 f   0.0000   4.1231   0.9706 -179.6000  -0.10   0.00   0.00   0.00 
1 1 1    0   30   20 o   0.0000   4.2308   2.3284   1.5000  -0.06   0.00   0.00   0.00 
1 1 1    0   31    1 o   6.6257   1.0108   3.5602 -91.0000  -0.00  -0.02   0.00   0.00 
1 1 1    0   31    2 o   4.5717   1.2624   7.0016 -89.7000  -0.00  -0.20   0.00   0.00 
1 1 1    0   31    3 o   0.0000   4.2190   8.7297   89.400   0.00   0.17   0.00   0.00 
1 1 1    0   31    4 o   0.7746   1.7271   6.1430   90.700   0.00   0.18   0.00   0.00 
1 1 1    0   31    5 o   14.584   0.5066   16.475   90.100   0.00   0.62   0.00   0.00 
1 1 1    0   31    6 o   16.661   0.7735   16.193 -89.9000   0.00   0.30   0.00   0.00 
1 1 1    0   31    7 o   0.0000   4.0988   2.7080   93.100   0.00   0.02   0.00   0.00 
1 1 1    0   31    8 o   0.0000   4.3589   3.0518 -89.0000   0.00   0.18   0.00   0.00 
1 1 1    0   31    9 f   16.840   0.5739   18.720   90.300   0.00   0.75   0.00   0.00 
1 1 1    0   31   10 o   1.5166   1.5760   1.9735 -89.1000  -0.00  -0.05   0.00   0.00 
1 1 1    0   31   11 o   3.0166   1.6631   4.1315   90.300  -0.00  -0.28   0.00   0.00 
1 1 1    0   31   12 o   6.3325   1.0389   2.6462   90.700   0.00   0.52   0.00   0.00 
1 1 1    0   31   13 o   2.3022   1.6916   7.5627   90.800  -0.00  -0.12   0.00   0.00 
1 1 1    0   31   14 o   3.0822   1.4255   1.2872   87.100  -0.00  -0.02   0.00   0.00 
1 1 1    0   31   15 o   2.9665   1.8621   1.1154   96.100  -0.00  -0.04   0.00   0.00 
1 1 1    0   31   16 f   2.7749   1.7151   9.9841 -90.3000  -0.00  -0.27   0.00   0.00 
1 1 1    0   31   17 o   0.0000   3.8987   2.2164   87.500  -0.00  -0.11   0.00   0.00 
1 1 1    0   32    0 o   12.017   0.9068   9.3722 -179.7000  -0.11   0.00   0.00   0.00 
1 1 1    0   32    1 o   7.1134   1.3051   12.974 -179.7000  -0.60   0.00   0.00   0.00 
1 1 1    0   32    2 o   0.0000   4.9598   2.1907  179.600  -0.10   0.00   0.00   0.00 
1 1 1    0   32    3 o   3.0331   1.7099   9.0407  -0.5000   0.32   0.00   0.00   0.00 
1 1 1    0   32    4 o   5.2154   1.1784   6.1602 -179.4000  -0.02   0.00   0.00   0.00 
1 1 1    0   32    5 o   0.0000   4.4159   1.9515  -0.2000   0.09   0.00   0.00   0.00 
1 1 1    0   32    6 o   9.5446   1.6299   11.687  179.800  -0.29   0.00   0.00   0.00 
1 1 1    0   32    7 o   9.5499   0.7097   1.9362 -178.0000  -0.06   0.00   0.00   0.00 
1 1 1    0   32    8 o   8.8091   0.8645   7.7939   0.9000  -0.03   0.00   0.00   0.00 
1 1 1    0   32    9 o   1.2247   1.9764   3.6381  -2.5000   0.14   0.00   0.00   0.00 
1 1 1    0   32   10 o   0.0000   3.9875   1.9660  179.300   0.09   0.00   0.00   0.00 
1 1 1    0   32   11 o   0.0000   4.3818   4.8854   0.4000   0.06   0.00   0.00   0.00 
1 1 1    0   32   12 f   2.7203   1.6097   0.2593 -178.8000  -0.22   0.00   0.00   0.00 
1 1 1    0   32   13 o   0.0000   4.3474   0.1419  141.400   0.07   0.00   0.00   0.00 
1 1 1    0   32   14 o   0.0000   4.6904   1.1146   8.5000   0.15   0.00   0.00   0.00 
1 1 1    0   33    1 o   1.6125   1.8823   0.1634   80.400   0.00   0.06   0.00   0.00 
1 1 1    0   33    2 o   4.5935   1.5015   2.3216 -92.3000  -0.00  -0.12   0.00   0.00 
1 1 1    0   33    3 o   0.0000   4.0497   5.1759   89.400   0.00   0.09   0.00   0.00 
1 1 1    0   33    4 o   6.1400   1.5254   6.8656   90.700   0.00   0.09   0.00   0.00 
1 1 1    0   33    5 o   0.7071   1.6797   1.3564 -91.0000  -0.00  -0.28   0.00   0.00 
1 1 1    0   33    6 o   7.6551   0.8584   1.3870 -92.3000   0.00   0.15   0.00   0.00 
1 1 1    0   33    7 o   0.0000   3.8601   1.3178   86.300  -0.00  -0.08   0.00   0.00 
1 1 1    0   33    8 o   0.0000   4.9800   3.4856 -90.3000  -0.00  -0.03   0.00   0.00 
1 1 1    0   33    9 o   0.0000   5.0498   5.1495   91.300   0.00   0.09   0.00   0.00 
1 1 1    0   33   10 o   0.0000   4.2779   9.8237 -90.2000  -0.00  -0.09   0.00   0.00 
1 1 1    0   34    0 o   8.9554   1.5299   16.660 -179.4000   0.01   0.00   0.00   0.00 
1 1 1    0   34    1 o   4.1833   1.8009   11.332 -179.8000  -0.48   0.00   0.00   0.00 
1 1 1    0   34    2 o   2.4290   2.6179   1.7207  179.300   0.12   0.00   0.00   0.00 
1 1 1    0   34    3 o   0.0000   4.5935   2.3616   1.8000   0.05   0.00   0.00   0.00 
1 1 1    1    0    2 f   22.023   0.2381   10.160  178.700   0.29   0.00   0.00   0.00 
1 1 1    1    0    4 o   23.039   0.2022   50.521   0.4000   0.53   0.00   0.00   0.00 
1 1 1    1    0    6 o   32.780   0.2242   1.4670 -156.4000   0.34   0.00   0.00   0.00 
1 1 1    1    0    8 o   76.149   0.5314   85.520   0.0000  -0.30   0.00   0.00   0.00 
1 1 1    1    0    9 o  103.739   1.7725   95.301 -90.1000   0.00   0.85   0.00   0.00 
1 1 1    1    0   10 o   72.830   0.4456   73.591  179.800   0.89   0.00   0.00   0.00 
1 1 1    1    0   13 o   25.292   0.2641   6.5930 -89.2000   0.00   0.14   0.00   0.00 
1 1 1    1    0   14 o   21.000   0.2168   18.446  179.400   0.38   0.00   0.00   0.00 
1 1 1    1    0   15 o   12.736   0.2199   0.5021  123.500   0.00   0.07   0.00   0.00 
1 1 1    1    0   16 o   9.4921   0.2663   17.995 -179.6000   0.08   0.00   0.00   0.00 
1 1 1    1    0   17 o   7.7846   0.3441   8.4037 -90.7000   0.00   0.14   0.00   0.00 
1 1 1    1    0   18 f   51.197   0.3704   70.943  179.600   0.14   0.00   0.00   0.00 
1 1 1    1    0   19 o   40.097   0.2946   36.978 -90.3000  -0.00  -0.09   0.00   0.00 
1 1 1    1    0   20 o   37.457   0.3962   23.713  179.300  -0.31   0.00   0.00   0.00 
1 1 1    1    0   21 o   91.404   0.5600  102.988 -90.1000  -0.00  -0.71   0.00   0.00 
1 1 1    1    0   22 o   86.979   0.5455  102.802  -0.1000  -0.35   0.00   0.00   0.00 
1 1 1    1    0   23 o   26.146   0.2669   16.906 -89.8000   0.00   0.07   0.00   0.00 
1 1 1    1    0   24 o   52.757   0.3680   40.544 -179.9000  -0.10   0.00   0.00   0.00 
1 1 1    1    0   25 o   32.069   0.2874   39.600   89.700   0.00   0.15   0.00   0.00 
1 1 1    1    0   26 o   18.942   0.3905   6.3205   0.3000  -0.08   0.00   0.00   0.00 
1 1 1    1    0   27 o   33.534   0.3307   31.968 -89.9000  -0.00  -0.35   0.00   0.00 
1 1 1    1    0   28 o   22.514   0.2937   23.425  179.700   0.09   0.00   0.00   0.00 
1 1 1    1    0   29 o   0.0000   3.1145   26.381   90.000  -0.00  -0.00   0.00   0.00 
1 1 1    1    0   30 f   37.909   0.3243   29.270   0.0000  -0.47   0.00   0.00   0.00 
1 1 1    1    0   31 o   28.071   0.3048   11.623 -88.8000   0.00   0.35   0.00   0.00 
1 1 1    1    0   32 o   85.034   0.5863   76.891  -0.0000   0.63   0.00   0.00   0.00 
1 1 1    1    0   33 o   15.489   0.3410   6.3907 -89.8000  -0.00  -0.40   0.00   0.00 
1 1 1    1    0   34 o   11.131   0.4321   16.703  179.800  -0.24   0.00   0.00   0.00 
1 1 1    1    0   35 o   11.045   0.4561   9.0926   90.100  -0.00  -0.22   0.00   0.00 
1 1 1    1    0   36 o   26.745   0.3031   27.057   0.2000   0.16   0.00   0.00   0.00 
1 1 1    1    0   37 o   20.816   0.3263   17.832   89.800   0.00   0.59   0.00   0.00 
1 1 1    1    0   38 o   0.0000   3.3466   4.8183  -0.9000   0.07   0.00   0.00   0.00 
1 1 1    1    0   39 o   17.911   0.3504   15.459 -89.6000   0.00   0.40   0.00   0.00 
1 1 1    1    0   40 o   14.642   0.4214   18.850   0.2000   0.38   0.00   0.00   0.00 
1 1 1    1    0   41 f   9.8894   0.5996   9.8324 -90.0000  -0.00  -0.15   0.00   0.00 
1 1 1    1    0   42 o   0.0000   3.3466   0.5222 -178.0000   0.00   0.00   0.00   0.00 
1 1 1    1    1    3 o   43.564   1.1554   63.570 -51.6000   1.34  -4.27   4.95  -5.73 
1 1 1    1    1    4 o   57.747   2.0208   77.042 -71.8000   1.35  -1.36  -0.25   0.21 
1 1 1    1    1    5 o   41.093   0.3018   40.644  165.000  -0.64   0.33   0.43  -0.08 
1 1 1    1    1    7 o   82.894   0.7587   72.787   8.6000  -2.92  -2.53   2.38   1.35 
1 1 1    1    1   10 o  113.666   1.2127   94.965  157.900  -4.27   2.07  -0.32   2.13 
1 1 1    1    1   11 o   31.658   1.0023   18.092  177.000  -6.08   6.19  -0.15   4.02 
1 1 1    1    1   12 o   87.209   1.7468   89.298  110.800 -19.60   6.03  -4.73   3.89 
1 1 1    1    1   13 o   96.263   1.4951   81.165 -175.9000  -8.34   6.06  -0.44   2.28 
1 1 1    1    1   14 o   45.329   3.3679   23.883  154.900 -57.90  -5.66 -18.68  -4.61 
1 1 1    1    1   15 o   36.213   0.3560   17.753   17.300  -0.11  -0.81   0.58   0.12 
1 1 1    1    1   16 o   86.091   1.8889   74.759 -97.8000  28.50 -19.69 -13.82  20.34 
1 1 1    1    1   17 o   36.382   1.9863   39.982   63.400   7.56  15.90   3.28  -3.45 
1 1 1    1    1   18 f   15.898   1.6076   5.4231 -170.3000  27.08   3.56 -12.08  -3.47 
1 1 1    1    1   19 o   16.818   3.2791   14.536  104.500 -22.13  55.86  11.82  11.26 
1 1 1    1    1   20 o   65.104   0.6604   71.198   86.700  -4.81   2.27  -7.36   5.23 
1 1 1    1    1   21 f   35.501   0.1973   42.268  158.800   1.33   1.71   0.21  -1.33 
1 1 1    1    1   22 o  108.940   0.4622  111.227 -81.9000  -5.05  -2.67  -5.22  -3.97 
1 1 1    1    1   23 o   71.244   2.7234   46.245 -155.3000 -14.77 -18.98   1.78  -5.54 
1 1 1    1    1   24 o   51.528   0.3480   45.504 -110.9000   0.50  -0.54  -0.09   0.33 
1 1 1    1    1   25 o   59.780   1.0207   56.547   25.000  13.89 -21.56   8.04  15.38 
1 1 1    1    1   26 o   70.949   0.3331   82.226 -65.9000  -1.78   0.23  -2.31  -0.62 
1 1 1    1    1   27 o   51.301   0.9934   49.414 -13.3000   1.66  -6.05   1.93   0.82 
1 1 1    1    1   28 o   31.043   0.2445   34.465  173.100  -0.20   3.12   3.85   1.17 
1 1 1    1    1   29 o   33.796   2.0457   40.216 -157.2000  -0.40 -57.93  20.64   0.33 
1 1 1    1    1   30 o   31.838   1.5690   26.885 -164.1000 -32.41  -7.81  -6.77  -3.20 
1 1 1    1    1   31 o   78.173   0.8484   83.123 -152.9000  -0.52  -4.76   1.63  -1.31 
1 1 1    1    1   32 o   12.824   1.3165   9.8161   47.900 -28.11   3.31 -11.26   2.33 
1 1 1    1    1   33 o   29.699   1.5569   27.927 -70.2000  -0.37 -24.60   6.95  -0.73 
1 1 1    1    1   34 o   27.715   1.0127   23.875   43.300   6.74  13.86   2.10  -2.28 
1 1 1    1    1   35 o   6.4500   0.5117   10.019 -157.5000  -0.37  -3.10   4.39  -0.19 
1 1 1    1    1   36 o   32.860   0.2294   24.397 -102.3000  -0.18   0.62  -0.27   0.28 
1 1 1    1    1   37 o   44.128   0.4905   32.729 -52.2000   1.51  -4.69   0.50   0.75 
1 1 1    1    1   38 o   5.6988   1.4663   6.4193   91.400   2.80   4.53   0.42  -1.02 
1 1 1    1    1   39 o   7.8218   0.7682   8.8544 -50.7000  -1.62  -2.69   0.26  -0.76 
1 1 1    1    1   40 o   2.9967   1.4229   2.9004  106.200   0.05  -0.12   0.00   0.00 
1 1 1    1    1   41 o   15.973   0.2986   13.235 -110.3000   0.29  -0.40  -0.50  -0.84 
1 1 1    1    1   42 o   4.7349   0.8062   9.0477 -10.7000   0.37   0.39   0.04  -0.09 
1 1 1    1    2    5 f   56.980   4.9358   40.453 -146.7000 -14.57  -4.93  -4.54  -1.16 
1 1 1    1    2    6 f   28.902   1.4556   39.019 -134.6000   0.53  -0.89   0.21   0.09 
1 1 1    1    2    7 f   81.351   4.5479   72.880 -21.8000   8.47  -5.12   0.24   2.02 
1 1 1    1    2    8 o   34.491   5.8639   18.332 -108.7000  52.24 -110.88  19.68  24.50 
1 1 1    1    2    9 o   51.023   1.3943   46.963 -64.1000 -13.85  -9.17  -3.49 -10.73 
1 1 1    1    2   10 o   74.199   2.6061   52.209 -124.5000  10.62 -44.97  25.81  10.44 
1 1 1    1    2   11 o   47.666   1.0159   44.744 -134.8000   7.09 -11.06   3.73  10.67 
1 1 1    1    2   12 o   82.711   0.3528   67.207   6.9000  -0.42  10.78  17.06  -3.33 
1 1 1    1    2   13 o   44.306   0.2174   34.965 -14.5000   0.27  -3.58   2.40   0.00 
1 1 1    1    2   14 o   58.904   0.5333   39.502  102.400  -1.08   2.24   0.74   0.49 
1 1 1    1    2   15 o   12.133   3.1803   19.200   94.900 -36.70  11.43  -7.42   5.24 
1 1 1    1    2   16 o   14.817   1.0069   8.2394   50.300   4.50  12.57   5.94  -5.44 
1 1 1    1    2   17 o   9.9106   1.2474   9.3741 -47.0000   6.06  12.76   4.01  -5.24 
1 1 1    1    2   18 o   20.911   2.1731   23.474   83.100 -31.28  12.46  -8.26   7.53 
1 1 1    1    2   19 o   41.526   1.2906   32.566  -5.2000   8.12  -4.65  -1.07   2.04 
1 1 1    1    2   20 f   45.485   0.5462   58.217   56.800  -2.73   2.23  -4.71   8.86 
1 1 1    1    2   21 o   41.235   0.6259   53.504 -33.3000   3.18   2.39  -0.88  -5.38 
1 1 1    1    2   22 o   55.469   0.2755   55.175 -35.8000  -2.22  -3.19   0.86  -4.99 
1 1 1    1    2   23 o   60.881   1.9178   55.765  126.400  16.03  26.63   5.85 -12.99 
1 1 1    1    2   24 o   21.805   2.5401   27.944   55.500  -1.24  27.43   6.48   0.70 
1 1 1    1    2   25 o  101.740   0.7945   87.600   57.900  -7.84   9.35  -0.06   9.46 
1 1 1    1    2   26 o   19.243   1.1335   19.087  143.000  -9.34  -5.85  -2.11  -4.75 
1 1 1    1    2   27 o   45.839   0.4251   46.876 -92.7000   8.56   1.16 -14.26  -8.06 
1 1 1    1    2   28 o   46.651   0.6136   43.251  132.900  -0.01   3.45   0.72   0.08 
1 1 1    1    2   29 o   6.8649   0.4718   5.2831 -117.9000  -0.06   0.04   0.02   0.10 
1 1 1    1    2   30 o   71.657   0.9716   66.164 -103.2000   9.45 -15.13   1.97   6.32 
1 1 1    1    2   31 o   31.906   2.8585   22.666 -60.0000  74.09 -33.94 -13.62  16.78 
1 1 1    1    2   32 o   45.727   0.5513   49.326   35.300  -4.12  17.51  10.14   7.50 
1 1 1    1    2   33 o   19.188   0.4255   21.338 -113.0000  -2.05  -0.41  -1.46  -0.19 
1 1 1    1    2   34 o   24.056   0.5859   23.895  169.700  -3.20  -2.42  -0.08  -0.45 
1 1 1    1    2   35 o   30.090   0.6377   28.824  165.900  -2.02  -3.02   0.03  -2.42 
1 1 1    1    2   36 o   9.3590   0.8695   13.221 -117.2000  -9.15   0.72  -5.10   1.54 
1 1 1    1    2   37 o   23.257   1.2034   13.487   31.700   8.83   9.40  -0.24  -3.36 
1 1 1    1    2   38 o   21.204   0.2494   17.589 -169.5000  -0.60  -0.08  -0.37   0.46 
1 1 1    1    2   39 o   10.806   0.3630   11.843 -33.0000  -0.14  -1.45   1.03  -0.86 
1 1 1    1    2   40 o   5.7309   0.7782   0.7987 -82.9000  -3.13  -2.52  -0.09  -1.70 
1 1 1    1    2   41 f   18.508   0.7777   7.9127 -66.3000   9.36  -0.42  -2.17  -0.17 
1 1 1    1    3    0 o   24.081   0.1895   33.746 -89.8000  -0.00  -0.46   0.00   0.00 
1 1 1    1    3    1 f   42.964   0.9652   8.5606  130.200  -2.66   2.48  -3.41   1.13 
1 1 1    1    3    2 o   47.501   0.7058   53.632 -106.2000   0.33  -3.06  -0.63   3.25 
1 1 1    1    3    3 o   46.616   4.3403   37.426   29.400   6.82   9.83   2.39  -2.68 
1 1 1    1    3    4 o   14.602   0.6915   9.1650 -58.5000   0.38  -0.23   0.10   0.24 
1 1 1    1    3    5 o   13.884   0.1963   16.899 -51.4000  -0.63   0.16  -0.81  -0.98 
1 1 1    1    3    8 o   67.417   0.3399   71.703 -32.9000  -0.79  -0.57   0.99  -1.68 
1 1 1    1    3    9 o  124.055   1.1967  115.043  111.400   2.86   2.17   1.21  -1.91 
1 1 1    1    3   10 o   33.674   3.8271   21.335 -140.5000 -21.91 -41.88   6.54  -9.03 
1 1 1    1    3   11 o   78.479   1.4097   75.857 -54.7000  10.34   1.67  -3.14  -0.66 
1 1 1    1    3   12 o   63.039   0.2790   67.784 -61.3000   1.48   0.06  -3.63  -6.61 
1 1 1    1    3   13 o   48.816   0.9936   61.262  162.600  -3.48   0.54  -0.75   0.40 
1 1 1    1    3   14 o   10.655   3.2191   9.0416  160.800 -37.82  10.99  -5.31   3.27 
1 1 1    1    3   15 o   24.042   2.2292   15.907 -12.9000  29.53   0.28  -8.14   0.17 
1 1 1    1    3   16 o   22.171   3.4470   7.9835 -80.2000   0.41 -63.60  16.78   0.62 
1 1 1    1    3   17 o   67.909   3.9229   71.352  115.500 -18.54  71.64  14.97   7.60 
1 1 1    1    3   18 o   70.497   3.1145   63.756   21.900  70.83 -13.67 -22.00  10.06 
1 1 1    1    3   19 f   47.261   0.7966   47.477 -59.9000  -2.18  -1.25  -0.74  -2.13 
1 1 1    1    3   20 o   28.894   0.8815   34.064   79.500 -10.95   2.69  -8.63   4.10 
1 1 1    1    3   21 o   41.184   1.3145   63.852 -171.0000 -13.71   1.27  -4.12   0.90 
1 1 1    1    3   22 o   17.494   0.6393   22.491   43.600   2.91   1.68  -0.62  -1.16 
1 1 1    1    3   23 o  105.881   2.1055  105.989 -109.1000   1.86  -9.47   2.16   1.34 
1 1 1    1    3   24 o   34.748   0.5580   25.752 -36.5000  -0.86  -2.89   0.72  -0.41 
1 1 1    1    3   25 o   26.655   0.4221   18.510 -38.7000  -3.87  -6.51   4.23  -9.01 
1 1 1    1    3   26 o   80.044   0.3677   79.042 -11.7000   1.21  -0.09  -0.40  -0.09 
1 1 1    1    3   27 o   26.703   0.2410   30.470   56.100   0.13  -0.07   0.28   0.26 
1 1 1    1    3   28 o   60.800   1.4682   63.588  149.300  -4.23  29.03   9.67   3.54 
1 1 1    1    3   29 f   52.602   0.3972   49.094  146.000  -0.47   3.42  11.95  -4.82 
1 1 1    1    3   30 o   30.034   0.2239   28.082 -114.1000  -8.17   2.32 -16.77  15.89 
1 1 1    1    3   31 o   48.094   0.7771   50.103 -93.1000  -1.83  -3.29   0.33  -0.95 
1 1 1    1    3   32 o   8.6786   0.9958   9.7623 -178.9000  -9.47  -7.11  -1.21  -4.82 
1 1 1    1    3   33 o   5.5619   1.1332   11.365 -135.1000  -1.01  -5.56   1.54  -0.65 
1 1 1    1    3   34 o   23.529   1.8781   14.448   12.500  55.10  37.76  -6.40 -18.71 
1 1 1    1    3   35 o   40.043   0.5461   30.675   77.600  -0.10   0.46   0.11  -0.32 
1 1 1    1    3   36 o   18.794   0.8928   19.254 -122.0000  -8.53  -6.10  -2.27  -4.01 
1 1 1    1    3   37 o   24.054   0.3996   21.843 -79.6000  -0.53  -1.36   0.02  -1.41 
1 1 1    1    3   38 o   9.6816   0.6335   13.628   45.200  -0.82   6.02   3.67   0.40 
1 1 1    1    3   39 o   8.3327   0.4325   10.637   3.3000   0.08   0.31   0.40   0.39 
1 1 1    1    3   40 o   9.6284   0.4333   13.016  117.000   0.20  -0.08   0.08  -0.34 
1 1 1    1    3   41 o   4.0319   0.9102   5.2580 -82.5000  -2.01  -0.49  -0.51  -0.41 
1 1 1    1    4    0 f   21.872   0.1589   34.258   89.700   0.00   0.05   0.00   0.00 
1 1 1    1    4    1 o   35.750   0.9463   42.918   96.300   0.66   0.74  -0.59  -0.09 
1 1 1    1    4    2 o   44.004   1.5660   17.471  -7.3000  -0.25   0.95   0.19  -0.13 
1 1 1    1    4    3 o   26.179   3.8215   9.4653   56.100  -3.16   6.09   1.31   1.12 
1 1 1    1    4    4 f   15.154   0.8076   22.091 -77.8000   0.76   0.51  -0.69  -0.32 
1 1 1    1    4    5 o   11.729   0.0910   4.4629  115.900   0.03  -0.23  -0.24   0.34 
1 1 1    1    4    6 o   21.527   4.5734   42.619   28.700  21.71 101.01  29.78 -13.06 
1 1 1    1    4    7 o   26.852   0.5497   20.621  130.000  -2.38   0.92  -0.80   0.61 
1 1 1    1    4    8 o   73.455   1.1053   63.811   13.600  11.41 -44.60  79.81  59.63 
1 1 1    1    4    9 o   43.863   0.2705   37.784 -85.4000   2.71  -0.63 -18.32  -2.19 
1 1 1    1    4   10 o   62.568   4.7335   56.920 -35.8000  75.49 -52.28  -6.92  19.92 
1 1 1    1    4   12 o  117.797   2.5809  108.738 -168.1000 -11.80 -11.20   0.67  -5.48 
1 1 1    1    4   13 o   29.451   0.8452   30.248   1.3000   3.94 -16.01  18.89   7.38 
1 1 1    1    4   14 o   43.445   1.8552   46.519   0.7000  14.61   1.48  -3.71  -1.07 
1 1 1    1    4   15 o   47.083   1.4552   45.843 -143.5000  -8.73  -3.04  -2.48  -1.42 
1 1 1    1    4   16 o   56.922   1.5832   50.810  149.600  -7.96  -3.02  -2.16  -1.28 
1 1 1    1    4   17 o   13.309   1.1682   1.9631   49.800   5.09  -4.80  -0.09   1.21 
1 1 1    1    4   18 o   81.827   0.3959   80.268 -146.6000  -0.95  -0.85   0.03  -0.18 
1 1 1    1    4   19 o   69.243   1.6364   66.764 -15.7000   8.90 -15.73   4.34   6.11 
1 1 1    1    4   20 o   28.139   1.4011   31.776   48.500   0.79  12.97   4.06  -0.41 
1 1 1    1    4   21 o   35.325   1.8999   32.932   37.400   7.53  17.81   3.34  -3.31 
1 1 1    1    4   22 o   38.564   1.2914   55.928 -111.2000  11.31 -18.31   5.99  13.19 
1 1 1    1    4   23 o   18.389   1.6383   18.865 -46.1000   5.37 -12.75   2.68   2.86 
1 1 1    1    4   24 o   66.228   0.9689   58.401   67.800  -4.03  10.33   2.99   3.21 
1 1 1    1    4   25 o   63.006   1.0859   63.819   27.400  12.46  -6.73  -4.51   9.11 
1 1 1    1    4   26 o   74.279   0.7600   83.740   62.500   4.41  -0.44  -2.78   1.36 
1 1 1    1    4   27 o   50.292   0.5187   50.254 -42.7000   0.75  -1.91   0.29   0.41 
1 1 1    1    4   28 o   10.181   1.6683   10.197 -60.0000  -9.74 -22.41   5.67  -6.22 
1 1 1    1    4   29 o   41.215   2.3227   36.996 -132.8000 -16.52 -50.12  10.50  -7.26 
1 1 1    1    4   30 o   42.049   0.5248   45.219 -88.0000  17.34  -3.40 -22.17   5.56 
1 1 1    1    4   31 o   43.504   0.8131   34.639 -78.9000  13.39   1.83  -4.34  -0.69 
1 1 1    1    4   32 o   14.641   0.2525   13.631   99.200  -2.12   0.78  -5.58   2.28 
1 1 1    1    4   33 o   24.574   0.6449   18.532 -85.0000   7.59  -7.81  -0.29   3.90 
1 1 1    1    4   34 f   22.508   0.8324   23.581   70.400  10.48   1.46  -6.56  -0.76 
1 1 1    1    4   35 o   8.5966   0.4279   9.3418  168.300   0.16   0.15   0.03  -0.07 
1 1 1    1    4   36 o   3.2492   1.0545   2.4883 -144.1000  -1.71   0.80  -0.49   0.93 
1 1 1    1    4   37 o   27.610   1.0679   22.405   19.700   6.46   9.53   0.73  -4.06 
1 1 1    1    4   38 o   16.831   0.2840   18.504 -121.5000   0.76  -0.40   0.80   1.34 
1 1 1    1    4   39 o   1.5486   1.0962   4.1558   47.700   0.08   0.06   0.01  -0.04 
1 1 1    1    4   40 o   18.268   0.7471   14.095 -133.7000  -7.29  -0.78  -2.55  -1.26 
1 1 1    1    4   41 o   12.070   0.3602   9.1455  -7.5000   0.41  -0.52  -0.12   0.25 
1 1 1    1    5    0 f   22.125   0.1660   20.003 -89.5000   0.00   0.19   0.00   0.00 
1 1 1    1    5    1 o   18.083   6.5376   22.199 -99.2000  14.92   1.95  -2.76  -0.43 
1 1 1    1    5    2 o   44.408   1.5800   25.146 -106.8000  -1.74  -1.52   0.34  -0.48 
1 1 1    1    5    3 o   23.964   3.1016   19.794 -38.2000  -4.15  -0.80  -1.03  -0.09 
1 1 1    1    5    5 o   53.578   2.5584   41.648 -118.7000 -11.15  -7.57  -1.40  -2.98 
1 1 1    1    5    6 o   53.709   1.1998   50.915  128.600  25.32  22.26  -1.67 -36.13 
1 1 1    1    5    7 o   79.108   1.2346   81.505 -104.8000   3.64  -3.08   0.44   3.62 
1 1 1    1    5    8 o   65.836   1.8852   60.416  175.000  -6.95  10.11   1.82   3.66 
1 1 1    1    5    9 o   38.166   1.7871   47.646 -143.2000 -37.56  22.55 -12.47  21.58 
1 1 1    1    5   10 o   64.109   0.8099   67.913 -98.9000  -9.70  -2.29  -8.03  -5.85 
1 1 1    1    5   11 o   71.973   3.4884   74.460 -117.9000  12.21 -58.65  16.70   8.14 
1 1 1    1    5   12 o   98.689   3.4459   88.938 -72.6000 -14.37 -47.88  12.50 -10.71 
1 1 1    1    5   13 o   18.528   0.2824   11.725  179.200   0.42  -1.91   2.43   1.86 
1 1 1    1    5   14 o   67.096   2.2923   50.800 -57.6000  11.24 -17.74   2.86   4.68 
1 1 1    1    5   15 o   20.270   1.9312   23.245 -32.0000   6.17 -30.29  10.74   4.08 
1 1 1    1    5   16 o   68.337   2.9183   63.049 -138.4000 -49.13  15.12 -17.12  14.84 
1 1 1    1    5   17 o   9.9569   1.5399   17.120 -33.2000  21.96 -14.61  -5.01  11.56 
1 1 1    1    5   18 o   49.755   0.2401   51.185   41.000  -1.77   4.72   2.82   3.28 
1 1 1    1    5   19 o   53.121   0.7241   49.721  -7.7000   1.14  -0.78  -0.06   0.25 
1 1 1    1    5   20 o   66.609   2.3953   67.130 -152.4000 -31.92  -1.98  -9.05  -0.82 
1 1 1    1    5   21 o   51.622   0.8542   56.721  114.700   1.18   4.98   1.97  -0.79 
1 1 1    1    5   22 o  116.557   0.7995  106.844  128.600  -1.08   4.61   1.62   0.40 
1 1 1    1    5   23 o   64.043   1.3392   60.392  108.600  13.23  14.38  -0.13 -10.82 
1 1 1    1    5   24 o   16.287   0.9672   29.734  113.600  15.25  12.24  -2.52 -10.63 
1 1 1    1    5   25 o   41.332   3.3636   56.358  -8.5000  54.75 -15.92 -11.81   7.14 
1 1 1    1    5   26 o   88.789   0.6917   72.050   81.300   0.64   1.19   0.04  -0.32 
1 1 1    1    5   27 o   8.2322   0.4908   28.881  101.000  -1.34   0.65  -0.27   0.32 
1 1 1    1    5   28 o   40.315   1.4931   39.610  147.100 -18.69  21.54   0.94   8.96 
1 1 1    1    5   29 f   29.633   0.4528   34.040   88.600   2.89   1.30  -0.53  -0.74 
1 1 1    1    5   30 o   37.909   0.2314   34.590 -120.1000  -4.92   2.25  -6.57  22.91 
1 1 1    1    5   31 o   29.274   0.5525   24.540 -39.5000  -1.72  -4.37   1.47  -1.89 
1 1 1    1    5   32 o   42.293   1.0094   43.226  153.000 -28.83 -20.36  -4.31 -20.52 
1 1 1    1    5   33 f   22.191   0.3908   29.856  153.700  -2.78  -0.86  -0.38  -0.35 
1 1 1    1    5   34 o   2.5311   0.9541   11.747   19.200   0.07  -0.56   0.41  -0.00 
1 1 1    1    5   35 f   52.630   1.3702  ?   ?   16.04  10.56  -6.88  -8.23 
1 1 1    1    5   36 f   25.572   0.3377   24.160  174.000  -2.93   1.43  -0.83   0.48 
1 1 1    1    5   37 o   12.431   0.8667   10.575 -151.6000  -3.27  -0.47  -0.50  -0.08 
1 1 1    1    5   38 o   14.712   1.2700   16.581   98.600  10.70  17.17   2.05  -5.35 
1 1 1    1    5   39 o   5.7599   1.0394   5.4079 -41.0000   2.77   2.14  -0.10  -0.62 
1 1 1    1    5   40 o   5.0281   0.6577   6.1157  158.600   0.94   0.92   0.32  -0.89 
1 1 1    1    5   41 o   6.4945   0.5694   9.4378  101.600  -0.64   0.50  -1.56   0.04 
1 1 1    1    6    0 o   20.474   0.1863   41.042 -89.7000  -0.00  -0.12   0.00   0.00 
1 1 1    1    6    1 o   48.638   2.4340   53.200 -63.7000   2.64  -1.27   0.12   0.88 
1 1 1    1    6    2 o   11.797   1.7209   9.0523   79.800  -1.14   0.71  -0.17   0.20 
1 1 1    1    6    3 o   47.525   1.3690   43.010  177.200  -3.14  -1.76  -0.94  -1.15 
1 1 1    1    6    4 o   10.304   3.4551   11.174 -17.7000  35.81  14.41  -5.04  -4.76 
1 1 1    1    6    5 o   52.693   1.8062   55.796 -116.5000   7.70 -10.74   2.08   4.85 
1 1 1    1    6    6 o   68.905   4.7000   61.840 -132.4000  10.20 -95.90  36.48   6.37 
1 1 1    1    6    7 o   60.179   1.7602   68.005 -28.5000  17.06   4.66  -6.63  -3.22 
1 1 1    1    6    8 o   18.815   2.3073   14.447   75.100 -15.92  28.79   5.55   8.57 
1 1 1    1    6    9 o   86.167   2.4469   92.596 -12.9000  32.40  17.01  -4.19  -6.91 
1 1 1    1    6   10 o   72.157   0.3928   78.862   25.200  -4.28  23.07  29.40  16.71 
1 1 1    1    6   11 o  104.960   3.1188  106.836 -131.8000 -14.92 -43.97   9.65  -6.34 
1 1 1    1    6   12 o   33.205   0.2961   37.818 -114.7000  -0.24  -0.86   0.41  -0.64 
1 1 1    1    6   13 o   19.506   0.6480   13.859 -172.9000  -7.14   6.21  -2.45  10.29 
1 1 1    1    6   14 o   12.508   1.6776   22.170 -174.6000 -23.78  -8.23  -9.33  -6.90 
1 1 1    1    6   15 o   16.072   2.1494   10.496 -97.5000  -4.96 -25.83   6.47  -2.38 
1 1 1    1    6   16 o   27.108   0.2205   28.984 -62.2000  -0.20  -0.31  -0.05  -0.58 
1 1 1    1    6   17 o   19.018   1.6726   13.296 -153.9000 -17.03  17.61   0.57  10.20 
1 1 1    1    6   18 o   6.9320   0.7599   10.565  157.000   2.63   7.42   5.89  -4.99 
1 1 1    1    6   19 o   50.951   0.2507   37.142 -85.8000   0.01   0.22  -0.48   1.80 
1 1 1    1    6   20 o   10.661   1.3749   9.6810 -74.6000 -10.36 -12.62   1.21  -6.37 
1 1 1    1    6   21 o   64.214   0.7030   50.691  133.800   1.66   7.56   4.86  -2.98 
1 1 1    1    6   22 o   37.392   0.5230   37.612 -124.8000   3.82  -5.13   1.21   8.15 
1 1 1    1    6   23 o   24.568   2.7676   15.768 -28.0000  29.33 -13.14  -4.61   5.00 
1 1 1    1    6   24 o   55.008   1.1112   51.205 -164.9000 -10.37   5.01  -1.77   2.46 
1 1 1    1    6   25 o   50.307   0.8116   53.968   4.6000   2.46  -1.44  -0.40   1.07 
1 1 1    1    6   26 o   15.579   1.3425   33.069 -54.4000  -4.27 -11.00   3.13  -2.68 
1 1 1    1    6   27 o   46.735   0.5123   42.461 -18.5000  -0.06  -3.10   1.32  -0.26 
1 1 1    1    6   28 o   67.081   0.3160   59.665 -69.3000   1.07   0.31  -0.40  -0.03 
1 1 1    1    6   29 o   31.042   0.2535   30.156 -147.0000   1.02  -0.64  -0.51   0.57 
1 1 1    1    6   30 f   31.164   1.4732   24.311 -76.8000  18.45 -17.21  -1.26   9.43 
1 1 1    1    6   31 o   25.566   0.9471   27.915 -83.4000  -3.39 -11.09   2.30  -1.80 
1 1 1    1    6   32 o   30.628   1.9667   23.586  175.000 -50.75 -22.83  -8.32 -10.32 
1 1 1    1    6   33 o   11.013   0.7246   11.252 -27.9000   4.80   2.03  -0.78  -0.92 
1 1 1    1    6   34 f   10.254   0.5204   16.236   8.7000   2.37  -5.34   3.77   3.14 
1 1 1    1    6   35 o   20.197   0.3859   15.056 -28.8000   1.91   0.67  -0.66  -0.29 
1 1 1    1    6   36 o   32.322   1.1388   28.518 -55.2000  28.27  -3.00  -8.12   0.40 
1 1 1    1    6   37 o   23.518   0.5601   19.842  -3.3000   3.54  -2.66  -0.03   1.46 
1 1 1    1    6   38 o   14.917   1.1834   13.995 -42.3000  11.97  -8.62  -0.77   3.35 
1 1 1    1    6   39 o   13.552   0.3051   14.539 -139.8000  -0.82  -1.20  -0.01  -0.68 
1 1 1    1    6   40 o   12.677   1.6451   9.2420 -157.9000 -17.24   2.64  -2.81   0.64 
1 1 1    1    6   41 o   3.7126   0.8848   4.7295  107.600   0.00  -0.01  -0.00  -0.00 
1 1 1    1    7    0 o   15.868   0.1622   9.0474   93.500  -0.00  -0.00   0.00   0.00 
1 1 1    1    7    1 o   63.837   1.1887   61.972   53.400  10.10   0.58  -5.82   0.11 
1 1 1    1    7    2 o   14.597   1.3224   5.8832   87.400  -6.26  10.38   3.39   6.02 
1 1 1    1    7    3 f   62.926   1.9030   44.145 -80.7000  -8.71 -19.77   4.25  -4.11 
1 1 1    1    7    4 o   41.621   2.9805   31.211 -10.6000  36.18  18.22 -10.66 -13.33 
1 1 1    1    7    5 o   23.972   2.8671   16.520 -17.2000  24.71 -25.38   0.09   8.69 
1 1 1    1    7    6 o   28.177   2.0858   30.528 -32.6000  -2.90 -25.71  13.89  -3.70 
1 1 1    1    7    7 f   6.8288   1.6356   9.0771  175.800 -16.82   7.17  -3.85   4.09 
1 1 1    1    7    8 o   39.009   0.1869   30.114  159.500  -2.00  -2.23   2.09  -5.55 
1 1 1    1    7    9 o   18.421   2.0445   23.192   83.200   8.57  17.67   2.20  -2.72 
1 1 1    1    7   10 o   39.544   1.4966   31.745 -95.5000   4.09  -9.11   3.20   3.14 
1 1 1    1    7   11 o   48.458   0.3147   39.770 -103.8000  15.93  -4.62 -42.79  12.59 
1 1 1    1    7   12 o   56.479   3.4862   48.535 -98.7000 -34.59 -30.14  -2.36 -11.74 
1 1 1    1    7   13 f   32.750   0.3318   30.001 -114.5000   2.63  -1.21  -1.29   5.52 
1 1 1    1    7   14 o   16.342   1.6723   7.7662 -37.9000   1.98 -19.29   5.47   1.33 
1 1 1    1    7   15 o   28.595   0.1644   39.670   54.700  -1.86   6.03  12.20  11.87 
1 1 1    1    7   16 o   87.739   1.9924   84.022  167.200  -8.09  10.57   1.79   4.09 
1 1 1    1    7   17 o   25.046   1.1896   21.144 -100.0000  -2.01  -7.40   1.52  -0.83 
1 1 1    1    7   18 o  142.143   0.9437  130.616  102.900  -7.88   4.20  -2.27   1.93 
1 1 1    1    7   19 o   22.744   0.1641   14.852 -94.3000  -1.05  -0.27  -0.72  -0.49 
1 1 1    1    7   20 o   59.187   1.0603   62.739 -76.1000  -6.72  -6.12  -1.02  -5.47 
1 1 1    1    7   21 o   71.176   0.5701   68.937 -33.1000  -1.40  -3.35   3.68  -8.28 
1 1 1    1    7   22 f   84.968   0.5040   80.137  106.000  -1.56   1.17  -0.15   0.27 
1 1 1    1    7   23 f   52.752   1.1179   64.304   92.300 -42.25  16.16 -22.79  18.94 
1 1 1    1    7   24 o   79.698   1.1076   69.991 -57.3000  10.11  -1.94  -2.66   0.72 
1 1 1    1    7   25 f   27.483   1.3085   19.629 -18.1000  12.77   0.98  -4.60  -0.91 
1 1 1    1    7   26 o   38.093   0.5248   34.965 -155.1000  -1.92   2.17   0.74   2.07 
1 1 1    1    7   27 o   60.287   1.7985   48.287   98.300 -61.48   8.16 -35.61   7.52 
1 1 1    1    7   28 o   15.436   0.4157   7.3197 -158.8000  -2.20   0.81  -0.82   0.60 
1 1 1    1    7   29 o   14.288   0.5482   21.299   47.500   7.05   2.49  -1.92  -1.43 
1 1 1    1    7   30 o   34.357   0.6076   24.968 -114.1000   0.30  -1.84   0.55   0.36 
1 1 1    1    7   31 o   26.377   0.4470   18.796   86.800  -2.33   3.42   0.62   1.11 
1 1 1    1    7   32 o   10.883   0.3348   9.3862 -125.0000   0.85   0.39  -2.04  -0.76 
1 1 1    1    7   33 o   6.0916   0.5312   10.862  150.600  -2.51   0.34  -1.73   0.75 
1 1 1    1    7   34 o   18.753   0.7355   20.972 -19.7000  -1.62 -13.80   7.22  -2.63 
1 1 1    1    7   35 o   19.259   0.9052   20.250   61.700   3.91   2.02  -0.65  -0.60 
1 1 1    1    7   36 o   13.008   0.2949   14.399  164.700  -0.08  -0.16   0.11   0.02 
1 1 1    1    7   37 o   8.7857   0.4795   6.0764 -120.8000  -2.40  -1.04  -1.23  -0.81 
1 1 1    1    7   38 f   5.9341   1.2764   10.844  168.000   0.07  -5.77   1.65   0.21 
1 1 1    1    7   39 o   6.2583   0.6073   5.8269 -101.5000  -0.75  -0.27  -0.78  -0.00 
1 1 1    1    7   40 o   14.256   0.3835   12.138 -58.9000   0.38  -0.53   0.44   0.04 
1 1 1    1    7   41 o   0.0000   2.7289  ?   ?    0.17   0.28  -0.11  -0.22 
1 1 1    1    8    0 o   27.711   0.2060   34.339   89.400  -0.00  -0.15   0.00   0.00 
1 1 1    1    8    1 o   37.671   0.1787   45.329  123.500   0.06  -0.00   0.12  -0.03 
1 1 1    1    8    2 o   39.389   0.4393   27.150 -10.2000   0.99   2.63   1.90  -1.13 
1 1 1    1    8    3 o   71.605   0.3048   81.863 -144.3000   0.23  -1.40   1.05   1.43 
1 1 1    1    8    4 o   10.144   1.6983   9.8845 -45.5000   2.65 -14.81   4.40   1.69 
1 1 1    1    8    5 o   33.539   1.5899   35.497 -44.3000   2.66  -7.22   1.72   1.32 
1 1 1    1    8    6 o   12.452   1.5098   30.423 -35.5000   9.79 -14.55   1.93   4.93 
1 1 1    1    8    7 o   28.954   0.2083   26.388   67.000  -2.09   0.97  -5.68   3.99 
1 1 1    1    8    8 o   38.537   0.4346   41.547 -134.7000   0.00  -0.11   0.06  -0.06 
1 1 1    1    8    9 o   17.766   1.2737   15.515   92.700 -11.21  10.45  -0.57   5.30 
1 1 1    1    8   10 f   58.500   1.0219   66.054 -98.7000  -2.69  -6.50   0.90  -0.69 
1 1 1    1    8   11 o   15.205   1.2335   13.263  150.700   2.13  18.30  15.29  -4.38 
1 1 1    1    8   12 o   17.754   1.0777   9.7398  136.900  -3.45 -13.04   5.92  -2.92 
1 1 1    1    8   13 o   12.002   1.9627   16.476   96.400 -13.23  21.46   3.08   6.48 
1 1 1    1    8   14 o   27.567   0.1879   33.259   16.500   0.38  -0.02  -0.17  -0.09 
1 1 1    1    8   15 o   34.883   0.6233   26.091 -48.4000  -1.60  -4.72   2.57  -1.54 
1 1 1    1    8   16 o   45.647   1.4904   39.399 -11.3000  11.56 -13.23   1.11   5.60 
1 1 1    1    8   17 f   27.822   1.3691   35.957  101.800  -9.03   7.12  -0.61   2.93 
1 1 1    1    8   18 o   44.299   1.0424   49.257   62.900   5.54   3.43  -1.14  -2.01 
1 1 1    1    8   19 o   63.319   1.3717   56.469   66.100 -10.45  15.81   2.28   6.13 
1 1 1    1    8   20 o   8.5232   0.7032   5.8541 -94.0000  -0.26   5.83   2.89   0.31 
1 1 1    1    8   21 o   7.7144   0.9258   22.896 -45.5000   4.62   2.60  -1.10  -1.75 
1 1 1    1    8   22 o   79.801   0.3841   84.298   29.500   2.11  -0.93  -0.49   2.98 
1 1 1    1    8   23 o   60.126   1.1077   52.897 -128.5000 -10.13  -2.38  -3.66  -1.50 
1 1 1    1    8   24 o   24.692   0.7670   23.781 -115.0000  -1.64  -2.19   0.15  -0.68 
1 1 1    1    8   25 o   43.661   0.5390   45.214 -155.4000  -2.07   1.48  -0.13   1.19 
1 1 1    1    8   26 o   13.871   0.6380   15.172  -3.0000   3.06   2.53  -0.25  -1.11 
1 1 1    1    8   27 o   36.012   0.2820   33.094 -55.5000   1.04   0.42  -0.22  -0.36 
1 1 1    1    8   28 o   16.853   0.8279   22.884   56.300  -3.08  11.50   4.68   2.95 
1 1 1    1    8   29 o   16.055   0.4524   15.162 -107.1000  -5.12  -0.43  -2.00  -0.22 
1 1 1    1    8   30 o   15.308   0.7501   15.135  102.200   9.20   2.50  -4.94  -3.38 
1 1 1    1    8   31 o   17.005   1.1473   14.192 -67.7000  -1.71 -10.88   1.59  -0.58 
1 1 1    1    8   32 o   13.166   1.3986   22.367  172.500 -20.49 -12.96  -2.62  -6.15 
1 1 1    1    8   33 o   9.7453   0.3571   6.6832 -158.0000   0.08  -0.37   0.31  -0.03 
1 1 1    1    8   34 o   8.5738   0.4928   6.4747 -60.8000  -0.24  -2.34   0.73  -0.26 
1 1 1    1    8   35 o   24.797   0.4829   21.884 -64.8000  -0.50  -1.68   0.37  -0.05 
1 1 1    1    8   36 o   33.572   0.2947   25.403 -133.2000  -0.56  -2.22  -3.48   8.26 
1 1 1    1    8   37 o   34.934   0.2504   25.874   5.3000   2.84   2.78   0.63  -1.35 
1 1 1    1    8   38 o   5.4879   0.6752   4.9340  110.100   1.41   2.12   0.24  -1.08 
1 1 1    1    8   39 o   8.6264   0.5311   6.4867 -144.9000  -2.17   1.41  -0.16   0.79 
1 1 1    1    8   40 o   20.140   0.4660   17.608 -126.1000  -1.09  -1.27   0.10  -0.19 
1 1 1    1    9    0 o   3.7815   0.3606   0.9392  125.300   0.00   0.01   0.00   0.00 
1 1 1    1    9    1 o   35.461   0.1733   26.569 -50.8000   0.14  -0.04  -0.27  -0.21 
1 1 1    1    9    2 o   27.242   1.5560   37.687 -120.1000 -18.42  -9.22  -4.94  -6.20 
1 1 1    1    9    3 o   49.955   0.5449   31.966   61.900   3.37  -1.60  -1.73   1.51 
1 1 1    1    9    4 o   53.410   0.2384   43.127 -163.1000  -0.08  -1.33   0.46   0.05 
1 1 1    1    9    5 o   21.032   1.7705   4.7063 -161.4000 -13.05   2.12  -2.30   0.72 
1 1 1    1    9    6 o   15.367   3.3341   27.258  168.800 -52.08 -11.33  -9.99  -4.47 
1 1 1    1    9    7 o   12.417   2.0798   33.761  175.300 -26.02   3.42  -6.70   1.72 
1 1 1    1    9    8 o   27.724   4.7805   13.204  110.100  -1.46 106.77  32.04   0.20 
1 1 1    1    9    9 o   42.872   1.2048   28.995   85.300 -38.81   1.98 -23.18   0.59 
1 1 1    1    9   10 o   35.099   1.6271   29.879   54.800   6.12   6.56  -0.18  -4.07 
1 1 1    1    9   11 o   21.011   0.2671   9.4665 -125.8000  -0.51  -1.32   0.53  -0.31 
1 1 1    1    9   12 o   17.958   0.3364   7.1022  136.100  -1.83  -2.41   0.48  -1.17 
1 1 1    1    9   13 o   33.132   2.7851   22.318  156.200 -45.60   6.64 -10.16   2.56 
1 1 1    1    9   14 o   30.087   1.6741   16.498   19.000  12.27  11.44  -0.49  -4.60 
1 1 1    1    9   15 o   40.687   1.6344   46.664 -46.1000  15.79  -3.39  -4.61   1.78 
1 1 1    1    9   16 o   10.239   2.6569   23.374 -23.1000  31.74 -16.98  -4.85   7.36 
1 1 1    1    9   17 o   32.482   1.4395   48.526   64.200  12.59   0.97  -3.18  -0.60 
1 1 1    1    9   18 o   56.816   0.2792   66.550  138.000   0.09   0.17   0.01  -0.05 
1 1 1    1    9   19 o   58.622   1.1871   51.873   66.500   6.96   2.02  -1.89  -1.01 
1 1 1    1    9   20 o   34.258   1.5858   20.663 -87.0000  16.73 -13.24  -1.59   6.11 
1 1 1    1    9   21 o   86.546   0.3663   82.210 -65.4000  -0.10  -0.58  -0.44  -0.97 
1 1 1    1    9   22 o   76.057   1.2780   71.596  123.100 -32.31  -3.00 -16.89  -4.32 
1 1 1    1    9   23 o   24.136   0.9202   33.049   95.800   6.79  -1.11  -3.11   1.23 
1 1 1    1    9   24 o   43.844   0.2951   45.996 -38.1000   0.31  -0.04   0.91  -1.93 
1 1 1    1    9   25 o   70.278   0.8797   75.524 -113.6000 -17.02   1.94 -17.82   8.76 
1 1 1    1    9   26 f   51.832   0.9500   46.154 -104.9000   0.32  -8.99   1.65  -0.00 
1 1 1    1    9   27 o   11.475   0.6900   1.3646 -25.9000   2.59  -4.99   1.14   1.50 
1 1 1    1    9   28 o   8.9323   0.9693   6.7187   76.900   4.46  15.14   6.42  -3.90 
1 1 1    1    9   29 o   68.808   0.4443   59.333 -79.0000   1.75  -1.45  -4.25   0.20 
1 1 1    1    9   30 o   28.230   0.4539   27.432 -145.3000  -0.88   0.67  -0.16   0.26 
1 1 1    1    9   31 o   21.830   0.4526   19.111 -61.6000   1.42  -1.32  -0.20   0.65 
1 1 1    1    9   32 o   29.496   0.2150   35.796 -119.6000  -5.62   0.76 -10.47  11.29 
1 1 1    1    9   33 o   6.6888   0.5868   7.1109  -9.4000   1.15  -1.61   0.25   0.52 
1 1 1    1    9   34 o   30.024   0.8677   31.225 -77.9000  -5.99  -9.18   0.82  -3.07 
1 1 1    1    9   35 o   3.8526   1.7401   7.3719   95.700   2.79   0.67  -0.93  -0.33 
1 1 1    1    9   36 o   7.1240   0.4568   8.8050 -154.5000  -1.46  -0.58  -0.26  -0.36 
1 1 1    1    9   37 o   7.5159   0.9040   7.5819  176.300  -1.35   0.12  -0.11   0.03 
1 1 1    1    9   38 f   20.286   0.2709   20.456 -133.9000  -2.54   0.48  -0.93   0.95 
1 1 1    1    9   39 o   8.9762   0.5017   5.3497  137.700  -1.93  -0.77  -0.78  -0.36 
1 1 1    1    9   40 o   12.504   0.5291   8.7558  -9.3000   1.80  -4.39   1.98   0.86 
1 1 1    1   10    0 o   38.881   0.2669   48.226 -90.2000  -0.00  -0.10   0.00   0.00 
1 1 1    1   10    1 o   40.139   0.4361   39.164 -122.3000  -1.83   0.17  -1.16   0.47 
1 1 1    1   10    2 o   4.5575   0.8171   11.692  119.300  -0.73   5.82   2.88   0.77 
1 1 1    1   10    3 o   54.648   0.5797   54.965  130.600   3.81   9.33   6.36  -8.45 
1 1 1    1   10    4 o   27.704   0.9406   19.324  -7.3000   7.13  -0.26  -2.03   0.06 
1 1 1    1   10    5 o   41.437   1.6666   38.281 -142.9000   8.24 -31.67  12.61   7.72 
1 1 1    1   10    6 o   44.003   3.6870   44.244  166.100 -44.13  70.50  11.55  21.61 
1 1 1    1   10    7 o   23.104   2.5879   11.428  102.800 -29.22   8.90  -6.12   4.38 
1 1 1    1   10    8 o   69.927   4.1052   56.418   95.000   4.69  84.17  21.23  -1.12 
1 1 1    1   10    9 o   29.259   0.1607   20.077  173.300  -0.13   0.71   0.09   0.06 
1 1 1    1   10   10 o   52.828   1.4046   70.221 -160.6000  -7.99 -16.29   4.24  -4.18 
1 1 1    1   10   11 f   15.982   2.4357   34.489 -132.5000 -32.12  -7.70  -8.16  -3.89 
1 1 1    1   10   12 o   32.744   0.1820   30.584  122.600  -1.35  -0.60  -0.46  -0.78 
1 1 1    1   10   13 o   50.357   2.1914   66.208   48.500   2.47  52.97  18.14  -0.96 
1 1 1    1   10   14 o   14.200   1.0659   20.639   20.400   6.39  -0.43  -1.27   0.20 
1 1 1    1   10   15 o   31.913   1.0815   25.603   10.100  -1.92  12.60   6.81   2.49 
1 1 1    1   10   16 o   42.746   0.3975   58.562   70.800  -3.01   1.36  -1.67   1.43 
1 1 1    1   10   17 f   36.855   0.3281   35.742   26.800   1.09   0.37  -0.48  -0.49 
1 1 1    1   10   18 f   39.813   1.0153   36.822 -34.8000   5.49  -4.31  -0.70   2.33 
1 1 1    1   10   19 o   40.779   0.2128   25.213  113.600  -0.42  -0.37  -0.06  -0.19 
1 1 1    1   10   20 o   49.394   1.0317   45.782  115.500   0.45   5.96   1.97  -0.51 
1 1 1    1   10   21 o   45.213   0.2370   37.399 -25.6000   0.09  -0.96   2.12  -0.48 
1 1 1    1   10   22 o   87.889   0.6662   93.069   74.500 -13.35   8.26  -3.72   5.84 
1 1 1    1   10   23 o   28.268   1.9328   24.720   94.300  -1.49  16.75   3.17   0.65 
1 1 1    1   10   24 o   33.711   0.3394   25.639   77.500   0.35   0.63   0.08  -0.09 
1 1 1    1   10   25 f   66.648   0.3983   55.476 -104.7000   0.91  -0.56   0.08   0.80 
1 1 1    1   10   26 o   11.013   1.1753   5.1095 -43.0000   9.95   6.12  -1.45  -2.73 
1 1 1    1   10   27 o   11.565   1.4145   18.730   12.200  19.56   6.60  -4.87  -3.57 
1 1 1    1   10   28 o   31.880   0.4497   32.996   87.200   0.60   2.13   1.00  -0.37 
1 1 1    1   10   29 o   26.369   0.2216   20.094   94.500  -0.59   0.95   0.63   0.56 
1 1 1    1   10   30 o   11.619   0.3189   13.226   64.300   3.38   0.27  -4.77  -1.65 
1 1 1    1   10   31 o   10.668   0.7354   8.3524   37.000  -0.42   8.07   2.90   0.11 
1 1 1    1   10   32 o   12.261   1.0014   12.347 -179.1000  -6.49  -8.10   0.74  -2.58 
1 1 1    1   10   33 o   6.9748   0.4670   3.0642  109.800  -0.27   0.33   3.52  -1.52 
1 1 1    1   10   34 o   18.947   0.3560   22.511   1.2000   0.85  -2.98   2.15   0.15 
1 1 1    1   10   35 o   28.009   0.2241   24.129 -128.4000  -0.07  -0.06   0.01  -0.00 
1 1 1    1   10   36 o   20.891   0.3062   18.139 -97.0000  -0.32  -0.65  -1.23  -0.76 
1 1 1    1   10   37 f   15.415   0.2781   12.446   40.600  -0.29   1.46   0.44   0.52 
1 1 1    1   10   38 o   16.504   0.9606   12.165   42.900   5.52   0.75  -1.08  -0.09 
1 1 1    1   10   39 o   13.221   0.4344   16.056   79.200  -0.37   2.53   0.82  -0.05 
1 1 1    1   10   40 o   0.6914   1.1872   4.5183 -86.3000   0.06  -0.07   0.02   0.01 
1 1 1    1   11    0 o   13.671   0.1698   22.354 -90.5000   0.00   0.15   0.00   0.00 
1 1 1    1   11    1 o   21.548   1.5234   13.846  101.700 -10.04   9.44  -0.43   3.99 
1 1 1    1   11    2 o   13.694   0.4613   18.853  163.400  -2.98   4.43   2.33   4.58 
1 1 1    1   11    3 o   41.756   0.4674   33.104 -47.9000  -0.70  -1.46   0.30  -1.01 
1 1 1    1   11    4 o   13.470   1.4348   18.040 -158.2000 -13.76   2.54  -4.05   1.42 
1 1 1    1   11    5 o   16.638   2.5861   6.8612   80.000 -30.73  21.28  -4.00  10.00 
1 1 1    1   11    6 o   58.271   0.7457   43.547  150.300   0.47   0.88   0.42  -0.16 
1 1 1    1   11    7 o   41.729   1.0705   41.726   11.900   4.28   8.21   2.62  -2.87 
1 1 1    1   11    8 o   35.107   0.1722   45.649  161.600  -0.79  -0.43  -0.05  -0.20 
1 1 1    1   11    9 o   42.378   0.2101   42.974 -155.9000   1.90  -2.24  -2.34   4.66 
1 1 1    1   11   10 o   26.252   2.1146   15.868 -58.2000   3.55 -22.51   6.16   1.63 
1 1 1    1   11   11 o   16.865   0.3041   13.317   70.000   0.03   0.27   0.06  -0.02 
1 1 1    1   11   12 o   21.857   0.1516   4.8394 -26.2000   3.67   0.06  -5.42  -0.93 
1 1 1    1   11   13 o   35.125   0.3638   32.281 -97.7000  -2.77  -0.63  -0.83  -0.53 
1 1 1    1   11   14 o   43.048   1.1743   38.956   16.800  11.40  -7.86  -3.08   6.78 
1 1 1    1   11   15 o  102.698   1.4448  108.435  105.700   6.71  14.06   2.52  -4.07 
1 1 1    1   11   16 o   42.059   0.2500   19.833 -172.0000  -0.29   0.02  -0.29  -0.09 
1 1 1    1   11   17 f   77.770   0.6212   72.848 -10.3000   1.17   1.74   0.27  -0.42 
1 1 1    1   11   18 o   29.827   0.1813   52.806 -72.7000  -1.16  -0.39  -0.93  -0.51 
1 1 1    1   11   19 f   6.3463   1.2278   6.6067   52.000   2.18   6.27   1.57  -1.27 
1 1 1    1   11   20 o   41.425   2.3180   51.339 -10.6000  22.92  -1.67  -5.16   0.56 
1 1 1    1   11   21 o   36.751   0.2987   34.283 -105.2000   3.98  -2.38  -2.92   4.29 
1 1 1    1   11   22 o   0.0000   2.5315  ?   ?    0.02   0.03   0.00   0.00 
1 1 1    1   11   23 o   69.740   0.6116   65.466  130.900  -0.03   2.27   0.65  -0.21 
1 1 1    1   11   24 o   21.065   0.3872   21.914 -80.7000   1.38  -0.66  -0.71   0.64 
1 1 1    1   11   25 o   49.247   0.9960   42.010 -109.7000   7.78 -16.01   4.73   7.11 
1 1 1    1   11   26 o   53.280   0.7181   52.521 -134.0000   1.40  -8.87   3.65   1.85 
1 1 1    1   11   27 o   13.910   1.3321   21.950   4.3000  25.60 -16.60  -3.62   8.54 
1 1 1    1   11   28 o   26.539   0.4101   22.587 -30.1000   0.91  -2.40   0.67   0.42 
1 1 1    1   11   29 o   12.789   0.2681   16.404 -96.7000   0.21  -0.26   0.05   0.10 
1 1 1    1   11   30 o   24.627   1.3654   26.752  145.400 -34.38  -6.91 -12.82  -6.42 
1 1 1    1   11   31 f   13.685   1.0499   20.920 -66.7000   8.13  -4.30  -1.00   1.30 
1 1 1    1   11   32 o   11.556   0.5405   10.568  168.600  -2.59   1.36  -0.38   0.76 
1 1 1    1   11   33 f   9.9585   0.3257   11.993 -16.7000   0.49   0.39   0.20  -0.64 
1 1 1    1   11   34 o   11.351   0.3323   12.228   20.600   2.00  -1.53   1.63   4.46 
1 1 1    1   11   35 o   18.644   0.2473   14.652 -76.2000   0.08   0.05   0.02   0.05 
1 1 1    1   11   36 o   18.928   1.1135   16.218   58.700   9.79   4.47  -2.02  -1.72 
1 1 1    1   11   37 o   6.3005   0.8284   8.6209 -129.0000  -0.56   0.01  -0.03   0.01 
1 1 1    1   11   38 o   10.939   0.8646   11.250 -147.6000  -3.58   4.29   0.62   1.59 
1 1 1    1   11   39 o   2.8766   0.9378   1.1765  154.600   0.06   0.16   0.12   0.08 
1 1 1    1   12    0 f   3.5214   0.4163   12.257   90.100  -0.00  -0.03   0.00   0.00 
1 1 1    1   12    1 o   40.603   0.1947   34.054 -107.1000  -0.48  -0.58  -3.09  -0.55 
1 1 1    1   12    2 o   78.109   2.1925   78.178 -40.2000  12.66 -30.72   7.58   5.94 
1 1 1    1   12    3 o   56.066   0.2838   55.458 -175.3000   1.29  -1.75   4.99   1.71 
1 1 1    1   12    4 o   52.182   2.6881   42.085  127.000 -42.74  -0.46 -12.72  -1.12 
1 1 1    1   12    5 o   60.016   1.3564   58.025 -60.1000   0.30 -15.62   4.89  -0.64 
1 1 1    1   12    6 o   57.654   0.2626   66.417 -26.4000   0.65  10.82   6.61  -2.81 
1 1 1    1   12    7 o   13.927   3.0118   16.746   48.100  32.80  48.32   6.21 -14.91 
1 1 1    1   12    8 o   34.713   3.6825   33.883  120.500 -16.45 106.42  32.72  11.65 
1 1 1    1   12    9 o   30.463   0.3817   38.133 -20.7000   1.33   1.86   0.30  -2.53 
1 1 1    1   12   10 f   22.281   2.0778   17.426 -145.6000  -9.12 -33.30   8.39  -4.75 
1 1 1    1   12   11 o   9.7695   0.7483   14.047  140.000   7.91  -5.45  -1.87   4.58 
1 1 1    1   12   12 o   27.790   2.1604   17.601 -125.8000 -34.03  -4.97 -13.32  -3.65 
1 1 1    1   12   13 o   43.620   2.4951   50.429 -25.1000  10.72 -69.27  24.30   8.35 
1 1 1    1   12   14 o   44.954   1.3092   56.037 -126.0000  -8.98  -3.95  -1.81  -1.82 
1 1 1    1   12   15 o   37.230   0.1981   34.277  144.900   0.10   1.67   1.10  -0.28 
1 1 1    1   12   16 o   50.968   0.6966   48.450  141.900  -1.21   3.78   1.25   1.10 
1 1 1    1   12   17 o   30.182   0.5845   21.558   31.200   2.64  -0.27  -0.85   0.12 
1 1 1    1   12   18 o   59.089   0.9489   48.391 -55.5000   2.37  -4.35   0.59   1.26 
1 1 1    1   12   19 o   70.030   0.3138   72.086  157.500  -0.38   0.69   0.56   0.19 
1 1 1    1   12   20 o   24.207   0.7010   25.944 -114.7000  -3.67  -5.22   0.59  -1.51 
1 1 1    1   12   21 o   54.381   0.5719   43.460  173.000  -2.43  -1.26  -0.42  -0.90 
1 1 1    1   12   22 f   39.550   0.8626   29.117  144.000  -6.62   0.38  -2.23   0.45 
1 1 1    1   12   23 o   29.391   0.2335   22.169  -3.9000  -0.21  -0.08   1.39   0.44 
1 1 1    1   12   24 o   22.593   1.0508   25.325 -115.8000 -23.72   6.36  -9.97   6.16 
1 1 1    1   12   25 o   32.571   0.2303   49.765 -148.2000  -1.33   0.95   0.05   2.05 
1 1 1    1   12   26 f   17.301   0.7940   6.7528 -15.7000   7.86  11.11   1.54  -5.00 
1 1 1    1   12   27 o   43.681   0.8365   31.395  148.500 -13.62  -5.53  -4.74  -6.34 
1 1 1    1   12   28 f   21.144   0.4344   14.469 -64.3000   0.73  -1.75   0.21   0.17 
1 1 1    1   12   29 o   13.413   1.3183   6.8135 -120.0000  -5.27 -29.71  11.41  -4.63 
1 1 1    1   12   30 o   5.2542   0.6690   6.9976   57.800  -0.28   1.10   0.14   0.09 
1 1 1    1   12   31 o   13.772   1.1103   10.353   62.400   1.54  17.32   4.77  -0.56 
1 1 1    1   12   32 o   11.691   1.3691   10.103 -146.2000 -18.86 -15.40  -1.05  -6.73 
1 1 1    1   12   33 o   14.901   0.6411   16.634 -36.1000   5.57   0.36  -1.88   0.15 
1 1 1    1   12   34 o   24.789   0.5388   21.462  -4.1000   1.42  -4.78   2.51   0.55 
1 1 1    1   12   35 o   15.028   0.5975   16.240 -112.3000   0.16  -3.52   1.67  -0.32 
1 1 1    1   12   36 o   16.331   0.2768   16.020 -96.9000   4.42  -2.39  -2.54   1.95 
1 1 1    1   12   37 o   13.576   0.3327   16.816 -151.6000   0.78  -0.60  -0.05   0.09 
1 1 1    1   12   38 o   4.6975   0.8511   3.2438 -179.5000  -0.61   0.46  -0.04   0.07 
1 1 1    1   12   39 o   6.5902   1.2438   4.4686 -147.7000   0.01  -1.66   0.15   0.03 
1 1 1    1   13    0 o   36.661   0.2519   31.356   88.900   0.00   0.60   0.00   0.00 
1 1 1    1   13    1 f   49.157   1.0792   16.247   94.900   2.26   6.44   1.59  -0.84 
1 1 1    1   13    2 o   26.804   1.7878   38.643 -124.7000 -31.56  21.11  -5.51  15.73 
1 1 1    1   13    3 f   37.410   2.0039   54.174 -99.4000  30.28 -24.17  -4.97  16.08 
1 1 1    1   13    4 o   32.307   2.4434   41.022   29.700 -10.42  44.25  13.00   7.36 
1 1 1    1   13    5 o   25.052   1.0445   25.184   63.200   3.38   3.95   0.06  -0.81 
1 1 1    1   13    6 o   66.177   0.7521   48.298 -126.8000  -3.04  -4.85   0.21  -0.95 
1 1 1    1   13    7 o   34.304   2.3654   37.764 -39.9000  42.20   9.21 -11.18  -5.51 
1 1 1    1   13    8 o   5.6467   0.4964   17.322 -75.5000  -1.55  -1.53  -0.03  -0.84 
1 1 1    1   13    9 o   50.341   1.7214   54.770 -120.6000 -34.69  13.22 -11.89  11.92 
1 1 1    1   13   10 o   28.365   1.6564   7.0468 -56.7000   6.39 -14.19   2.47   2.65 
1 1 1    1   13   11 o   17.789   1.5422   19.652 -26.8000  10.82  -9.76  -0.33   3.86 
1 1 1    1   13   12 o   78.008   1.5066   87.322  151.000  -2.68   9.39   1.07   0.78 
1 1 1    1   13   13 o  120.129   0.4821  114.001 -71.2000  10.70   1.46  -7.73  -4.20 
1 1 1    1   13   14 o   12.579   1.4168   12.276 -31.7000   8.51  -9.78   0.46   3.11 
1 1 1    1   13   15 o   32.072   0.7713   34.139  121.400  -3.78   1.31  -0.79   0.69 
1 1 1    1   13   16 o   13.016   0.2025   18.801 -79.9000  -0.17   0.20  -0.04   0.47 
1 1 1    1   13   17 o   10.887   0.2557   28.267  117.000   0.17  -0.27   0.40   0.48 
1 1 1    1   13   18 o   38.413   0.6174   45.162   75.700   4.09   0.37  -2.11  -0.11 
1 1 1    1   13   19 o   28.960   0.3313   37.311  173.500  -3.18  -7.01   4.98  -5.04 
1 1 1    1   13   20 o   0.0000   2.3571  ?   ?   -0.01  -0.02   0.00   0.00 
1 1 1    1   13   21 o   46.032   1.1517   36.165   88.100  -2.97   9.38   2.02   1.65 
1 1 1    1   13   22 o   0.0000   2.4593  ?   ?    0.11  -0.05  -0.04   0.09 
1 1 1    1   13   23 o   31.634   1.7039   27.486  116.700 -21.67  22.37   0.04   7.33 
1 1 1    1   13   24 o   23.558   1.3289   17.903 -106.7000   5.54 -23.86   6.17   3.28 
1 1 1    1   13   25 o   60.707   1.5481   49.709 -144.6000 -23.62 -10.82  -4.32  -6.03 
1 1 1    1   13   26 o   27.231   0.6177   38.107  161.000  -4.85   8.88   3.37   4.36 
1 1 1    1   13   27 o   6.5722   0.4750   7.2467 -89.9000  -0.05   0.10   0.02   0.07 
1 1 1    1   13   28 o   29.762   0.8788   30.265   1.1000   5.22 -14.72   5.02   3.30 
1 1 1    1   13   29 o   17.493   0.5500   10.593 -32.2000   4.35  -1.96  -0.58   0.80 
1 1 1    1   13   30 o   10.667   0.6902   12.883  115.600  -0.25   9.14   4.18  -0.11 
1 1 1    1   13   31 o   5.6677   0.5789   8.8778 -132.2000  -1.90  -1.86   0.10  -1.05 
1 1 1    1   13   32 o   5.6118   0.5475   7.0970 -124.2000  -1.37   0.81  -0.40   2.44 
1 1 1    1   13   33 o   11.053   0.5955   4.1284   55.000   1.00   1.33   0.02  -0.25 
1 1 1    1   13   34 o   12.187   0.9533   5.8572 -73.3000  -2.20  -9.89   2.25  -1.36 
1 1 1    1   13   35 o   8.2625   0.7074   13.866   36.600   2.46   3.61   0.64  -1.07 
1 1 1    1   13   36 o   30.625   0.2389   26.863   71.500  -0.45  -0.41   0.22  -0.09 
1 1 1    1   13   37 o   2.4207   1.1676   0.4748  176.600   0.18  -0.28   0.01   0.04 
1 1 1    1   13   38 o   7.3135   1.1647   5.2244   72.200   0.33   2.92   0.42  -0.19 
1 1 1    1   14    0 o   4.8785   0.3968   11.802 -85.8000  -0.00  -0.00   0.00   0.00 
1 1 1    1   14    1 o   24.985   2.0191   21.839 -128.5000 -24.59 -20.13  -1.76  -7.81 
1 1 1    1   14    2 o   80.545   1.5711   74.153 -31.9000  12.05 -10.04  -0.25   3.81 
1 1 1    1   14    3 o   20.136   0.7253   28.254 -136.1000  -4.70  -2.11  -1.02  -1.04 
1 1 1    1   14    4 o   40.623   0.9130   53.397  131.000  11.33  20.97  10.32 -19.11 
1 1 1    1   14    5 o   21.996   2.4817   6.6223 -114.8000 -47.05 -16.65 -11.39  -9.54 
1 1 1    1   14    6 o   42.284   3.1662   42.569 -40.2000  64.30 -19.70 -15.20   9.67 
1 1 1    1   14    7 f   74.821   1.1202   66.385   75.500   2.37  10.09   2.44  -1.69 
1 1 1    1   14    8 o   24.544   0.6246   24.200  134.100   2.50   5.26   2.72  -2.94 
1 1 1    1   14    9 f   13.721   0.6952   9.1550   62.700   4.50   6.23   1.36  -4.56 
1 1 1    1   14   10 o   38.124   0.5154   21.178 -42.3000   5.90   5.72  -2.42 -14.19 
1 1 1    1   14   11 o   66.910   2.4013   71.249   4.0000  22.36 -41.31  14.18  19.85 
1 1 1    1   14   12 o   12.469   0.5185   13.976 -37.7000   1.04   0.90  -0.03  -0.22 
1 1 1    1   14   13 o   25.021   0.2387   18.363   52.200   0.42   0.37  -0.19  -0.57 
1 1 1    1   14   14 o   20.284   0.4366   24.386 -127.3000  -3.52  -2.96  -0.46  -3.82 
1 1 1    1   14   15 f  109.349   1.1306   96.114  174.400  -4.23   3.43  -0.36   0.94 
1 1 1    1   14   16 o   62.138   0.2838   57.337  102.900   3.14   1.12  -1.19  -1.66 
1 1 1    1   14   17 o   36.363   0.4446   25.936 -135.8000  -1.80   1.44   0.02   2.39 
1 1 1    1   14   18 o   27.571   1.5254   19.991  169.000 -26.29  14.95  -4.59   8.03 
1 1 1    1   14   19 o   31.470   0.3948   33.624 -32.1000  -1.11  -1.95   0.51  -0.67 
1 1 1    1   14   20 o   54.343   1.0930   37.590 -141.6000   3.67 -10.42   5.43   3.37 
1 1 1    1   14   21 o   27.744   1.3093   42.594  109.800  12.27   9.35  -1.94  -5.74 
1 1 1    1   14   22 o   71.731   0.5413   51.630   72.100   3.61   1.76  -0.59  -1.31 
1 1 1    1   14   23 o   45.673   1.1012   50.597  -3.2000  18.36  12.89  -1.77  -6.24 
1 1 1    1   14   24 o   46.258   0.2580   43.036  176.200   0.52   1.20   2.76   0.04 
1 1 1    1   14   25 o   35.408   1.7032   33.443 -134.2000 -39.29 -29.70  -4.55 -13.92 
1 1 1    1   14   26 f   49.909   0.7227   40.277  103.100 -10.67   0.17  -5.10  -0.96 
1 1 1    1   14   27 o   24.170   0.9457   22.086   68.400   9.03   9.39  -0.26  -5.09 
1 1 1    1   14   28 f   15.064   0.6787   20.650 -134.8000  -6.24  -0.38  -2.40  -0.03 
1 1 1    1   14   29 o   34.166   0.2356   32.188 -94.6000  -0.19  -1.10  -4.20  -1.16 
1 1 1    1   14   30 f   10.785   0.8995   4.2677 -24.7000 -12.60  -7.69  -3.10  -5.11 
1 1 1    1   14   31 o   32.234   1.6177   26.033  153.300 -30.97  32.53   1.35  10.50 
1 1 1    1   14   32 o   7.7620   1.2111   12.186 -148.0000  -3.62  -5.88   0.78  -1.22 
1 1 1    1   14   33 o   33.211   0.2380   32.866 -119.5000  -1.69   0.86  -1.42  -0.18 
1 1 1    1   14   34 o   14.963   0.2655   12.352   31.500   0.57   0.50   1.82   3.27 
1 1 1    1   14   35 o   5.4756   0.6393   7.0204 -177.7000   0.25  -0.45   0.18   0.10 
1 1 1    1   14   36 o   5.5488   1.2156   3.4179   82.200  -1.09   3.71   0.72   0.34 
1 1 1    1   14   37 o   9.5642   0.8133   10.284 -140.7000  -2.84  -3.61   0.05  -1.04 
1 1 1    1   14   38 o   16.109   0.8543   15.928  158.900  -3.14  -1.03  -0.23  -0.31 
1 1 1    1   15    0 o   22.654   0.2164   43.061   91.000   0.00   0.10   0.00   0.00 
1 1 1    1   15    1 o   34.274   1.5328   36.928 -97.3000 -25.12  -8.50  -7.97  -5.57 
1 1 1    1   15    2 f   23.283   0.7415   19.240 -178.9000 -14.56  11.21  -2.68  12.46 
1 1 1    1   15    3 o   56.603   1.7023   58.463  146.300   6.56  51.30  29.07  -9.71 
1 1 1    1   15    4 o   26.444   2.5222   19.385   90.600 -25.27  33.09   2.69  10.54 
1 1 1    1   15    5 o   81.916   2.3237   72.734   35.800  42.16   1.63 -11.40  -0.22 
1 1 1    1   15    6 o   41.900   0.8306   34.725 -177.6000  -1.25  -4.73   2.21  -0.97 
1 1 1    1   15    7 o   66.981   0.9338   51.375   66.200  -0.40   7.85   3.63   0.90 
1 1 1    1   15    8 o   62.963   1.5273   76.770 -85.2000   0.68 -12.46   3.56   0.68 
1 1 1    1   15    9 o   51.424   1.2364   65.269 -165.0000  -7.88  -9.37   0.94  -4.13 
1 1 1    1   15   10 o   40.379   0.5226   49.556 -45.5000   0.96   0.98  -0.21  -1.28 
1 1 1    1   15   11 o   22.219   0.6314   15.798 -88.1000  13.83   2.49 -25.73  -8.25 
1 1 1    1   15   12 o   72.926   0.9015   71.063  131.800  -1.31   2.51   1.20   1.07 
1 1 1    1   15   13 o   53.388   0.9530   52.878 -151.0000  -3.98  -2.83  -0.63  -1.40 
1 1 1    1   15   14 o   45.283   0.6358   49.373 -72.0000  -1.00  -1.04  -0.11  -0.57 
1 1 1    1   15   15 f   25.730   0.2273   21.331   5.9000   1.96   2.43   2.27  -5.29 
1 1 1    1   15   16 o   4.3952   0.6361   14.233 -81.7000   0.73   0.98   0.29  -0.84 
1 1 1    1   15   17 o   22.251   0.9977   18.970 -157.2000 -19.38   9.70  -6.83   8.70 
1 1 1    1   15   18 o   36.690   1.9760   31.607   79.300  23.76  13.33  -4.20  -6.36 
1 1 1    1   15   19 o   31.273   0.3513   11.427  150.700  -0.55   0.13  -0.58   1.60 
1 1 1    1   15   20 o   83.852   0.7644   81.883 -133.4000  -2.86  -0.25  -1.97   1.02 
1 1 1    1   15   21 o   19.863   2.0292   14.099 -122.2000 -28.31 -33.44   1.68 -11.07 
1 1 1    1   15   22 o   49.445   0.3341   56.968   26.600   2.12  -1.16   2.43   8.24 
1 1 1    1   15   23 o   63.096   1.3053   63.601 -67.4000  -5.67 -10.34   1.73  -4.09 
1 1 1    1   15   24 o   17.940   1.2027   22.929 -72.0000   5.44 -22.53   3.78   2.05 
1 1 1    1   15   25 o   54.357   0.4798   51.137 -158.2000  -1.57  -7.24   2.41  -0.46 
1 1 1    1   15   26 o   24.737   1.2082   19.041 -149.9000 -17.74  -4.39  -5.18  -2.28 
1 1 1    1   15   27 o   11.518   1.2914   3.9636 -157.6000  29.42  -0.49  -9.78  -0.03 
1 1 1    1   15   28 o   11.633   0.6574   20.655 -13.0000   3.31 -10.45   9.63   5.09 
1 1 1    1   15   29 o   18.221   0.5034   24.482 -23.3000  -3.63  -8.89   5.38  -8.21 
1 1 1    1   15   30 o   7.8871   0.4125   4.9680 -174.7000   0.19  -1.32   1.21   0.92 
1 1 1    1   15   31 f   13.042   0.5530   5.7582 -131.7000  -4.88  -2.42  -0.96  -2.19 
1 1 1    1   15   32 o   12.486   0.3802   15.356  125.200   0.04   1.71   0.76  -0.34 
1 1 1    1   15   33 o   5.3506   1.1931   5.8625 -161.8000  -0.66  -4.73   1.19  -0.20 
1 1 1    1   15   34 o   18.624   0.2557   16.810 -132.0000   0.26   3.08   1.28   0.30 
1 1 1    1   15   35 o   8.6144   0.4459   7.6951   49.500   1.39   1.36   0.21  -0.73 
1 1 1    1   15   36 f   20.374   0.3536   14.056  121.500  -0.51   0.30   0.03   0.10 
1 1 1    1   15   37 f   5.0361   0.7529   5.4992 -10.9000   0.71   0.42  -0.24  -0.12 
1 1 1    1   16    0 o   18.724   0.2321   7.2730 -89.7000  -0.00  -0.16   0.00   0.00 
1 1 1    1   16    1 o   63.874   2.2832   58.032 -104.4000  18.56 -36.66   8.16  12.41 
1 1 1    1   16    2 o   38.097   0.9762   30.965 -95.0000  -7.09  -7.39  -0.07  -3.80 
1 1 1    1   16    3 f   23.298   1.4596   35.545 -65.8000   7.49 -13.70   2.15   3.53 
1 1 1    1   16    4 o   28.628   0.4655   24.785   48.400   3.13  -1.08  -0.95   0.87 
1 1 1    1   16    5 o   49.664   2.1615   46.910   39.500  65.81 -15.70 -25.43  13.62 
1 1 1    1   16    6 o   69.455   1.4108   59.501  -7.0000  12.14  14.44   3.96 -14.69 
1 1 1    1   16    7 o   76.263   0.8832   58.119   1.6000   3.68  -1.76  -1.04   0.97 
1 1 1    1   16    8 o   86.258   0.4927   66.103  114.800   4.06   3.10  -0.82  -1.81 
1 1 1    1   16    9 o   68.595   0.6271   80.123 -128.6000 -10.28   1.44 -11.53   5.24 
1 1 1    1   16   10 o   19.274   0.6519   29.509  103.800   2.09   2.66   0.16  -0.78 
1 1 1    1   16   11 o   77.285   2.5807   62.798 -42.2000  23.02 -26.91   2.01   9.61 
1 1 1    1   16   12 o   26.802   1.4832   34.596 -58.5000 -15.63 -22.32   4.22 -13.03 
1 1 1    1   16   13 o   29.455   1.6528   25.167   62.500   6.68  15.39   3.17  -3.65 
1 1 1    1   16   14 o   82.973   1.9585   70.680 -170.7000 -17.25  -2.39  -4.01  -1.63 
1 1 1    1   16   15 f   18.163   1.4007   12.679 -94.9000  16.70 -18.40   0.71   6.54 
1 1 1    1   16   16 o   16.715   0.3115   20.138  -8.3000   1.61  -2.59   1.04   1.85 
1 1 1    1   16   17 f   29.980   0.7773   36.501 -22.7000  -3.87  -8.69   4.00  -5.21 
1 1 1    1   16   18 o   66.676   0.6792   46.921  149.900  -2.81  -1.64  -0.22  -0.98 
1 1 1    1   16   19 o   58.179   1.8805   56.045 -26.5000   1.04 -22.39  10.19  -0.25 
1 1 1    1   16   20 o   48.151   1.6533   46.010 -159.9000 -40.25   1.91  -9.56   0.53 
1 1 1    1   16   21 o   19.653   0.9463   7.2016 -62.6000 -12.12 -10.80  -0.39  -5.00 
1 1 1    1   16   22 o   10.195   0.3315   6.2807 -173.7000  -0.13   4.09  10.99  -0.82 
1 1 1    1   16   23 o   5.6281   0.5087   9.0891   76.900  -3.12  -2.83  -1.15  -6.04 
1 1 1    1   16   24 o   10.482   0.6448   19.554 -155.3000  -3.00  -2.81  -0.19  -1.41 
1 1 1    1   16   25 o   37.485   0.7181   38.592 -99.5000   3.44 -11.92   2.12   1.70 
1 1 1    1   16   26 o   8.7807   1.3264   7.4716   46.000   6.92   0.96  -0.89  -0.21 
1 1 1    1   16   27 o   12.959   1.9489   16.091   48.900  40.00  19.25  -7.88  -9.26 
1 1 1    1   16   28 o   17.396   0.2398   22.996 -142.0000  -0.65  -1.10   2.28  -0.85 
1 1 1    1   16   29 o   13.437   0.8768   10.034 -103.5000  -1.22  -8.53   2.11  -0.84 
1 1 1    1   16   30 f   7.5826   0.9736   9.8364 -75.7000  -1.44  -5.08   0.76  -0.55 
1 1 1    1   16   31 o   15.219   0.5564   16.691   56.700  10.00  -8.48  -2.71   7.12 
1 1 1    1   16   32 o   10.920   0.8346   14.231 -96.0000  -4.14  -9.03   1.74  -1.65 
1 1 1    1   16   33 o   16.589   0.3648   19.642 -132.2000   1.39  -1.75   0.27   0.43 
1 1 1    1   16   34 o   10.584   0.3741   1.4955 -165.3000  -1.07  -0.88  -0.38  -0.51 
1 1 1    1   16   35 o   21.173   0.3363   19.707  142.500   0.09   4.25   2.80  -2.58 
1 1 1    1   16   36 o   13.538   0.5347   8.3550 -37.9000   2.30  -0.69  -0.40   0.11 
1 1 1    1   16   37 o   3.1431   1.4813   4.5696 -87.3000   0.64  -0.11  -0.06   0.00 
1 1 1    1   17    0 o   43.744   0.3144   43.081   89.900   0.00   0.13   0.00   0.00 
1 1 1    1   17    1 o   14.126   0.9678   21.437 -80.7000 -21.02 -17.78  -4.73 -25.62 
1 1 1    1   17    2 o   43.675   0.2110   47.122  147.400  -0.55  -0.20   1.67  -5.83 
1 1 1    1   17    3 o   56.032   1.8655   55.780  143.600 -25.68 -29.68   4.48 -23.62 
1 1 1    1   17    4 o   37.690   0.1948   18.362 -45.3000   0.99   0.34  -0.55  -0.30 
1 1 1    1   17    5 o   31.572   0.1791   37.853   36.200   0.47  -0.84   3.28   2.37 
1 1 1    1   17    6 o   61.250   0.8178   62.960 -149.5000  -4.30   7.69   2.19   2.90 
1 1 1    1   17    7 o   20.016   2.9329   30.581   53.200  35.92  57.57   7.40 -14.83 
1 1 1    1   17    8 o   79.280   1.0748   77.372 -33.9000   7.62  -4.45  -1.54   2.13 
1 1 1    1   17    9 o   82.012   0.3474   78.584  161.100  -0.58   1.97   0.51   0.18 
1 1 1    1   17   10 o   6.5687   1.3872   7.5519 -65.8000   1.65  -8.28   2.43   0.97 
1 1 1    1   17   11 o   37.511   0.4715   24.467  139.300   0.63   5.08   3.45  -1.42 
1 1 1    1   17   12 o   28.180   0.4634   8.6751   37.100   1.47   4.52   4.56  -4.53 
1 1 1    1   17   13 o   14.581   0.2691   8.6152 -122.6000  -0.49  -0.45  -0.00  -0.22 
1 1 1    1   17   14 o   20.553   1.9668   28.352 -66.0000  27.07 -52.02   9.24  13.47 
1 1 1    1   17   15 o   39.432   0.4440   37.299   88.900   0.89   1.09   0.46  -0.88 
1 1 1    1   17   16 o   30.502   0.3991   32.471 -23.3000  -0.85  -2.03   1.26  -2.09 
1 1 1    1   17   17 o   39.528   1.5424   34.394  171.300 -25.19  -8.69  -7.24  -6.46 
1 1 1    1   17   18 o   49.537   1.1246   49.161 -72.2000   3.46 -11.86   2.08   1.61 
1 1 1    1   17   19 o   29.691   1.4490   40.321 -89.0000  23.66 -21.85  -0.90   8.28 
1 1 1    1   17   20 o   7.2097   1.1866   12.131 -142.7000 -11.04  -0.03  -4.44   0.09 
1 1 1    1   17   21 o   15.220   0.2434   25.259  106.600  -0.02  -0.37   0.10  -0.03 
1 1 1    1   17   22 o   26.031   0.3880   34.560   5.5000   3.31 -11.03  13.26   6.45 
1 1 1    1   17   23 o   41.300   0.3100   43.566 -23.6000   0.46   0.01   1.11   0.15 
1 1 1    1   17   24 o   13.047   0.7493   11.761 -23.6000   5.15   3.02  -0.99  -1.50 
1 1 1    1   17   25 f   11.731   1.1609   10.711  123.100   6.04  19.68   6.42  -4.88 
1 1 1    1   17   26 o   20.908   0.2094   12.315  130.000  -0.28   0.07   0.49  -0.68 
1 1 1    1   17   27 o   23.342   0.2187   21.520 -72.8000  -1.32  -3.67   1.89  -0.82 
1 1 1    1   17   28 o   7.7513   0.4436   8.9700   47.000   1.15  -0.33  -0.62   0.79 
1 1 1    1   17   29 f   14.961   0.6365   9.6657   8.5000  -2.11 -16.53  10.38  -4.12 
1 1 1    1   17   30 o   7.4024   0.4356   8.6088 -93.4000   0.62   0.42  -0.01  -0.10 
1 1 1    1   17   31 o   9.2193   0.3846   11.959 -168.2000  -0.29  -0.14   0.01  -0.16 
1 1 1    1   17   32 o   18.586   0.6924   20.614  105.000  -1.43   9.78   2.05   0.98 
1 1 1    1   17   33 o   10.957   0.7461   9.2490  152.800  -3.82   5.11   0.70   1.44 
1 1 1    1   17   34 o   8.8634   0.5903   8.1111 -103.2000   1.47  -1.35   0.06   0.35 
1 1 1    1   17   35 o   0.0000   2.5040  ?   ?    0.07  -0.18   0.06  -0.34 
1 1 1    1   17   36 o   9.9202   0.4819   7.9950 -173.6000  -1.55  -0.65  -0.09  -0.49 
1 1 1    1   18    0 o   26.842   0.2802   36.369 -89.5000  -0.00  -0.05   0.00   0.00 
1 1 1    1   18    1 o   77.754   0.3561   67.132 -71.0000  -9.37  -5.25  -8.01  -8.72 
1 1 1    1   18    2 o   27.391   1.4618   18.654 -147.5000  -9.38 -14.29   2.42  -5.19 
1 1 1    1   18    3 o   50.190   2.7611   32.863 -123.1000 -51.36 -38.10  -5.21 -15.86 
1 1 1    1   18    4 o   52.278   0.2401   59.149 -137.1000  -0.27   0.54   0.11   0.09 
1 1 1    1   18    5 f   34.104   0.2184   26.273 -139.6000  -0.91   0.70  -4.28   4.39 
1 1 1    1   18    6 o   30.025   2.6772   27.903   13.200  32.61  13.85  -4.18  -4.46 
1 1 1    1   18    7 o   6.2626   1.1340   6.7083 -121.1000  -5.74   6.19   0.31   3.31 
1 1 1    1   18    8 f   37.784   1.9558   34.563  178.700 -24.88  -9.73  -6.21  -6.26 
1 1 1    1   18    9 o   60.031   1.2939   49.335 -122.8000 -14.76   3.30  -5.66   3.49 
1 1 1    1   18   10 o   6.1746   2.0419   18.719 -106.7000   4.17  -3.06  -0.23   0.70 
1 1 1    1   18   11 f   25.899   0.7487   43.476   37.000  -6.80  18.34   9.55   8.76 
1 1 1    1   18   12 o   62.203   1.3832   55.584 -37.4000  23.85  14.31  -5.63 -12.43 
1 1 1    1   18   13 o   40.269   0.4522   45.555 -160.1000  -3.14   5.68   8.32   8.44 
1 1 1    1   18   14 o   22.540   1.4354   3.2381  107.700  16.19  13.56  -1.70  -7.91 
1 1 1    1   18   15 o   18.937   1.1385   9.6947   55.900  -7.97   2.33  -1.94   1.39 
1 1 1    1   18   16 o   27.038   1.0983   26.993 -78.5000  -0.91  -4.41   0.95  -0.31 
1 1 1    1   18   17 o   40.044   0.2319   32.729 -93.8000   3.25  -1.44  -3.08   2.07 
1 1 1    1   18   18 o   10.682   1.5148   18.021 -99.3000 -17.90 -11.83  -2.47  -5.55 
1 1 1    1   18   19 o   60.559   1.6093   46.838 -139.8000 -10.75 -21.48   2.61  -2.95 
1 1 1    1   18   20 o   12.147   0.5955   12.433   10.400  -1.94   3.97   0.64   0.92 
1 1 1    1   18   21 o   21.466   2.0533   16.357  100.300  74.15 103.55  12.51 -38.89 
1 1 1    1   18   22 o   23.770   0.2041   18.210 -36.6000   1.52   1.77  -1.38  -4.34 
1 1 1    1   18   23 o   29.714   2.1018   32.643   73.600  16.90  78.61  16.80  -6.84 
1 1 1    1   18   24 o   43.308   0.7540   37.648   61.600   9.67   9.66   0.64  -3.36 
1 1 1    1   18   25 f   9.9125   0.8048   16.066   5.6000   3.41  -4.70   0.27   1.05 
1 1 1    1   18   26 o   14.157   0.2589   19.303   45.400   0.02  -0.01  -0.00  -0.00 
1 1 1    1   18   27 o   20.839   0.9683   20.612   2.1000  10.48   0.70  -4.13   0.10 
1 1 1    1   18   28 o   8.1111   0.5388   10.888  162.900  -2.31  -4.14   1.07  -1.33 
1 1 1    1   18   29 o   11.925   0.9313   3.6818  171.800   4.38 -14.48   5.50   2.65 
1 1 1    1   18   30 o   13.186   0.2823   16.347   29.200   1.88  -1.87   0.80   1.83 
1 1 1    1   18   31 o   22.692   0.3736   17.886   7.7000   3.79  -6.03   0.40   1.91 
1 1 1    1   18   32 o   12.145   0.3232   13.945 -17.5000  -0.10  -0.74   0.16  -0.20 
1 1 1    1   18   33 o   7.6053   0.9410   8.7584 -54.4000   5.10  -3.60  -0.33   1.76 
1 1 1    1   18   34 o   5.3000   0.7233   4.0281   97.700   0.98  -0.50  -0.34   0.16 
1 1 1    1   18   35 o   10.546   0.4403   11.681  111.400  -1.91   0.39  -0.84  -0.26 
1 1 1    1   19    0 o   34.546   0.2557   38.513   89.700  -0.00  -0.27   0.00   0.00 
1 1 1    1   19    1 o   28.676   1.9260   36.682 -26.0000  38.23  30.22  -4.51 -21.87 
1 1 1    1   19    2 o   32.755   1.4887   46.143   88.900  11.92  14.45   1.25  -5.24 
1 1 1    1   19    3 o   12.120   0.4762   14.280   90.400  -1.86  -2.29   0.58  -2.04 
1 1 1    1   19    4 o   51.447   1.1468   52.034 -19.5000  11.86   7.17  -2.90  -7.56 
1 1 1    1   19    5 o   27.610   1.6815   31.235 -27.7000  17.11   2.12  -4.51  -1.31 
1 1 1    1   19    6 o   81.410   0.9761   79.043   87.200  10.59   4.47  -5.24  -3.48 
1 1 1    1   19    7 f   48.377   0.2849   60.838 -109.0000  -8.05  -1.99  -3.24  -1.38 
1 1 1    1   19    8 o   51.133   0.2876   62.250  110.600   2.82   2.23  -0.17  -0.54 
1 1 1    1   19    9 o   37.387   0.2168   27.630  105.500   1.39   0.89  -0.71  -1.01 
1 1 1    1   19   10 o   58.260   2.8820   32.552   81.800  22.68  53.04  10.95 -10.53 
1 1 1    1   19   11 o   23.305   1.1862   24.506   95.800   8.53   1.41  -2.07  -0.81 
1 1 1    1   19   12 o   36.205   0.3356   18.981   0.6000   1.85   2.91   0.60  -2.32 
1 1 1    1   19   13 o   28.068   0.9571   19.222   30.000   3.20   1.90  -0.41  -1.02 
1 1 1    1   19   14 o   35.445   0.4167   29.118 -149.8000   0.16  -2.24   0.83   0.31 
1 1 1    1   19   15 o   42.292   0.6312   36.417 -83.2000   5.58  -1.93  -2.03   1.21 
1 1 1    1   19   16 o   46.397   1.4734   53.554  -5.1000  24.07 -61.10  29.41  24.72 
1 1 1    1   19   17 o   25.936   1.1553   17.412 -54.6000  -5.51 -10.89   2.17  -2.61 
1 1 1    1   19   18 o   19.783   1.7231   14.421   15.100  30.92  20.20  -3.34  -7.17 
1 1 1    1   19   19 o   22.741   0.2415   37.280 -152.5000  -6.50   7.19   2.64  11.16 
1 1 1    1   19   20 o   40.720   1.0311   35.943  113.000  22.61  22.41  -2.05 -16.25 
1 1 1    1   19   21 o   34.002   1.1419   33.665   91.000  30.48  14.22  -7.91  -8.11 
1 1 1    1   19   22 o   12.330   0.3594   7.1081  149.800  -2.20  -1.22  -0.33  -0.43 
1 1 1    1   19   23 o   1.9145   1.0698   5.7584   35.200   0.45  -1.16   0.57   0.37 
1 1 1    1   19   24 o   20.394   0.2282   18.889 -44.2000  -2.02  -1.32  -1.26  -1.21 
1 1 1    1   19   25 f   9.0595   0.6773   17.586   73.300   0.17   3.16   0.54  -0.11 
1 1 1    1   19   26 o   6.8209   0.7411   7.7079  172.000  -1.25   1.16   0.00   0.17 
1 1 1    1   19   27 o   17.154   0.6747   16.031 -136.1000  -6.22  -7.75   1.00  -2.79 
1 1 1    1   19   28 o   3.4119   1.1841   4.1064   31.700  -0.62   1.47   0.32   0.23 
1 1 1    1   19   29 o   6.8479   0.4814   3.9049   74.000   0.59  -0.89   0.74   0.54 
1 1 1    1   19   30 o   4.6024   0.6851   7.3308 -13.9000   0.28   0.01  -0.04  -0.02 
1 1 1    1   19   31 o   23.500   0.2304   21.282 -177.1000  -0.88  -0.24   0.95  -0.52 
1 1 1    1   19   32 o   5.6449   0.8993   7.4455  154.100   0.42  -0.71   0.05   0.05 
1 1 1    1   19   33 o   18.552   0.2732   17.249  137.500  -1.17  -0.09   0.26  -1.30 
1 1 1    1   19   34 f   9.2769   0.5350   13.747 -85.6000   0.83  -3.20   0.67   0.76 
1 1 1    1   20    0 o   0.0000   3.7947   18.288   90.600   0.00   0.00   0.00   0.00 
1 1 1    1   20    1 o   21.825   0.7069   19.932  151.700  -7.41   3.98  -1.61   2.62 
1 1 1    1   20    2 o   55.904   0.8699   56.225 -91.6000 -20.69  -5.33  -8.99  -5.80 
1 1 1    1   20    3 o   71.323   0.7931   60.288  129.100  -2.86   2.42  -0.32   0.91 
1 1 1    1   20    4 o   56.694   0.2747   86.445 -94.4000  -0.83  -0.25  -2.23   0.54 
1 1 1    1   20    5 o   26.113   0.3971   22.728  -6.0000   4.69   1.67  -2.08  -1.48 
1 1 1    1   20    6 o   62.227   1.5869   51.672 -95.7000   6.92 -18.77   3.06   2.90 
1 1 1    1   20    7 o   0.0000   2.4442  ?   ?   -0.14  -0.17   0.02  -0.13 
1 1 1    1   20    8 o   29.851   2.5607   20.116  -2.5000  63.83  10.13 -14.73  -4.48 
1 1 1    1   20    9 o   48.863   0.4840   46.125 -147.2000  -0.29  -0.23   0.60  -0.28 
1 1 1    1   20   10 o   32.228   1.5636   45.899 -24.4000   9.43  -5.94  -1.36   2.35 
1 1 1    1   20   11 f   35.919   1.4229   24.755   75.800  -3.19  15.40   4.55   2.41 
1 1 1    1   20   12 o   37.714   1.5052   28.210 -31.7000  11.25  -2.72  -3.69   1.46 
1 1 1    1   20   13 o   14.258   0.5424   10.430  140.300  -0.97   9.69   5.43   0.85 
1 1 1    1   20   14 o   8.5453   1.8798   4.3870 -165.1000 -17.40  -1.67  -3.83  -0.79 
1 1 1    1   20   15 o   18.411   0.3621   20.318   90.200  -0.99   1.58   0.11   0.30 
1 1 1    1   20   16 o   29.116   0.2820   26.755 -143.0000   0.70  -2.91   1.10   0.82 
1 1 1    1   20   17 o   35.512   0.6479   33.224 -128.7000   6.47 -11.19   3.73   5.01 
1 1 1    1   20   18 o   17.957   1.4862   22.590 -100.5000 -78.93 -25.24 -30.44 -20.62 
1 1 1    1   20   19 o   34.200   0.2235   47.111 -136.8000  -1.29   0.26  -0.56   2.20 
1 1 1    1   20   20 o   13.994   0.6808   17.938 -47.1000   2.04  -1.79  -0.07   0.33 
1 1 1    1   20   21 o   15.048   0.5521   18.923   99.000  -0.95   2.72   0.30   0.20 
1 1 1    1   20   22 f   14.731   0.3477   2.5897 -106.2000  -2.52   1.25  -3.67   2.13 
1 1 1    1   20   23 o   11.395   0.4334   3.9172 -43.9000   1.97  -5.41   2.39   1.47 
1 1 1    1   20   24 o   15.805   0.8774   9.8849   71.800  10.77   8.74  -0.49  -5.54 
1 1 1    1   20   25 o   10.358   0.5562   13.282  134.800  -3.39   4.93   1.59   2.74 
1 1 1    1   20   26 o   7.2817   0.4260   1.4883   53.700   1.16   0.43  -0.52  -1.07 
1 1 1    1   20   27 o   6.8290   0.4588   8.8227  150.500  -0.61  -0.81   0.91  -0.58 
1 1 1    1   20   28 o   6.2954   0.5036   4.8591 -22.2000   0.37  -0.07  -0.02   0.00 
1 1 1    1   20   29 o   11.569   0.6626   7.2804 -156.9000  -1.95   3.53   0.24   0.55 
1 1 1    1   20   30 o   7.5988   0.4903   11.447 -24.0000   1.60  -0.05  -0.58   0.31 
1 1 1    1   20   31 o   3.5003   0.8433   2.8908   73.900  -0.65   0.20  -0.15   0.40 
1 1 1    1   20   32 o   20.111   0.2519   15.700 -74.4000  -0.33  -1.28   0.01  -0.69 
1 1 1    1   20   33 o   6.4698   0.9031   10.297 -65.5000   0.31  -0.56   0.02   0.02 
1 1 1    1   20   34 o   12.216   0.4264   13.261 -168.0000  -1.74   0.72   0.14   0.90 
1 1 1    1   21    0 o   82.235   0.5154   72.729   90.000   0.00   0.86   0.00   0.00 
1 1 1    1   21    1 o   50.539   2.2422   50.147  145.000 -16.31  34.30   6.06   6.78 
1 1 1    1   21    2 o   90.459   0.3950   81.427   46.200   0.31   1.32  -0.22   3.87 
1 1 1    1   21    3 o   45.310   0.8349   43.777   63.700   8.26   1.25  -2.38  -0.49 
1 1 1    1   21    4 o   47.205   1.0500   54.124 -60.2000  14.41   0.74  -9.66  -2.22 
1 1 1    1   21    5 o   45.672   0.3433   39.197   32.100   1.40  -0.26  -1.01   1.19 
1 1 1    1   21    6 o   39.630   2.3415   27.727  165.900 -20.03 -19.69   0.14  -5.59 
1 1 1    1   21    7 f   37.401   0.5341   31.022 -109.6000  -0.93   0.08  -0.27  -0.05 
1 1 1    1   21    8 o   67.108   0.4156   67.175  134.300  -1.22  -2.84   0.36  -0.99 
1 1 1    1   21    9 o   35.460   1.0180   37.959 -170.6000  -2.17  -2.27   0.14  -0.71 
1 1 1    1   21   10 o   8.9202   2.6832   10.210   23.400 -11.80 -28.38   4.15  -4.27 
1 1 1    1   21   11 o   55.017   0.6639   56.651  124.100  -0.64   1.28   0.03   1.44 
1 1 1    1   21   12 o   8.5632   2.3744   14.573 -36.9000  15.21  16.19   0.24  -4.64 
1 1 1    1   21   13 o   8.5115   0.5025   15.973   46.500  -0.16  -1.08   0.26  -0.05 
1 1 1    1   21   14 o   10.660   1.2841   10.000 -179.1000 -11.31 -11.28   0.09  -4.15 
1 1 1    1   21   15 o   18.966   0.6171   8.9299 -15.6000   9.24   7.10  -1.14  -3.47 
1 1 1    1   21   16 f   25.131   2.8795   31.879   17.700  87.58 152.17  22.17 -36.73 
1 1 1    1   21   17 o   16.278   1.2858   17.883 -48.5000  -1.53 -33.68  13.36  -1.79 
1 1 1    1   21   18 o   15.736   0.6248   15.756   70.500  14.99  -3.98  -9.31   4.39 
1 1 1    1   21   19 o   19.596   0.6784   14.352  127.400  11.66  15.16   3.77 -10.29 
1 1 1    1   21   20 o   17.217   0.8748   14.866  149.400 -12.46 -13.37   1.08  -6.74 
1 1 1    1   21   21 o   7.6082   0.4638   1.3498 -129.9000  -0.20   0.04   0.70  -0.70 
1 1 1    1   21   22 f   12.792   0.9206   9.6147   49.500  10.86   6.22  -1.87  -3.99 
1 1 1    1   21   23 f   29.003   0.9703   27.523 -146.1000 -25.97 -11.10  -5.60  -4.63 
1 1 1    1   21   24 o   2.1174   1.0716   3.3083  102.800  -0.54   0.60  -0.09   0.43 
1 1 1    1   21   25 o   9.8795   0.6011   9.2165 -15.3000   1.87  -0.28  -0.30   0.01 
1 1 1    1   21   26 f   17.027   0.5524   19.286  112.000   4.17   4.34  -0.46  -1.82 
1 1 1    1   21   27 o   4.1630   1.3162   5.2735 -137.5000   0.63  -1.30   0.09   0.15 
1 1 1    1   21   28 o   10.416   0.3547   13.949  157.700  -0.19   4.32   2.31  -0.44 
1 1 1    1   21   29 o   8.8637   0.4343   8.7980   84.300   0.19   0.65   0.46   0.22 
1 1 1    1   21   30 f   11.490   0.6567   10.761   81.900   5.73   1.30  -1.38  -1.08 
1 1 1    1   21   31 o   17.571   0.2802   16.433 -167.6000   1.06   0.04  -0.14  -0.68 
1 1 1    1   21   32 o   4.0694   1.8568   4.7174 -56.4000   0.65  -1.17   0.11   0.12 
1 1 1    1   21   33 o   6.1964   1.3054   8.8353  151.700   0.97   1.76   0.06  -0.21 
1 1 1    1   22    0 f   19.987   0.5571   30.532   89.600   0.00   0.02   0.00   0.00 
1 1 1    1   22    1 o   8.6132   0.8398   10.253  146.500  -0.11   0.34   0.02   0.02 
1 1 1    1   22    2 o   40.640   0.8778   43.479   41.800   0.68   4.40   1.08  -0.15 
1 1 1    1   22    3 o   46.750   1.6482   47.457  111.500  15.56  10.48  -2.59  -4.91 
1 1 1    1   22    4 o   43.277   1.3098   29.853 -69.8000 -13.07 -12.41  -1.04  -6.70 
1 1 1    1   22    5 o   35.656   0.2801   30.210 -29.0000  -0.40  -1.34   1.48  -0.13 
1 1 1    1   22    6 o   52.720   0.6430   40.505 -166.3000  -1.26   4.52   2.03   2.11 
1 1 1    1   22    7 o   12.104   0.6546   12.820 -50.0000  -0.67  -9.37   4.56  -0.85 
1 1 1    1   22    8 o   44.071   0.9836   47.310   78.300 -17.57   5.97 -10.81   6.54 
1 1 1    1   22    9 o   26.991   0.5760   22.882  171.700 -11.95 -10.83  -0.08 -20.30 
1 1 1    1   22   10 o   27.886   1.6061   21.601  -8.8000  31.92  24.65  -2.87 -13.24 
1 1 1    1   22   11 o   23.406   0.2240   18.954   27.400   0.40   0.03   1.50   2.89 
1 1 1    1   22   12 o   12.312   0.4177   13.328   2.3000   3.83  -0.18  -3.34  -0.06 
1 1 1    1   22   13 o   20.789   0.2267   13.676   37.800   0.59   0.54   0.21  -0.64 
1 1 1    1   22   14 f   25.861   0.2165   18.156 -159.2000  -3.72   4.10  -7.82  22.60 
1 1 1    1   22   15 o   9.4737   1.2141   12.130  104.900  -6.91   5.29  -0.39   1.26 
1 1 1    1   22   16 o   2.7676   0.9233   14.957 -102.0000   0.43   0.01  -0.20   0.03 
1 1 1    1   22   17 o   12.846   1.6514   21.488   2.2000  32.71  -8.23  -7.09   4.12 
1 1 1    1   22   18 o   19.447   0.4286   25.393   62.200   9.72   2.19  -4.80  -3.13 
1 1 1    1   22   19 o   26.633   0.2290   28.241 -112.4000   0.20  -1.09  -4.03   2.19 
1 1 1    1   22   20 o   26.801   0.2646   28.094 -42.3000  -6.49  -4.91   0.27  -6.11 
1 1 1    1   22   21 o   9.6046   0.8071   8.4131   78.900   8.02   4.92  -1.26  -3.20 
1 1 1    1   22   22 f   38.581   0.7852   38.898  130.900  10.33  21.06   2.87  -5.72 
1 1 1    1   22   23 o   16.032   0.5083   14.176  -5.6000  11.43   3.70  -3.37  -1.84 
1 1 1    1   22   24 o   13.635   0.3726   9.8252 -69.0000   2.50  -1.32  -1.82   0.77 
1 1 1    1   22   25 o   13.862   0.2927   9.8142   48.700   2.36   0.26  -0.91  -0.71 
1 1 1    1   22   26 o   31.624   0.2419   27.581  180.000  -1.12  -0.81   1.44   0.65 
1 1 1    1   22   27 o   18.548   0.6982   20.615 -177.5000  -6.90  -3.51  -1.47  -1.25 
1 1 1    1   22   28 o   11.323   0.3470   11.129   22.800   0.45   1.27   0.15  -0.38 
1 1 1    1   22   29 o   6.3583   0.5937   8.2997 -40.6000  -0.14   0.10  -0.07  -0.02 
1 1 1    1   22   30 o   5.7253   0.6188   2.2377  142.800  -1.03  -0.01  -0.37  -0.26 
1 1 1    1   22   31 f   0.0000   2.5739  ?   ?   -0.12  -0.02   0.04   0.07 
1 1 1    1   22   32 o   1.8125   1.3291   2.4336 -140.8000  -0.82  -0.67  -0.09  -0.16 
1 1 1    1   23    0 o   18.235   0.3180   13.061 -90.8000   0.00   0.08   0.00   0.00 
1 1 1    1   23    1 o   21.889   0.2334   14.679  176.800  -0.36   1.22   0.88   0.33 
1 1 1    1   23    2 o   32.172   0.2307   24.163 -91.0000   0.07  -0.13   0.07   0.01 
1 1 1    1   23    3 o   26.083   0.2300   29.446 -32.7000   1.52   2.14   2.29  -3.34 
1 1 1    1   23    4 o   17.779   0.4120   21.106 -80.6000   0.42  -1.13   0.16   0.18 
1 1 1    1   23    5 f   13.277   0.8520   22.050   37.400   1.07   6.28   1.05  -0.42 
1 1 1    1   23    6 o   6.5430   1.0503   10.429   99.700   8.70   7.67  -1.14  -6.58 
1 1 1    1   23    7 o   44.442   1.6766   32.367  144.900  -8.62  27.35   3.59   2.21 
1 1 1    1   23    8 o   23.987   0.7244   29.151  111.300  -0.80   1.82   0.12   0.16 
1 1 1    1   23    9 o   15.681   0.2619   11.559 -92.8000   1.52  -2.49   0.94   3.69 
1 1 1    1   23   10 o   40.354   0.2920   19.877 -29.8000   1.81   0.70  -0.20  -2.90 
1 1 1    1   23   11 o   18.151   1.6890   20.038  124.500 -18.72  60.54  14.94  10.78 
1 1 1    1   23   12 o   40.725   0.4995   35.617 -111.8000   4.45  -9.06   3.53  13.98 
1 1 1    1   23   13 f   36.070   0.3613   34.514 -30.4000  -5.18  -4.73  -0.43  -1.58 
1 1 1    1   23   14 o   11.185   0.5632   13.763   21.500   1.72   5.50   1.85  -1.55 
1 1 1    1   23   15 f   10.700   1.1758   2.4077 -104.8000  -8.41 -16.92   3.71  -4.43 
1 1 1    1   23   16 o   23.301   0.4894   11.017 -71.1000  -5.48  -4.59  -3.69  -6.64 
1 1 1    1   23   17 o   2.8054   0.9221   9.6591  108.000   0.21   0.29   0.23  -0.21 
1 1 1    1   23   18 o   28.102   0.2279   22.213  129.400  -0.37  -0.27   0.33  -0.07 
1 1 1    1   23   19 o   19.304   0.3673   18.823   80.900   0.06   4.53   1.17   0.19 
1 1 1    1   23   20 o   22.921   0.4079   23.171  150.100  -7.71  -3.43  -2.12  -4.38 
1 1 1    1   23   21 o   7.5482   0.4827   13.193  143.800   1.98   2.96   0.29  -2.70 
1 1 1    1   23   22 o   16.108   0.2761   17.640 -60.3000   3.37  -0.10  -7.75  -8.89 
1 1 1    1   23   23 o   13.320   0.3959   11.947 -147.5000  -1.32  -2.42   0.15  -0.73 
1 1 1    1   23   24 o   5.2701   0.6717   5.5281  117.400  -0.31   1.14   0.20   0.24 
1 1 1    1   23   25 o   17.240   1.0214   9.8127   62.400  -9.93  22.89   4.23   6.05 
1 1 1    1   23   26 o   11.399   0.8237   9.8820 -51.6000   7.10  -3.07  -1.33   0.97 
1 1 1    1   23   27 o   9.2207   0.4389   10.002 -70.0000  -0.32  -1.00   0.19  -0.04 
1 1 1    1   23   28 o   12.590   0.9706   12.312  150.100  -9.05   0.44  -1.63  -0.11 
1 1 1    1   23   29 o   9.8715   0.4736   5.9486  106.400  -0.52   1.69   0.55   0.02 
1 1 1    1   23   30 o   12.503   1.0799   11.897   79.700   1.16   5.44   0.65  -0.12 
1 1 1    1   24    0 o   2.1448   1.3606   6.2524 -90.6000   0.00   0.00   0.00   0.00 
1 1 1    1   24    1 o   13.460   0.5775   13.349   3.2000   1.52   4.97   1.31  -0.76 
1 1 1    1   24    2 o   12.678   1.5160   19.172 -123.5000  12.01 -16.28   1.04   3.70 
1 1 1    1   24    3 o   0.4933   0.9639   5.7748   26.400  -0.06   0.13   0.25   0.06 
1 1 1    1   24    4 o   4.6361   1.1860   7.2662  -7.2000  -3.20   3.43   0.22   1.70 
1 1 1    1   24    5 o   11.058   0.8337   3.2033   42.600 -11.28  -5.24  -3.32  -3.52 
1 1 1    1   24    6 f   13.185   0.3370   19.732  150.300   0.84   3.46   1.75  -0.65 
1 1 1    1   24    7 o   13.733   0.8300   5.9985   24.000   7.05  11.54   2.73  -4.63 
1 1 1    1   24    8 o   13.439   0.5882   15.015 -69.0000  -2.24 -10.87   6.75  -2.26 
1 1 1    1   24    9 o   14.486   1.1485   12.480  120.100  13.55  13.69  -0.20  -5.09 
1 1 1    1   24   10 o   15.474   1.3441   11.730 -87.8000  -6.99 -25.86   4.87  -3.08 
1 1 1    1   24   11 o   16.287   0.2609   18.501  -1.9000   0.36   1.45   0.41  -0.36 
1 1 1    1   24   12 o   10.274   0.3821   10.735  172.800  -0.81   2.19   1.28   0.68 
1 1 1    1   24   13 o   24.248   1.1740   26.970 -146.0000 -35.58  -1.76  -8.93  -0.32 
1 1 1    1   24   14 o   14.366   0.4702   10.936 -170.9000  -4.31   0.11  -3.56  -0.87 
1 1 1    1   24   15 o   7.9456   0.4358   1.2567 -58.6000   1.24  -1.70   0.03   1.68 
1 1 1    1   24   16 o   21.400   0.6107   19.900 -141.8000  -1.24 -10.14   3.63  -0.27 
1 1 1    1   24   17 o   10.891   1.2174   5.5058   81.200  14.36   7.95  -2.51  -3.42 
1 1 1    1   24   18 o   36.658   0.2901   32.795   74.200   2.09   0.77  -0.13  -0.32 
1 1 1    1   24   19 o   10.172   0.5889   12.060 -140.0000  -2.86  -1.11  -0.70  -0.42 
1 1 1    1   24   20 o   16.474   1.5003   15.011 -47.0000  24.86 -25.08   0.78   8.99 
1 1 1    1   24   21 o   18.687   0.3737   18.362 -27.7000   2.54   3.44   0.59  -0.76 
1 1 1    1   24   22 o   28.039   0.2346   28.563  114.100  -1.89  -0.20  -0.33  -0.68 
1 1 1    1   24   23 o   0.0000   2.3717  ?   ?    1.13   0.82  -0.21  -0.32 
1 1 1    1   24   24 f   26.960   0.6546   18.160 -29.3000   2.35 -14.18   3.94   0.26 
1 1 1    1   24   25 o   2.8218   1.0224   6.4728   22.300   0.06  -0.04   0.02  -0.02 
1 1 1    1   24   26 o   15.839   0.2824   14.710  159.300  -0.34   0.13  -0.10  -0.11 
1 1 1    1   24   27 o   16.998   1.2782   16.815 -137.4000 -11.85  -7.92  -1.30  -1.96 
1 1 1    1   24   28 o   13.419   0.9468   9.4281   41.000   0.83   2.85   0.13  -0.15 
1 1 1    1   24   29 o   10.804   0.4434   11.991   8.0000  -0.56   0.46  -0.23  -0.01 
1 1 1    1   25    0 o   11.149   0.5669   14.255 -90.0000  -0.00  -0.10   0.00   0.00 
1 1 1    1   25    1 o   5.6454   0.5674   12.150  121.500  -0.88   0.19  -0.87   0.11 
1 1 1    1   25    2 o   21.030   0.2257   23.085 -101.3000   0.25  -0.51  -2.29   0.81 
1 1 1    1   25    3 o   24.814   0.7827   22.687 -69.4000   0.49 -15.74   4.69  -0.17 
1 1 1    1   25    4 f   5.7582   1.4378   2.4335 -41.8000   4.21   3.88  -0.04  -0.90 
1 1 1    1   25    5 o   34.600   1.2079   32.464   34.600   8.04  11.23   1.14  -2.40 
1 1 1    1   25    6 f   44.023   0.8993   39.620 -41.9000   8.05  -5.33  -1.13   1.67 
1 1 1    1   25    7 f   15.673   0.2727   17.407 -87.5000   0.59  -0.36  -0.03   0.24 
1 1 1    1   25    8 o   29.909   0.2352   24.434 -162.6000   2.50  -1.70  -2.45   1.76 
1 1 1    1   25    9 o   10.963   0.3864   6.3090   77.900   0.79   2.00   0.52  -0.75 
1 1 1    1   25   10 o   6.3071   0.5500   17.492 -42.5000   2.94   1.50  -1.23  -1.24 
1 1 1    1   25   11 f   10.842   0.3961   8.2685 -66.6000   0.02  -1.30   0.77  -0.33 
1 1 1    1   25   12 o   4.0463   1.8208   12.040 -139.8000   0.78   0.59  -0.02  -0.06 
1 1 1    1   25   13 o   5.6129   0.6337   4.0207   79.700  -1.14   0.42  -0.30   0.55 
1 1 1    1   25   14 o   8.9516   1.1177   7.2399   36.300 -13.92   4.53  -4.07   2.47 
1 1 1    1   25   15 o   15.968   1.6569   17.859 -98.1000 -17.08 -38.01   6.22  -6.29 
1 1 1    1   25   16 o   12.602   0.3448   15.664 -55.1000  -0.70   0.37  -0.03   0.12 
1 1 1    1   25   17 o   17.652   0.2462   21.399   49.500  -0.05  -0.23   0.01  -0.04 
1 1 1    1   25   18 f   13.782   1.3468   13.061   69.000  18.89   1.11  -3.59  -0.12 
1 1 1    1   25   19 f   1.0535   1.1400   11.437   9.0000   0.20   0.20   0.10  -0.10 
1 1 1    1   25   20 o   19.566   0.5571   10.829   82.300   1.57   2.30  -0.52  -1.33 
1 1 1    1   25   21 o   14.433   0.3137   15.398  151.700  -1.84  -1.50   3.29  -2.58 
1 1 1    1   25   22 f   7.8109   0.5038   8.4593 -89.8000   1.43  -0.55  -0.52   0.13 
1 1 1    1   25   23 o   13.745   0.8120   6.9864 -106.5000   1.66  -7.06   1.20   1.02 
1 1 1    1   25   24 o   18.802   0.2670   18.420   71.900   5.66   1.81  -7.85   1.83 
1 1 1    1   25   25 o   7.1365   0.5669   8.0796   52.100   0.50   0.53   0.48  -0.17 
1 1 1    1   25   26 o   13.294   0.4299   14.262 -55.0000   3.06  -0.77  -1.16  -0.08 
1 1 1    1   25   27 o   12.111   0.4010   14.149 -103.7000  -0.40   0.41   0.28  -0.16 
1 1 1    1   25   28 o   11.593   0.4386   8.1414 -152.6000   0.62  -0.11   0.04   0.14 
1 1 1    1   26    0 o   32.006   0.3477   25.825   90.300   0.00   0.44   0.00   0.00 
1 1 1    1   26    1 o   14.247   0.2934   15.325 -72.8000   2.38  -0.50  -0.82   0.62 
1 1 1    1   26    2 o   11.254   0.3248   12.011 -115.4000   0.04   0.56   0.31   0.10 
1 1 1    1   26    3 o   16.558   0.4891   16.789   66.000   4.69   8.83   1.51  -2.87 
1 1 1    1   26    4 o   31.410   0.6594   26.568   7.5000   8.60   5.67  -0.87  -1.42 
1 1 1    1   26    5 o   6.1788   0.5465   6.2218  108.000  -0.71  -1.00   0.05  -0.30 
1 1 1    1   26    6 o   6.4261   0.8863   11.555   81.300   0.07   2.73   0.79   0.12 
1 1 1    1   26    7 o   5.4865   0.6935   3.9203 -178.1000  -1.86   1.71   0.18   1.18 
1 1 1    1   26    8 o   17.505   1.2868   15.843 -135.2000  11.70 -51.32  20.12  11.52 
1 1 1    1   26    9 o   9.5666   0.5250   7.5426 -53.1000   3.30   1.32  -0.66  -0.91 
1 1 1    1   26   10 o   19.098   0.3267   15.050 -62.5000  -4.19  -0.04  -0.87  -0.22 
1 1 1    1   26   11 o   8.0074   0.8341   2.2783   18.800   0.65   0.64   0.01  -0.05 
1 1 1    1   26   12 o   10.928   0.3858   11.184 -159.1000  -1.23  -3.46   1.60  -0.71 
1 1 1    1   26   13 f   16.594   0.2790   16.844 -66.8000  -0.83  -3.74   2.93  -6.89 
1 1 1    1   26   14 o   7.3679   0.5217   2.6746  142.900   0.15  -0.44   0.44  -0.21 
1 1 1    1   26   15 o   8.0255   0.4576   3.7125  146.900  -0.70  -0.69   0.03  -0.11 
1 1 1    1   26   16 o   32.762   0.2231   23.971 -96.3000  -1.74  -1.49  -2.66  -0.11 
1 1 1    1   26   17 o   14.174   0.8463   11.708   21.100   8.69   2.93  -2.17  -0.93 
1 1 1    1   26   18 o   15.573   0.2723   12.932  101.700  -0.41  -0.59   0.37   0.06 
1 1 1    1   26   19 o   18.059   0.5345   13.401 -137.9000  -3.71  -3.94  -1.91  -3.64 
1 1 1    1   26   20 o   21.401   0.4589   16.349 -163.6000   0.34  -4.86   2.27  -1.00 
1 1 1    1   26   21 o   12.819   0.4431   14.711 -35.0000   4.55  -1.54  -1.20   0.43 
1 1 1    1   26   22 o   17.752   0.8531   16.141  159.000  -9.55  12.32   2.42   4.45 
1 1 1    1   26   23 f   5.9025   0.6304   5.3483 -149.9000   1.22   1.10  -0.25  -0.40 
1 1 1    1   26   24 o   5.8912   0.6971   6.1336 -106.2000   0.28  -0.02   0.04   0.11 
1 1 1    1   26   25 o   3.6576   0.9544   5.3685   29.000   0.06   0.29   0.04   0.11 
1 1 1    1   26   26 o   0.0000   2.6981  ?   ?    0.19   0.04   0.15   0.03 
1 1 1    1   26   27 o   12.736   0.4225   8.5273 -153.6000   0.21  -0.31   0.04  -0.03 
1 1 1    1   27    0 o   28.057   0.3485   29.721   89.800  -0.00  -0.21   0.00   0.00 
1 1 1    1   27    1 o   12.350   0.8259   12.440  177.900  -7.47  -1.21  -1.94  -0.99 
1 1 1    1   27    2 o   5.5058   0.8062   11.409   24.800   1.79   1.85  -0.05  -0.54 
1 1 1    1   27    3 o   17.001   0.5521   13.257 -133.2000  -1.56  -0.07  -0.27  -0.11 
1 1 1    1   27    4 f   13.098   0.6748   11.392   95.600  -4.46   2.29  -0.84   0.83 
1 1 1    1   27    5 o   7.2775   0.7764   14.211 -12.2000   3.68   1.37  -0.80  -1.01 
1 1 1    1   27    6 o   7.2618   0.5590   14.849 -19.1000   0.41  -0.12   1.33  -0.30 
1 1 1    1   27    7 f   10.249   0.4526   13.052 -116.1000   0.23   0.39  -0.14  -0.24 
1 1 1    1   27    8 o   8.6816   0.7624   11.437 -172.4000  -1.36  -2.66   0.20  -0.38 
1 1 1    1   27    9 o   5.0495   0.6874   7.5859   67.700  -0.77   0.18  -0.81  -0.30 
1 1 1    1   27   10 o   33.206   0.2369   22.343 -59.5000  -0.15   0.69  -0.46   0.15 
1 1 1    1   27   11 f   13.031   0.3392   13.534 -51.0000   0.82   0.22  -0.01  -0.79 
1 1 1    1   27   12 f   14.609   0.3746   15.760 -14.8000   4.68   5.88   2.16  -3.94 
1 1 1    1   27   13 o   6.4439   0.6208   8.0539   79.200   0.32   0.13  -0.01  -0.01 
1 1 1    1   27   14 o   13.114   0.5005   11.524 -86.2000  -0.96  -3.89   0.60  -0.67 
1 1 1    1   27   15 o   6.5017   0.5913   5.0897   95.700  -0.74  -0.37  -0.00  -0.19 
1 1 1    1   27   16 o   7.0358   0.7515   9.2899 -70.9000   2.53  -3.16  -0.05   1.27 
1 1 1    1   27   17 o   17.047   0.2698   16.226 -15.8000  -0.13  -0.57   0.02  -0.13 
1 1 1    1   27   18 o   2.0821   1.0843   3.7431  153.500   0.06   0.17   0.02   0.14 
1 1 1    1   27   19 o   6.4013   0.5595   7.1877 -30.2000   0.79   0.10   0.29  -1.07 
1 1 1    1   27   20 o   9.2752   0.6730   12.189 -25.1000  -0.54  -2.29   0.30  -0.38 
1 1 1    1   27   21 o   7.4728   0.6920   4.5220 -156.8000  -0.01  -2.61   0.50   0.18 
1 1 1    1   27   22 o   9.1196   0.5392   11.241 -109.1000   1.78  -2.03  -0.20   0.62 
1 1 1    1   27   23 o   0.0000   2.5205  ?   ?   -0.34  -0.10  -0.03  -0.07 
1 1 1    1   27   24 o   6.0427   0.7229   7.7148   93.200  -0.80   0.36  -0.42  -0.36 
1 1 1    1   27   25 o   11.233   0.7584   12.979   7.1000   3.83   2.85   0.13  -0.87 
1 1 1    1   28    0 o   3.1145   1.4479   3.3014   90.000   0.00   0.01   0.00   0.00 
1 1 1    1   28    1 f   16.619   0.2803   15.277 -10.5000   1.35   0.51  -0.28  -0.09 
1 1 1    1   28    2 o   13.900   0.3757   10.435 -145.1000  -0.04  -0.46   0.05  -0.08 
1 1 1    1   28    3 o   15.376   0.3245   11.658   84.200   0.22  -0.26  -0.02   0.04 
1 1 1    1   28    4 o   7.8268   1.0059   7.3747 -67.2000  -3.69  -1.68  -0.47  -0.84 
1 1 1    1   28    5 o   17.809   0.7171   10.646  120.300   1.31   8.75   3.64  -0.13 
1 1 1    1   28    6 o   22.343   0.2781   22.210   22.300   5.63  -4.92   2.62   6.22 
1 1 1    1   28    7 o   18.582   0.4608   13.396   49.200   6.34   5.15  -0.65  -1.54 
1 1 1    1   28    8 o   6.7112   0.5905   6.5731 -15.5000  -0.39  -0.82   0.00  -0.44 
1 1 1    1   28    9 o   3.2899   1.0092   0.7229   33.700  -0.64   0.89  -0.05   0.43 
1 1 1    1   28   10 o   12.499   0.3516   13.219  -0.4000   0.74   4.82   5.38   1.14 
1 1 1    1   28   11 o   9.6882   0.4694   17.126  124.400  -0.03   2.02   0.72  -2.68 
1 1 1    1   28   12 o   1.6386   1.2194   4.8614  124.500  -0.04   0.07   0.00   0.00 
1 1 1    1   28   13 o   10.560   0.3799   12.467 -14.8000  -0.39  -0.96  -0.17  -0.69 
1 1 1    1   28   14 o   6.3230   0.6060   6.3444  142.500  -2.16  -1.42  -0.57  -0.57 
1 1 1    1   28   15 o   9.3934   0.7024   10.850  112.900  -0.44   3.95   0.94  -0.11 
1 1 1    1   28   16 o   16.025   0.3260   13.031 -19.9000   1.23  -1.47  -0.21   0.49 
1 1 1    1   28   17 o   7.7758   0.4923   2.3993 -43.0000   0.78   0.30  -0.35   0.11 
1 1 1    1   28   18 o   6.0676   0.6443   7.2682  118.500   0.26   1.16  -0.07  -0.94 
1 1 1    1   28   19 o   8.8978   0.9406   7.2183  -4.3000   3.34   2.80   0.10  -0.77 
1 1 1    1   28   20 o   4.1910   0.8740   3.9588 -164.0000   0.00  -0.54   0.07  -0.23 
1 1 1    1   28   21 o   4.3238   1.9628   1.7286 -103.3000  -0.38  -0.90   0.05  -0.03 
1 1 1    1   28   22 o   1.7116   1.3367   2.9570  168.100  -0.27  -0.20  -0.11   0.14 
1 1 1    1   28   23 o   2.1324   1.2689   7.7533  131.500  -0.27   0.13   0.04  -0.11 
1 1 1    1   29    0 o   4.6476   1.2440   2.2978   94.300  -0.00  -0.09   0.00   0.00 
1 1 1    1   29    1 o   24.415   0.2875   18.370 -95.7000  -1.14   0.82  -1.15  -0.86 
1 1 1    1   29    2 o   20.201   0.8910   12.127   26.900   8.70  -0.24  -1.09   0.30 
1 1 1    1   29    3 o   12.238   0.8933   7.3973   99.500   0.19   7.34   0.89  -0.18 
1 1 1    1   29    4 o   9.8408   0.4901   16.586 -95.3000  -1.85  -1.35   0.20  -1.07 
1 1 1    1   29    5 f   16.535   0.8085   18.548 -61.1000   3.20  -1.38  -0.64   0.17 
1 1 1    1   29    6 o   5.6348   0.8353   6.0944 -47.1000   0.29  -0.62   0.19  -0.04 
1 1 1    1   29    7 o   7.6946   0.6067   12.245  129.000   0.04  -1.92   0.44   0.35 
1 1 1    1   29    8 o   7.4884   0.7013   7.7209  139.100  -0.72  -0.53   0.01  -0.08 
1 1 1    1   29    9 o   14.894   0.3001   12.303  158.700  -0.28  -0.19  -0.10   0.08 
1 1 1    1   29   10 o   4.7636   1.3730   8.4064 -126.6000  -0.58  -1.37   0.14  -0.09 
1 1 1    1   29   11 o   18.510   0.4360   16.391 -52.2000   9.14   2.09  -2.80  -3.25 
1 1 1    1   29   12 o   14.860   0.3557   16.920 -25.8000  -0.33  -2.18   0.41  -0.80 
1 1 1    1   29   13 o   5.2376   0.7817   8.9730  118.700  -0.00   0.58   0.08   0.08 
1 1 1    1   29   14 o   2.8747   1.1417   4.3361 -49.5000  -0.01  -0.15  -0.03  -0.03 
1 1 1    1   29   15 o   8.8928   0.4475   7.8118  134.600  -0.16   0.22  -0.08  -0.09 
1 1 1    1   29   16 o   7.4143   0.9234   8.5763 -50.4000  -0.33  -2.67   0.42   0.06 
1 1 1    1   29   17 o   1.1716   1.1600   2.7096   9.2000   0.06  -0.07   0.01   0.00 
1 1 1    1   29   18 o   5.4946   1.2526   8.0247   93.300   0.18   0.67   0.04  -0.01 
1 1 1    1   29   19 o   6.6442   0.7412   5.1091  175.700  -0.18   2.04   0.34   0.31 
1 1 1    1   29   20 o   0.0000   2.6451  ?   ?    0.12  -0.17  -0.02  -0.13 
1 1 1    1   29   21 o   14.218   0.4706   10.218 -130.7000  -1.33   0.89   0.15   0.22 
1 1 1    1   29   22 o   0.0000   2.7810  ?   ?   -0.09  -0.03   0.00   0.00 
1 1 1    1   30    0 o   3.0984   1.2834   4.5809   89.200   0.00   0.03   0.00   0.00 
1 1 1    1   30    1 o   8.5053   0.6221   13.324   42.300  -0.19   0.81   0.05   0.14 
1 1 1    1   30    2 o   4.8598   1.3834   3.8585   85.200  -0.78  -1.54   0.07  -0.17 
1 1 1    1   30    3 o   7.8928   0.5592   4.9725 -137.6000  -0.15   0.25  -0.05   0.04 
1 1 1    1   30    4 o   11.726   0.4373   14.346 -116.7000  -2.46   0.11  -0.63   0.59 
1 1 1    1   30    5 o   16.548   0.2979   15.599  122.500  -0.71   0.67   0.51   0.08 
1 1 1    1   30    6 o   6.5856   1.0899   7.0956 -44.9000   0.16  -0.94   0.04   0.03 
1 1 1    1   30    7 f   14.475   0.4491   8.6234   57.600  -0.43   0.02   0.13  -0.00 
1 1 1    1   30    8 o   9.1406   0.5507   5.4817 -99.7000  -1.00  -0.28  -0.36   0.34 
1 1 1    1   30    9 o   3.8982   0.8709   2.0495 -101.7000  -0.04   0.66   0.12   0.21 
1 1 1    1   30   10 o   16.153   0.3329   16.807 -115.7000  -1.01  -1.02   0.17  -0.19 
1 1 1    1   30   11 f   9.2849   0.4815   11.636  148.200  -1.09  -0.79   0.69  -0.46 
1 1 1    1   30   12 o   2.3039   1.2517   4.9757  112.100  -1.03  -0.11  -0.25  -0.40 
1 1 1    1   30   13 o   9.8288   0.8371   9.8275  -1.8000  -0.21  -3.60   0.67  -0.49 
1 1 1    1   30   14 o   9.1270   0.5346   5.7643 -171.3000  -0.33  -1.33   0.10  -0.23 
1 1 1    1   30   15 o   0.0000   2.5978  ?   ?    0.23   0.34  -0.03  -0.09 
1 1 1    1   30   16 o   3.0290   1.0144   8.1000 -20.5000   0.09   0.40   0.08   0.06 
1 1 1    1   30   17 o   8.1869   0.5690   6.2106 -159.0000   0.17   0.71  -0.23  -0.20 
1 1 1    1   30   18 o   0.9822   1.2594   3.9335 -175.3000  -0.25   0.16  -0.08  -0.06 
1 1 1    1   30   19 o   0.0000   2.5963  ?   ?   -0.37   0.16   0.02   0.15 
1 1 1    1   31    0 o   0.0000   4.3932   1.7475 -88.7000  -0.00  -0.10   0.00   0.00 
1 1 1    1   31    1 o   4.4536   1.0175   8.2898 -71.1000   0.27   0.16  -0.02  -0.01 
1 1 1    1   31    2 o   2.4736   1.4713   4.9318   46.400   0.27  -0.20   0.06  -0.11 
1 1 1    1   31    3 o   3.4046   1.5336   0.5896 -11.8000   0.52  -0.21  -0.09  -0.02 
1 1 1    1   31    4 o   5.7812   0.7371   10.260 -130.1000  -0.59  -0.61   0.38  -0.03 
1 1 1    1   31    5 o   10.465   0.6606   12.060 -66.8000   0.29   1.11   0.16   0.15 
1 1 1    1   31    6 o   8.2258   0.9492   10.576 -91.2000   2.29  -0.34  -0.32  -0.08 
1 1 1    1   31    7 o   8.6665   0.8167   3.9738   14.400   3.23   0.77  -0.60   0.01 
1 1 1    1   31    8 o   15.019   0.5299   17.044  104.800  -1.41   2.93   0.55   0.17 
1 1 1    1   31    9 o   8.0132   0.6682   5.9115  165.600   0.07   0.51  -0.13  -0.11 
1 1 1    1   31   10 o   9.9124   0.6187   10.534 -172.2000  -0.42   1.90   0.57  -0.77 
1 1 1    1   31   11 o   6.8826   0.7049   11.365 -25.4000   0.22   0.11  -0.01  -0.00 
1 1 1    1   31   12 o   4.6133   1.2924   4.3536   23.200   0.28   0.16  -0.01  -0.01 
1 1 1    1   31   13 o   0.5610   1.2293   1.7945  126.300  -0.39   0.17  -0.11  -0.03 
1 1 1    1   31   14 o   0.0000   2.8714  ?   ?    0.20   0.11  -0.03  -0.00 
1 1 1    1   31   15 o   5.8489   0.7904   9.3544 -128.0000  -0.15  -0.88   0.12   0.13 
1 1 1    1   31   16 o   0.0000   2.7337  ?   ?   -0.11   0.21  -0.01  -0.09 
1 1 1    1   31   17 o   1.4845   1.3264   4.3797 -62.4000   1.48   0.13  -0.22  -0.14 
1 1 1    1   32    0 o   0.0000   4.9598   7.6515   91.000  -0.00  -0.01   0.00   0.00 
1 1 1    1   32    1 o   1.9200   1.4393   3.5433  175.700  -0.22   0.83   0.11   0.01 
1 1 1    1   32    2 o   8.5070   0.5700   6.8878 -29.5000  -0.08  -0.54  -0.06  -0.12 
1 1 1    1   32    3 o   7.6896   0.8812   10.015  172.500  -0.08   0.14  -0.01   0.00 
1 1 1    1   32    4 o   6.6995   1.2060   5.5533 -164.8000  -0.51  -0.10   0.02   0.06 
1 1 1    1   32    5 o   3.7977   1.1677   9.9515  156.700   0.20  -1.09   0.11   0.17 
1 1 1    1   32    6 o   4.2050   0.9145   6.0153   36.000   0.37   0.65  -0.09  -0.15 
1 1 1    1   32    7 o   0.0000   3.1897  ?   ?    0.24  -0.14  -0.06  -0.05 
1 1 1    1   32    8 o   0.0000   3.2925  ?   ?   -0.08  -0.32  -0.00  -0.04 
1 1 1    1   32    9 o   4.5040   1.0368   8.6609  100.200   0.44  -0.74   0.11   0.03 
1 1 1    1   32   10 o   9.4237   0.8260   9.1129 -89.8000   0.57  -0.91  -0.02   0.07 
1 1 1    1   32   11 o   5.3308   1.6748   10.554 -179.6000  -1.30   0.93   0.09   0.19 
1 1 1    1   32   12 o   5.7171   1.4156   2.0734 -78.9000  -1.54  -0.79  -0.02  -0.16 
1 1 1    1   32   13 o   5.0417   0.9428   6.8673   31.200   0.86  -0.04  -0.01  -0.17 
1 1 1    1   32   14 o   3.7110   1.8034   4.1912 -41.1000   1.37  -0.00  -0.11  -0.05 
1 1 1    1   33    0 o   10.742   0.6568   2.8446 -89.0000   0.00   0.59   0.00   0.00 
1 1 1    1   33    1 o   6.3713   0.9149   7.2333 -22.7000   0.65   0.25  -0.06   0.08 
1 1 1    1   33    2 o   5.5799   1.7303   9.1928 -93.5000   0.64  -0.28  -0.04  -0.03 
1 1 1    1   33    3 o   4.6580   1.0209   3.4235  -4.6000   0.26  -0.12   0.03  -0.01 
1 1 1    1   33    4 o   4.4392   0.9475   2.8534  101.500  -0.75   0.28   0.01  -0.32 
1 1 1    1   33    5 o   3.2571   1.5174   1.8042 -129.7000  -0.24   0.41  -0.04   0.05 
1 1 1    1   33    6 f   13.085   1.5272   13.111 -74.4000   1.30   0.28   0.03  -0.05 
1 1 1    1   33    7 o   0.0000   3.7960  ?   ?    0.02   0.11   0.00   0.01 
1 1 1    1   33    8 o   1.0494   1.3703   5.3340   45.400   0.43   0.10   0.08  -0.07 
1 1 1    1   33    9 f   11.354   0.5511   8.0438 -124.8000  -1.61  -1.47  -0.55   0.27 
1 1 1    1   33   10 o   0.0000   3.0576  ?   ?    0.07   0.16  -0.01  -0.01 
1 1 1    1   34    0 o   0.0000   4.9800   7.2355   89.500   0.00   0.17   0.00   0.00 
1 1 1    1   34    1 o   0.0000   3.2702  ?   ?    0.08  -0.05   0.00  -0.02 
1 1 1    1   34    2 o   4.5946   1.3646   8.5447 -69.3000   0.50   0.09   0.04   0.02 
1 1 1    2    0    1 o   27.559   0.1749   21.356   89.200  -0.00  -0.64   0.00   0.00 
1 1 1    2    0    2 o   10.578   0.1169   20.531   0.2000   0.19   0.00   0.00   0.00 
1 1 1    2    0    3 o   46.571   0.3654   23.130   89.200   0.00   0.05   0.00   0.00 
1 1 1    2    0    4 o   69.855   0.8045   68.940  -0.3000  -1.79   0.00   0.00   0.00 
1 1 1    2    0    5 o   48.139   0.2839   43.853   90.700   0.00   0.50   0.00   0.00 
1 1 1    2    0    7 f   10.954   0.1928   15.321 -89.2000   0.00   0.00   0.00   0.00 
1 1 1    2    0    8 o   14.248   0.1631   11.109  177.500   0.02   0.00   0.00   0.00 
1 1 1    2    0    9 o   84.702   0.5431   77.373   90.000  -0.00  -0.36   0.00   0.00 
1 1 1    2    0   10 o   20.204   0.1839   1.9226 -179.5000  -0.01   0.00   0.00   0.00 
1 1 1    2    0   12 o   86.157   0.5633   68.689  -0.3000   0.27   0.00   0.00   0.00 
1 1 1    2    0   13 o   84.564   0.5107   76.095   90.200  -0.00  -0.59   0.00   0.00 
1 1 1    2    0   14 o   71.514   0.4461   58.207  -0.1000  -0.87   0.00   0.00   0.00 
1 1 1    2    0   15 o   19.442   0.2086   18.721 -89.4000  -0.00  -0.36   0.00   0.00 
1 1 1    2    0   16 o   58.341   0.3806   62.578  -0.1000   2.06   0.00   0.00   0.00 
1 1 1    2    0   17 f   85.859   0.5319   85.211   89.400   0.00   2.19   0.00   0.00 
1 1 1    2    0   18 f   48.210   0.3214   52.892 -180.0000  -0.50   0.00   0.00   0.00 
1 1 1    2    0   19 o   33.878   0.2621   34.219 -90.6000   0.00   0.01   0.00   0.00 
1 1 1    2    0   20 o   12.104   0.2786   7.7605  -0.4000   0.01   0.00   0.00   0.00 
1 1 1    2    0   21 o   13.788   0.2807   21.142 -90.2000  -0.00  -0.02   0.00   0.00 
1 1 1    2    0   22 o  119.051   0.7114  101.248  -0.1000   0.37   0.00   0.00   0.00 
1 1 1    2    0   23 o   65.174   0.4359   62.128   89.800   0.00   0.23   0.00   0.00 
1 1 1    2    0   24 o  100.324   0.5985   90.359   0.2000   0.23   0.00   0.00   0.00 
1 1 1    2    0   25 o   37.459   0.3137   32.235   90.200  -0.00  -0.19   0.00   0.00 
1 1 1    2    0   26 o   66.657   0.4789   34.743  -0.7000  -0.78   0.00   0.00   0.00 
1 1 1    2    0   27 f   69.493   0.4575   80.519   90.000  -0.00  -0.02   0.00   0.00 
1 1 1    2    0   28 o   61.032   0.4303   54.004  -0.1000  -0.00   0.00   0.00   0.00 
1 1 1    2    0   29 o   62.902   0.6000   77.518 -90.1000   0.00   0.40   0.00   0.00 
1 1 1    2    0   30 o   24.050   0.3099   19.804  -1.6000   0.41   0.00   0.00   0.00 
1 1 1    2    0   31 o   45.735   0.3580   45.116 -90.1000   0.00   0.16   0.00   0.00 
1 1 1    2    0   32 o   22.457   0.3031   32.928   0.1000  -0.69   0.00   0.00   0.00 
1 1 1    2    0   33 o   17.664   0.3279   20.639   90.000  -0.00  -0.18   0.00   0.00 
1 1 1    2    0   34 f   18.003   0.3300   42.624  -0.1000  -0.08   0.00   0.00   0.00 
1 1 1    2    0   35 o   3.8210   1.0380   1.0049 -93.6000   0.00   0.01   0.00   0.00 
1 1 1    2    0   36 o   23.883   0.3222   24.187   0.1000   0.77   0.00   0.00   0.00 
1 1 1    2    0   37 o   18.330   0.3558   16.699   90.200  -0.00  -0.53   0.00   0.00 
1 1 1    2    0   38 o   12.633   0.4764   15.711 -179.8000  -0.25   0.00   0.00   0.00 
1 1 1    2    0   39 o   7.6354   0.6329   12.690 -90.2000   0.00   0.01   0.00   0.00 
1 1 1    2    0   40 o   10.378   0.5092   13.644  179.500  -0.29   0.00   0.00   0.00 
1 1 1    2    0   41 o   5.5946   0.9696   0.4422   94.200   0.00   0.11   0.00   0.00 
1 1 1    2    1    2 o   44.180   0.7897   64.194 -40.7000   2.74   0.08  -0.35  -2.47 
1 1 1    2    1    3 o   56.853   0.9751   44.385   16.400  -1.17  -1.82   1.03   0.40 
1 1 1    2    1    4 o   28.891   0.5973   28.191  163.600   0.27   0.01  -0.00   0.07 
1 1 1    2    1    5 o   39.014   1.7821   27.645  107.100  -0.38   2.43   0.63  -0.22 
1 1 1    2    1    6 o   54.684   2.2489   43.386 -41.4000   5.87   3.19  -3.66  -0.70 
1 1 1    2    1    7 o  119.736   2.7650  120.643   30.700  -2.16   9.31   2.51   2.87 
1 1 1    2    1    8 f   74.623   0.6275   79.423  116.100 -11.65  -2.42 -27.31  -3.34 
1 1 1    2    1    9 o  143.399   2.2936  125.030 -179.6000  -2.08  -0.94   0.00   0.00 
1 1 1    2    1   10 o   87.855   1.2645   87.888   54.000   7.40  -1.80  -2.10   1.59 
1 1 1    2    1   11 o  122.564   2.6408  117.369 -77.3000   3.98  -3.45  -0.55   0.94 
1 1 1    2    1   12 o  111.462   0.5867  112.235   99.700   2.29  -0.93  -0.29   1.94 
1 1 1    2    1   13 o   35.268   1.4090   27.650 -19.6000   5.80 -15.05   4.70   3.68 
1 1 1    2    1   14 o   69.741   2.1089   58.547 -95.1000   4.84 -16.67   5.24   4.56 
1 1 1    2    1   15 o   68.672   1.4577   58.671 -129.6000   0.35 -11.44   8.75   3.71 
1 1 1    2    1   16 o   37.626   0.4048   36.930   79.600   0.33  -0.68   0.21   0.11 
1 1 1    2    1   17 o   37.053   1.2701   33.566 -108.5000 -44.84  12.40 -30.02  19.90 
1 1 1    2    1   18 o   12.197   2.9929   11.399 -119.8000  47.15 -18.26 -10.17   9.13 
1 1 1    2    1   19 o  120.401   0.7156  132.389 -14.1000   1.97   0.13   1.06  -7.64 
1 1 1    2    1   20 o   99.285   0.4220  100.723  102.600  22.02  12.21 -10.79 -14.15 
1 1 1    2    1   21 o   55.947   0.9142   58.118 -137.5000  -9.27  -2.83  -2.33  -1.42 
1 1 1    2    1   22 o   43.436   0.5478   32.316 -20.9000   5.12   1.11  -9.12  -5.95 
1 1 1    2    1   23 o   20.143   0.2724   18.681 -127.2000  -0.31  -0.64   0.25  -0.24 
1 1 1    2    1   24 f   9.8048   0.5132   32.791 -59.8000   1.13  -0.76  -0.08   0.19 
1 1 1    2    1   25 o   58.330   0.2844   48.742  176.500   0.36   2.24   2.94  -0.19 
1 1 1    2    1   26 o  106.807   0.5741  104.918 -97.6000   0.30  -1.34   0.33   1.32 
1 1 1    2    1   27 o   18.566   0.2768   20.401  118.400  -0.26  -0.08  -0.19  -0.84 
1 1 1    2    1   28 o   23.224   0.7385   21.626   95.800 -12.67  -3.14  -6.77  -3.95 
1 1 1    2    1   29 o   37.326   0.7678   37.849  169.400  -6.07   3.67  -0.95   1.50 
1 1 1    2    1   30 o   58.846   0.3540   49.698   78.500   4.47  -0.43  -1.61  -0.06 
1 1 1    2    1   31 o   11.200   0.3324   12.092   13.800   0.47   1.67   0.79  -0.37 
1 1 1    2    1   32 o   20.511   0.4165   17.361 -135.7000  -5.09  -1.02  -6.67  -1.38 
1 1 1    2    1   33 o   9.0618   0.7551   9.2781 -164.4000  -5.71  -2.37  -1.25  -1.41 
1 1 1    2    1   34 f   21.931   2.2667   25.665   55.400  78.77 -12.32 -25.95   9.40 
1 1 1    2    1   35 o   43.680   0.6279   37.881 -170.1000  -4.54   7.85   0.71   2.30 
1 1 1    2    1   36 o   28.103   0.8339   18.731 -111.7000  -7.87  -4.15  -3.90  -2.88 
1 1 1    2    1   37 o   29.810   1.1049   28.610   40.500  15.76   0.15  -5.74   1.00 
1 1 1    2    1   38 o   24.481   0.5848   25.730  -9.6000   4.66  -1.63  -0.83   1.04 
1 1 1    2    1   39 f   14.582   0.2791   6.3413   11.600  -0.65   2.22   3.86   0.01 
1 1 1    2    1   40 f   25.995   0.2427   24.170  120.400  -0.19  -0.42  -0.20   0.35 
1 1 1    2    1   41 o   2.9125   1.4067   2.9070 -81.7000  -0.41  -1.51   0.16  -0.11 
1 1 1    2    2    0 o   22.224   0.1497   1.1656 -44.3000  -0.06   0.00   0.00   0.00 
1 1 1    2    2    1 o   75.292   0.8672   57.230   24.000   3.88   1.36   0.00   0.00 
1 1 1    2    2    2 o   11.641   2.5948   3.7488   5.8000   2.11   4.94   1.62  -1.11 
1 1 1    2    2    3 o   52.900   0.7240   50.883  120.900   1.39   0.04  -0.06  -0.46 
1 1 1    2    2    4 o   33.381   2.6137   9.1010 -152.9000  -0.73  -6.03   2.66   0.58 
1 1 1    2    2    6 o   74.621   0.4417   67.531  134.600   1.57  -2.37   0.34  -2.10 
1 1 1    2    2    8 o   70.097   0.8241   64.401 -67.8000  -1.56  -1.71   0.27  -0.78 
1 1 1    2    2   10 o   58.678   0.5756   52.525 -162.0000  -0.38  -2.64   2.71   0.00 
1 1 1    2    2   12 o   52.650   2.1016   47.847 -105.3000 -37.63 -14.50 -10.63  -8.91 
1 1 1    2    2   13 o   61.794   1.0192   46.327  111.700   9.24  11.28   0.33  -5.04 
1 1 1    2    2   14 o   33.983   2.1416   38.539  133.100  -3.07  29.47   9.31   1.51 
1 1 1    2    2   15 o   12.011   1.4649   12.978 -24.0000 -20.11 -25.38   4.48 -22.62 
1 1 1    2    2   16 f   25.492   2.9673   35.707 -79.1000 -19.48 -59.77  14.94 -11.61 
1 1 1    2    2   17 o   72.881   1.1721   64.333  112.800  -1.27   1.09  -5.00   1.90 
1 1 1    2    2   18 o   47.323   2.2448   36.989  157.400 -15.43  68.68  32.29  13.84 
1 1 1    2    2   19 o   54.316   1.9182   66.418 -51.2000  24.56  -6.63 -13.73   6.95 
1 1 1    2    2   20 o   29.730   0.7878   29.636 -92.0000  -4.54  -1.94  -2.04  -2.37 
1 1 1    2    2   21 o   65.620   1.7362   78.070 -129.9000   5.62 -16.83   8.24   7.05 
1 1 1    2    2   22 o   65.943   0.3016   78.703   13.500   1.65  -0.71  -0.32   0.46 
1 1 1    2    2   23 o   52.140   0.3779   52.895  100.200   6.85   1.60 -11.92  -2.90 
1 1 1    2    2   24 o   78.987   1.4058   71.506   46.700  -3.98  16.19   5.99   3.77 
1 1 1    2    2   25 o   51.847   0.2731   47.848  143.400   0.20  -0.05  -0.25  -0.07 
1 1 1    2    2   26 o   40.739   1.6763   47.712  128.600  -4.07  18.39   6.86   2.79 
1 1 1    2    2   27 o   60.791   2.5301   64.677  136.400  -0.94  32.72   9.10  -0.07 
1 1 1    2    2   28 o   27.008   0.8864   28.450  -3.6000   7.44 -14.70   4.97   6.24 
1 1 1    2    2   29 o   15.578   0.4600   19.156 -177.3000  -0.42  -1.98   0.58  -0.21 
1 1 1    2    2   30 o   36.037   2.0653   33.930 -116.2000  21.69 -84.77  25.66  13.16 
1 1 1    2    2   31 o   85.872   0.4032   85.738 -31.1000   4.44   0.42  -1.41  -1.25 
1 1 1    2    2   32 o   29.150   1.7267   22.899  105.800   8.78  43.50  16.26  -7.87 
1 1 1    2    2   33 o   31.360   0.2274   30.150  101.500  -0.03  -0.65  -0.51   1.99 
1 1 1    2    2   34 f   28.508   0.2113   32.742   53.400  -3.40   1.85  -1.58   1.41 
1 1 1    2    2   35 o   15.360   0.2634   17.459  111.800   1.45   1.71  -7.26 -10.33 
1 1 1    2    2   36 o   12.799   0.3093   11.102   21.800   1.41   3.57   6.86  -1.90 
1 1 1    2    2   37 o   19.241   0.6072   24.189   34.500   0.54   6.23   1.73  -0.00 
1 1 1    2    2   38 o   21.708   0.2385   22.971  171.800  -0.81  -0.08  -0.14  -0.10 
1 1 1    2    2   39 o   14.428   0.2940   11.761 -21.9000   0.65  -1.47   5.08  -0.83 
1 1 1    2    2   40 o   12.354   0.5818   14.135 -163.1000  -3.25   2.55   0.08   2.22 
1 1 1    2    2   41 o   4.6645   1.1276   6.7728   4.2000  -0.81   1.34   0.15   0.20 
1 1 1    2    3    0 o   38.022   0.2391   5.6707  -4.5000  -0.50   0.00   0.00   0.00 
1 1 1    2    3    1 o   61.184   2.6262   50.079 -150.9000   5.82  -4.84   2.76   3.28 
1 1 1    2    3    2 o   36.804   5.4890   17.340 -124.3000 -10.02 -11.79  -0.35  -4.12 
1 1 1    2    3    3 o   41.838   4.6581   34.665 -87.7000 -10.79  -8.31  -2.44  -3.66 
1 1 1    2    3    4 o   29.147   2.2913   39.854  167.000  -1.69   0.17  -0.26  -0.07 
1 1 1    2    3    5 o  101.802   1.5918   97.563 -138.1000  -1.77   0.92   0.00   0.00 
1 1 1    2    3    6 o   83.611   2.6785   96.684   26.500  12.68   2.13  -2.17  -0.51 
1 1 1    2    3    7 f   31.740   4.7776   59.000   79.900 -99.29  50.10 -25.34  33.19 
1 1 1    2    3    8 o   51.420   1.4573   41.864   92.100 -30.05  -0.89 -27.74   0.49 
1 1 1    2    3    9 o   67.493   0.9795   60.686  120.000  -5.51  -2.29  -1.83  -1.36 
1 1 1    2    3   11 o   61.725   3.1878   63.228   28.000  54.15 -30.13 -10.21  15.25 
1 1 1    2    3   12 o   52.790   0.5471   47.093   56.500  -2.77   3.80   0.56   5.70 
1 1 1    2    3   13 o   73.013   2.9085   62.529  105.300  -6.82  27.51   6.46   4.33 
1 1 1    2    3   14 o   39.260   4.1853   33.473 -42.5000  22.01 -60.84  12.01  10.70 
1 1 1    2    3   15 o   18.987   2.6611   18.325 -24.3000  34.66 -30.88  -1.32  14.97 
1 1 1    2    3   16 o   45.992   2.7173   49.392   87.800  -2.75  31.01   8.14   2.10 
1 1 1    2    3   17 o   28.237   1.6832   32.356   79.100  32.02  -1.32 -16.84   0.83 
1 1 1    2    3   18 o   69.996   0.8627   63.487 -53.1000  -0.44   0.07   1.48  -0.74 
1 1 1    2    3   19 o   63.104   1.3004   46.460   29.000  19.64  -0.78  -5.55   0.75 
1 1 1    2    3   20 o   59.895   0.2771   64.406  154.200   2.71   4.63   4.21 -13.93 
1 1 1    2    3   21 f   41.338   1.8057   42.790 -121.2000  -3.28 -25.93  10.83  -2.49 
1 1 1    2    3   22 f   59.257   1.3123   53.837 -146.6000  -2.92 -11.90   2.51  -1.47 
1 1 1    2    3   23 o   92.177   0.3994   97.921 -144.2000  -0.02   0.49   0.10  -0.06 
1 1 1    2    3   24 o   56.437   0.2771   51.603  116.100   2.29   0.77  -4.12  -1.59 
1 1 1    2    3   25 o   45.366   2.1516   53.909 -163.9000 -24.17 -10.44  -5.33  -5.24 
1 1 1    2    3   26 o   60.010   0.6081   62.787 -135.0000  -1.84  -2.03   0.24  -0.85 
1 1 1    2    3   27 o   34.754   0.9684   15.994   28.600  -2.99   5.45   1.32   1.70 
1 1 1    2    3   28 o   24.245   1.5737   28.176 -42.4000  20.33 -10.06  -3.11   4.26 
1 1 1    2    3   29 o   27.437   1.0067   36.949  108.700 -14.56   8.60  -3.74   6.07 
1 1 1    2    3   30 f   24.821   0.7057   29.096 -14.1000  10.46   1.99  -2.51  -1.13 
1 1 1    2    3   31 o   14.293   0.2677   10.201  -2.6000   0.86  -0.73  -0.64   1.39 
1 1 1    2    3   32 o   17.689   1.0198   24.750  169.300  -8.82   3.61  -1.52   1.66 
1 1 1    2    3   33 o   16.670   0.9090   11.045  119.300   3.20  12.15   4.38  -2.92 
1 1 1    2    3   34 o   23.507   1.2561   19.405   3.3000  11.43   0.35  -2.53   0.09 
1 1 1    2    3   35 o   36.271   0.6333   36.079 -145.1000  -5.35  -0.77  -3.52   0.31 
1 1 1    2    3   36 o   29.134   1.1388   27.206 -165.1000 -11.16  -1.67  -3.99  -0.19 
1 1 1    2    3   37 f   20.250   0.7134   20.303   81.700 -11.07   7.71  -2.33   4.35 
1 1 1    2    3   38 o   38.249   0.2735   40.891 -45.7000   1.26   1.12   1.35  -0.37 
1 1 1    2    3   39 o   23.445   0.6874   20.601   56.300  14.38   2.71  -3.92  -2.24 
1 1 1    2    3   40 f   14.510   0.3595   16.380 -121.4000  -2.46  -0.38  -1.20   0.08 
1 1 1    2    3   41 o   10.500   0.4038   10.763   82.000  -0.11   0.85   0.15   0.16 
1 1 1    2    4    0 o   78.086   1.2459   74.974  -0.3000  -0.53   0.00   0.00   0.00 
1 1 1    2    4    1 o   56.883   5.5173   40.379  125.600  -9.31  10.70  -0.62   2.86 
1 1 1    2    4    2 o   29.135   1.8284   10.755 -49.2000   0.78  -0.24  -0.09   0.01 
1 1 1    2    4    3 o   56.566   1.9672   50.049   30.400   3.00  -5.31  -1.95   3.83 
1 1 1    2    4    4 o   65.261   5.7080   65.086   36.600   7.68  11.94   0.03  -3.04 
1 1 1    2    4    5 o   73.263   4.1995   51.535   80.300  56.33  32.10 -12.62 -19.09 
1 1 1    2    4    6 o   83.414   4.3382   76.344   62.700   9.25  45.57   9.19  -3.30 
1 1 1    2    4    7 o   91.855   4.4303   81.648   72.500  20.67  32.16   3.26  -8.77 
1 1 1    2    4    8 o  108.681   1.2507  104.906   62.600  -0.36  -0.43   0.00   0.00 
1 1 1    2    4    9 o   65.122   0.2835   52.264  109.400   0.02  -0.10  -0.04  -0.11 
1 1 1    2    4   10 f   32.858   0.6680   40.662  -6.3000   0.39   5.85   2.87  -0.60 
1 1 1    2    4   11 o   12.492   1.7626   12.954   54.200  22.11  -1.07  -7.71   0.65 
1 1 1    2    4   12 o   50.135   0.2306   40.709  -6.7000   0.31   0.11   0.79  -0.04 
1 1 1    2    4   13 o   19.622   3.7956   35.845 -128.2000   7.94 -80.70  24.82   5.36 
1 1 1    2    4   14 o   6.3512   0.9930   1.9758   52.000  -6.71  -4.73  -1.39  -4.21 
1 1 1    2    4   15 o   28.959   0.3595   43.120  121.800  -1.14  -0.18  -0.25  -0.03 
1 1 1    2    4   16 f   66.224   0.3004   68.912   33.700   0.08   1.16   1.97   2.97 
1 1 1    2    4   17 o   27.926   0.6635   11.890 -131.8000  -2.04  -2.07  -0.08  -1.03 
1 1 1    2    4   18 o   26.354   0.1734   32.264 -82.8000   0.12  -0.06  -0.32   0.04 
1 1 1    2    4   19 o   63.314   1.2618   52.228 -77.9000  -6.55 -13.95   2.15  -2.91 
1 1 1    2    4   20 o   25.834   0.8782   25.862 -174.6000   0.49 -10.92   5.33   0.34 
1 1 1    2    4   21 o   30.248   1.7792   39.430 -54.8000   6.75 -11.54   1.24   2.32 
1 1 1    2    4   22 o   77.727   0.3732   71.818 -89.7000  -0.87  -0.09  -1.79   1.26 
1 1 1    2    4   23 o   51.605   0.6360   63.070 -12.1000   3.60 -12.83  10.27   4.78 
1 1 1    2    4   24 o   57.495   0.2873   50.283   47.200   0.41  -0.62   2.84   1.06 
1 1 1    2    4   25 o   14.438   1.9546   4.0803  111.500 -21.26 -23.80   1.52 -15.57 
1 1 1    2    4   26 o   22.698   1.0778   24.450  155.200   3.20   7.96   2.49  -2.69 
1 1 1    2    4   27 o   78.942   1.7225   83.460  158.600  -8.10  21.44   4.57   3.41 
1 1 1    2    4   28 o   24.306   0.2060   26.022   6.4000   0.12   1.99   2.07   0.06 
1 1 1    2    4   29 o   39.071   1.0926   48.597  138.300 -21.76   1.48  -8.47   0.64 
1 1 1    2    4   30 o   28.752   1.1113   24.356 -119.1000 -11.23 -17.00   2.09  -5.52 
1 1 1    2    4   31 o   57.408   1.4397   70.854 -37.4000   2.76 -26.36  14.60   0.86 
1 1 1    2    4   32 o   23.756   0.2112   19.168  158.600   0.18  -1.28   1.12   1.25 
1 1 1    2    4   33 o   22.512   0.8684   19.412  127.100  -5.54   3.53  -0.46   1.31 
1 1 1    2    4   34 o   12.082   0.3968   12.559 -14.2000   3.42   1.33  -1.20  -1.49 
1 1 1    2    4   35 o   23.747   0.2267   31.947  161.700  -3.14  -3.23   7.29 -10.81 
1 1 1    2    4   36 o   5.9675   0.5447   6.7302   90.000   0.36   0.35   0.02  -0.08 
1 1 1    2    4   37 o   6.8163   1.0774   4.3046   23.600   0.86   2.99   0.36  -0.19 
1 1 1    2    4   38 o   26.958   0.2436   27.045  124.900  -9.47  -2.27  -4.29  -4.47 
1 1 1    2    4   39 o   4.0758   1.2852   8.1853 -166.5000  -1.00  -0.41  -0.09  -0.07 
1 1 1    2    4   40 o   6.3540   1.2590   4.3736 -126.8000  -3.66   2.45  -0.24   0.83 
1 1 1    2    4   41 o   3.3953   1.6366   5.1643 -115.8000  -1.13  -3.07   0.73  -0.40 
1 1 1    2    5    1 o   58.878   0.5429   39.583   30.900   0.83   1.55   0.60   0.39 
1 1 1    2    5    3 o   52.700   2.1337   47.779   48.300  41.52  -3.61 -20.59   2.57 
1 1 1    2    5    4 o   83.501   2.2424   96.408  -2.3000  10.23   6.18  -4.54  -5.66 
1 1 1    2    5    6 o   63.594   0.9556   33.400   41.500   3.88  -2.57  -0.68   5.21 
1 1 1    2    5    7 o   69.017   3.9794   79.604  137.800 -49.99  27.67  -7.17  10.54 
1 1 1    2    5    8 o   21.931   0.4717   17.843 -109.9000  -0.49  -1.53   0.34  -0.21 
1 1 1    2    5    9 o   96.095   0.4864  101.518 -37.3000   9.27  10.23  15.59 -29.60 
1 1 1    2    5   10 o  119.495   3.9005  113.162   15.000  24.89   1.60  -5.19   0.03 
1 1 1    2    5   11 o   77.411   1.6635   75.707   25.500   6.62  10.15   0.86  -2.55 
1 1 1    2    5   12 o   68.887   0.5376   58.205   25.100   2.73   1.24  -1.19  -0.60 
1 1 1    2    5   13 o   8.2005   1.6822   18.866 -134.1000 -14.82  -5.85  -3.76  -3.63 
1 1 1    2    5   14 o   35.661   1.3457   22.668 -69.7000   1.20 -10.90   3.79   1.31 
1 1 1    2    5   15 o   31.267   3.5349   27.166 -45.6000  78.70   7.96 -22.86  -3.89 
1 1 1    2    5   16 o   13.246   1.8218   25.669   20.000  -7.05  37.15  17.68   7.26 
1 1 1    2    5   17 o   9.1784   0.6454   5.5206  160.400   6.52  -2.28  -3.48   2.63 
1 1 1    2    5   18 f   21.971   0.4355   25.070 -152.5000   1.49  -1.82   0.44   1.55 
1 1 1    2    5   19 o  123.071   0.5155  121.437   28.000   4.96  -3.63  -0.04   5.91 
1 1 1    2    5   20 o   8.4930   1.4585   9.7708   30.300  11.24   6.02  -2.15  -3.27 
1 1 1    2    5   21 f   28.602   0.5057   21.542  151.000   3.39   3.15  -0.39  -2.94 
1 1 1    2    5   22 o   66.733   1.8055   58.316 -102.5000  -7.32 -14.25   1.70  -2.75 
1 1 1    2    5   23 o   63.013   0.5419   54.619 -149.4000  -0.38   1.81   2.36   5.99 
1 1 1    2    5   24 o   50.288   1.1101   40.850  156.400 -10.77   5.96  -1.39   2.43 
1 1 1    2    5   25 o   12.874   0.3815   37.528  131.200  -0.07   0.13   0.01   0.02 
1 1 1    2    5   26 o   76.581   1.6362   68.746  174.000 -11.02   5.31  -1.82   3.12 
1 1 1    2    5   27 o   21.384   2.9037   34.619   84.400 -16.05  90.09  24.05   8.59 
1 1 1    2    5   28 o   28.377   0.8759   25.628   3.6000   0.59  12.10   4.49  -0.18 
1 1 1    2    5   29 o   25.764   0.6751   23.815   68.100  12.21  -1.48  -5.56   1.73 
1 1 1    2    5   30 o   3.3196   0.9914   7.1491   1.9000  -1.53   0.00  -0.51   0.03 
1 1 1    2    5   31 o   22.734   1.8230   25.882   6.9000  38.77  16.18  -8.69  -9.45 
1 1 1    2    5   32 o   9.3963   0.3513   4.2903  171.200  -1.23   0.27  -0.28   0.09 
1 1 1    2    5   33 o   4.4020   0.6594   6.3818 -156.8000  -1.09  -0.42  -0.46  -0.31 
1 1 1    2    5   34 o   7.3073   0.7741   8.3830  115.400   1.06   0.08  -0.09  -0.01 
1 1 1    2    5   35 o   17.348   0.8671   14.943 -173.0000  -9.77   3.81  -2.20   2.45 
1 1 1    2    5   36 o   28.147   1.0853   28.987  138.200  -3.71   9.95   3.82   1.80 
1 1 1    2    5   37 o   10.269   0.4528   7.6817   98.700  -5.25   0.33  -2.49  -0.08 
1 1 1    2    5   38 o   18.432   0.2593   17.834 -89.0000  -0.93   0.04  -0.32  -0.18 
1 1 1    2    5   39 o   10.206   0.3819   12.879   65.600  -0.10  -0.52  -2.53   2.11 
1 1 1    2    5   40 o   10.406   0.5246   10.143  -6.7000   2.54   0.34  -0.77  -0.00 
1 1 1    2    5   41 o   3.6901   1.0245   2.9408   96.300  -0.29  -0.69   0.11  -0.06 
1 1 1    2    6    0 f   94.800   0.8919   63.122  -0.3000  -0.03   0.00   0.00   0.00 
1 1 1    2    6    1 o   58.936   0.6061   56.899   22.600   4.24  -1.89  -1.71   2.93 
1 1 1    2    6    2 o   99.132   1.6074  109.933   5.6000  -0.19  -0.81   0.00   0.00 
1 1 1    2    6    3 o   35.260   0.9242   39.578  107.900 -11.36  -1.68 -26.36  -4.20 
1 1 1    2    6    4 o   32.308   0.5503   24.292 -35.8000   2.03   2.93   1.12  -7.42 
1 1 1    2    6    5 f   44.428   1.4349   29.593 -16.4000   7.70  -5.00  -1.73   5.18 
1 1 1    2    6    6 o   32.543   1.5378   38.772 -35.1000   6.91  -0.91  -2.00   0.66 
1 1 1    2    6    7 o   62.370   1.8791   57.098   72.100  -0.75   9.83   2.98   0.19 
1 1 1    2    6    8 o   13.638   1.9973   8.5484 -16.1000  -5.80 -22.96   5.08  -2.67 
1 1 1    2    6    9 o   24.540   0.5133   33.993  147.000   0.51   0.83   0.20  -0.62 
1 1 1    2    6   10 o   46.643   2.4505   47.091   23.100  28.00  -4.40  -7.30   2.65 
1 1 1    2    6   11 o   19.266   1.9089   28.497 -164.5000 -13.83   0.99  -2.97   0.53 
1 1 1    2    6   12 o   67.296   2.0676   67.720   43.800 -11.04  35.55  12.76  10.98 
1 1 1    2    6   13 o   16.915   0.5972   21.948  170.000  -3.29  -0.32  -1.26  -0.39 
1 1 1    2    6   14 o   41.222   0.2441   45.459 -89.9000   0.98  -0.14  -0.86  -0.44 
1 1 1    2    6   15 o   53.760   1.5582   49.992   96.100  15.63   7.37  -4.68  -4.26 
1 1 1    2    6   16 o   45.460   0.6136   32.359  174.400  -2.31   1.86  -0.19   0.57 
1 1 1    2    6   17 f   13.351   1.2858   32.600 -48.7000  -4.06  -7.55   1.19  -1.86 
1 1 1    2    6   18 o   21.187   0.3596   24.772  151.900   0.02   1.76   0.87   0.04 
1 1 1    2    6   19 o   42.103   0.4142   47.962   20.700   1.39  -0.86  -0.27   0.75 
1 1 1    2    6   20 o   60.148   0.8526   67.042   75.200  -4.20   2.57  -0.81   1.33 
1 1 1    2    6   21 o   39.198   1.9547   47.753 -166.5000   2.09 -43.75  20.15   2.39 
1 1 1    2    6   22 o   19.052   1.1139   13.192  -4.0000   3.58  -5.06   0.52   1.66 
1 1 1    2    6   23 o   51.282   0.6062   65.920 -161.2000  -6.13   3.97  -2.46   4.38 
1 1 1    2    6   24 o   43.089   1.5080   43.088 -150.7000 -14.49 -18.55   1.52  -6.89 
1 1 1    2    6   25 o   38.509   0.7840   29.802   33.300   3.74   4.42   0.56  -2.17 
1 1 1    2    6   26 o   0.0000   2.4860  ?   ?   -0.37   0.12  -0.03   0.02 
1 1 1    2    6   27 o   19.213   0.4249   18.320 -146.8000   2.19  -3.29   0.64   1.80 
1 1 1    2    6   28 o   16.830   1.6422   18.636 -132.1000 -28.73  11.89  -6.92   7.19 
1 1 1    2    6   29 o   5.8560   0.5128   7.0846  124.600   1.68   1.28  -1.32  -3.33 
1 1 1    2    6   30 o   10.722   0.5628   10.479 -137.1000   1.05  -4.31   1.99   1.21 
1 1 1    2    6   31 o   41.406   1.2291   38.053 -19.7000  -4.93 -34.76  19.35  -7.93 
1 1 1    2    6   32 o   17.711   1.4219   12.829 -116.4000 -27.32 -18.07  -4.02 -10.76 
1 1 1    2    6   33 f   23.672   1.3125   13.671  178.200 -19.11  16.13  -0.74   7.23 
1 1 1    2    6   34 o   6.3439   0.4986   10.574 -57.5000  -1.39  -0.26  -1.98  -0.16 
1 1 1    2    6   35 f   11.472   0.3364   17.276  168.600  -1.19  -3.66   3.25  -1.46 
1 1 1    2    6   36 o   19.775   0.2824   18.798 -131.9000  -0.92   0.39  -0.06   0.63 
1 1 1    2    6   37 o   7.0070   0.5285   5.4784 -67.2000   1.10  -4.97   4.42   1.11 
1 1 1    2    6   38 o   6.3626   0.6497   5.5452  104.600  -3.26  -0.37  -1.17  -0.49 
1 1 1    2    6   39 o   3.9517   1.1550   5.9692 -130.4000  -0.64  -1.51   0.18  -0.24 
1 1 1    2    6   40 f   12.532   0.6290   14.563 -33.5000   5.60   0.39  -2.22  -0.88 
1 1 1    2    6   41 f   15.470   1.0547   17.968 -93.1000  -3.87  -4.92   0.51  -1.02 
1 1 1    2    7    0 o   39.598   0.2609   53.741 -180.0000   0.21   0.00   0.00   0.00 
1 1 1    2    7    1 o   8.2963   0.6170   8.6562   86.300  -4.62   1.46  -3.69   2.42 
1 1 1    2    7    2 o   36.579   1.4836   35.185   14.100   5.26   1.62  -0.88  -0.53 
1 1 1    2    7    3 f   29.948   1.0533   44.412 -163.6000  -1.11   4.98   1.32   0.72 
1 1 1    2    7    4 o   47.713   1.1529   46.460   95.300  -5.73   0.94  -3.43   1.71 
1 1 1    2    7    5 o   13.078   1.6281   11.785  145.900  -2.71   4.37   0.34   0.67 
1 1 1    2    7    6 f   20.449   1.6255   32.123 -27.0000  17.71 -15.05  -1.18   6.48 
1 1 1    2    7    7 o   89.133   1.8538  105.169  136.800 -65.88 -27.98 -19.80 -23.25 
1 1 1    2    7    8 o   18.066   2.7355   33.455  104.100 -15.53  50.10  16.29  10.88 
1 1 1    2    7    9 o   48.307   3.4823   42.229 -143.5000 -60.03  18.59 -20.50  15.01 
1 1 1    2    7   10 o   35.009   0.1732   24.037   33.500  -1.77   6.00  12.16  16.17 
1 1 1    2    7   11 o   17.866   2.3420   13.564   84.000   7.99  25.13   6.08  -4.54 
1 1 1    2    7   12 o   44.362   0.9969   35.253   88.800  18.13   4.08 -12.20  -7.84 
1 1 1    2    7   13 f   31.499   2.4282   44.075 -149.6000 -25.79   0.01  -6.70   0.38 
1 1 1    2    7   14 o   18.495   0.1673   28.730   19.200   0.04  -0.07  -0.08  -0.21 
1 1 1    2    7   15 o   24.380   0.1489   41.607  108.300   0.09  -0.06  -0.38  -0.08 
1 1 1    2    7   16 o   63.088   0.7767   65.014  151.300  -2.20   3.71   0.32   0.85 
1 1 1    2    7   17 o   31.575   0.8988   12.250   64.800 -13.64  -1.56 -11.88  -2.07 
1 1 1    2    7   18 o   29.505   1.9516   34.624  140.600  -8.52  25.31   6.35   4.67 
1 1 1    2    7   19 o   9.5952   0.8878   19.793 -58.5000   1.88  -2.38   0.13   0.52 
1 1 1    2    7   20 o   44.966   0.3422   40.236 -57.6000   2.27  -0.67  -1.04   0.52 
1 1 1    2    7   21 o   41.790   2.2850   38.921  107.100  -4.01  23.57   5.64   1.75 
1 1 1    2    7   22 o   37.715   0.9704   35.269   63.200   6.43  -1.87  -2.16   1.63 
1 1 1    2    7   23 o   37.486   0.3761   33.009 -175.3000  -2.19  -2.55   0.13  -2.14 
1 1 1    2    7   24 o   31.425   1.0905   42.423  -8.2000   6.78  -8.25   1.11   4.40 
1 1 1    2    7   25 o   54.420   0.2921   41.182   15.900   0.65  -0.48   2.42   1.16 
1 1 1    2    7   26 o   30.971   0.2104   29.321  112.000   1.62  -0.37  -1.43   0.38 
1 1 1    2    7   27 o   45.393   0.6507   36.235   23.500   4.39   4.35   0.14  -1.76 
1 1 1    2    7   28 o   17.823   0.6987   16.925   7.5000   7.47  -3.08  -2.49   2.73 
1 1 1    2    7   29 o   9.9081   0.9872   11.525 -167.7000 -19.17   3.33  -9.59   3.17 
1 1 1    2    7   30 o   38.009   1.7291   35.865  137.500  -7.84  37.07  10.89   4.07 
1 1 1    2    7   31 o   8.9944   0.7577   9.6133   19.300  -0.38   4.73   1.52   0.33 
1 1 1    2    7   32 o   31.081   0.2555   23.279 -42.5000   1.27   0.81  -0.33  -0.34 
1 1 1    2    7   33 o   5.1470   0.9023   4.9995 -66.7000   3.52   1.17  -1.05  -0.66 
1 1 1    2    7   34 o   10.957   0.8462   11.834   57.100  -3.19  12.09   3.84   2.53 
1 1 1    2    7   35 o   27.114   0.6460   24.776   91.200   2.05   5.28   1.07  -2.20 
1 1 1    2    7   36 o   25.717   0.2457   16.383   54.600  -0.40   0.21   0.44   0.10 
1 1 1    2    7   37 f   20.067   1.2568   14.658  131.800 -16.60  19.26   0.39   5.44 
1 1 1    2    7   38 o   18.557   0.7438   14.364 -54.3000   0.05  -5.91   1.21  -0.17 
1 1 1    2    7   39 o   3.6149   0.8510   1.8590 -87.3000   0.81   0.05  -0.41  -0.24 
1 1 1    2    7   40 o   5.5090   0.6658   9.1084   30.600   0.08   0.08  -0.03   0.12 
1 1 1    2    8    0 o   19.081   0.1714   10.569  -0.8000   0.03   0.00   0.00   0.00 
1 1 1    2    8    1 f   14.863   0.2653   8.4645 -17.5000   0.14  -0.42   0.19   0.20 
1 1 1    2    8    2 o   21.589   0.5331   23.710  166.100   0.56  -4.49   4.27   0.71 
1 1 1    2    8    3 f   39.784   1.2322   30.824 -162.3000  -6.21   0.59  -1.22   0.31 
1 1 1    2    8    4 o   8.0114   0.9404   16.713   21.800   6.41   9.77   2.95  -6.53 
1 1 1    2    8    5 o   28.116   0.9783   28.920 -165.4000  -5.12  -3.59  -1.62  -3.63 
1 1 1    2    8    6 f   36.140   3.0111   36.167   43.500  20.90  62.43  12.14  -8.84 
1 1 1    2    8    7 o   60.548   1.3237   53.758 -75.8000  -0.39  -1.77   1.79  -2.34 
1 1 1    2    8    8 o   28.672   0.4110   24.789  116.500  -0.25  -0.19  -1.56  -0.55 
1 1 1    2    8    9 o   24.907   0.8195   24.860  141.800   2.46  10.57   5.54  -2.21 
1 1 1    2    8   10 o   32.545   0.8096   32.141  144.100   1.11   4.50   4.68  -4.21 
1 1 1    2    8   11 o   43.398   0.8919   41.411 -79.2000   1.97  -1.79   0.29   1.50 
1 1 1    2    8   12 o   25.738   1.3765   19.453  175.500  -7.30  -3.08  -1.69  -1.46 
1 1 1    2    8   13 o   26.977   0.7676   35.842   10.400  -4.62   8.42   3.36   7.43 
1 1 1    2    8   14 o   31.290   0.4222   37.241   49.000  -6.89  11.98  19.22  25.34 
1 1 1    2    8   15 o   6.9966   0.2809   6.5164   40.600  -0.54   2.25   2.59   1.16 
1 1 1    2    8   16 o   69.251   1.5915   77.304 -166.7000  -9.44 -14.24   2.74  -5.32 
1 1 1    2    8   17 o   49.571   0.2419   47.457 -115.0000  -0.28  -0.15  -0.12  -0.07 
1 1 1    2    8   18 o   43.265   0.8083   66.245 -95.2000  -4.98  -0.32  -1.75  -0.12 
1 1 1    2    8   19 o   67.128   1.3711   68.375 -18.6000   8.97  -5.18  -1.38   2.83 
1 1 1    2    8   20 o   50.416   0.6652   44.465  167.300  -2.28  -2.64   0.17  -0.76 
1 1 1    2    8   21 o   32.349   1.1487   30.214 -32.6000  -1.19  -8.28   2.54  -0.60 
1 1 1    2    8   22 f   37.256   2.3313   38.160   95.600   4.66  58.32  13.18  -2.30 
1 1 1    2    8   23 o   45.085   0.6960   25.198 -81.6000   7.33  -3.22  -1.97   2.42 
1 1 1    2    8   24 o   17.073   0.5904   23.217   80.400   1.13   2.73   1.07  -1.24 
1 1 1    2    8   25 o   45.269   0.7751   46.892   31.000   3.71   1.49  -1.84  -1.17 
1 1 1    2    8   26 o   63.163   1.8962   45.564   26.400  25.59 -20.93  -1.33   9.31 
1 1 1    2    8   27 o   41.474   1.0486   36.225 -31.8000   4.46 -13.23   2.70   2.36 
1 1 1    2    8   28 o   46.433   1.8461   44.504   5.4000  43.69 -23.43  -7.26   9.95 
1 1 1    2    8   29 o   13.063   0.7684   5.4180   43.800  -3.21  12.29   6.80   3.35 
1 1 1    2    8   30 o   25.896   0.9749   29.804   56.800  -3.60  14.35   5.76   3.78 
1 1 1    2    8   31 o   19.466   0.3329   17.265   11.500   0.44   4.22   6.91   0.65 
1 1 1    2    8   32 o   25.531   1.4414   30.072   30.400  39.90 -18.25  -9.55  12.56 
1 1 1    2    8   33 o   19.272   0.2358   16.675 -163.1000  -0.45   0.02   2.19  -0.02 
1 1 1    2    8   34 o   22.439   1.6998   22.381   30.100  37.08  30.79  -1.61 -11.72 
1 1 1    2    8   35 o   11.619   0.8328   13.326  102.700   0.68   3.65   0.52  -0.29 
1 1 1    2    8   36 o   10.958   0.3497   10.144 -61.5000  -0.05  -0.79   0.22   0.04 
1 1 1    2    8   37 o   4.6467   0.7050   7.6649   6.9000   0.23  -1.68   1.32  -0.06 
1 1 1    2    8   38 o   9.9080   0.9420   5.6533  171.700 -10.80   0.08  -3.51  -0.29 
1 1 1    2    8   39 o   10.327   0.4095   7.5848  148.100  -0.29  -0.19  -0.40   0.29 
1 1 1    2    8   40 o   15.563   1.0542   15.867   24.700   8.22   5.70  -0.33  -3.50 
1 1 1    2    9    0 o   15.903   0.1618   18.423 -180.0000  -0.05   0.00   0.00   0.00 
1 1 1    2    9    1 o   11.406   1.5645   9.1991 -161.7000  -7.16 -14.39   2.97  -3.84 
1 1 1    2    9    2 o   48.176   2.9739   59.540   39.600  54.72   2.98 -13.61  -1.12 
1 1 1    2    9    3 o   8.1551   0.6588   19.099 -17.2000   3.34  -4.66   1.09   3.47 
1 1 1    2    9    4 f   70.835   0.8530   71.820 -48.6000  -7.14 -12.86  10.19 -31.13 
1 1 1    2    9    5 o   27.983   1.8932   39.198  136.600   7.20  23.05   5.54  -3.64 
1 1 1    2    9    6 f   56.993   2.4970   47.336 -145.2000   0.34 -28.31   7.26  -0.16 
1 1 1    2    9    7 f   14.788   2.1799   24.233   46.700  25.36   3.15  -7.79  -1.78 
1 1 1    2    9    8 o   58.157   2.3771   50.486 -138.2000 -22.41  10.65  -6.50  10.36 
1 1 1    2    9    9 o   18.687   2.7671   25.866 -143.8000 -34.95  11.93  -8.31   6.73 
1 1 1    2    9   10 o   31.412   2.2783   38.268 -51.4000  15.08 -23.02   3.63   7.16 
1 1 1    2    9   11 o   14.822   1.6910   21.208   37.400  18.85  -8.34  -4.96   5.85 
1 1 1    2    9   12 o   42.488   3.3784   42.987  178.800 -82.35  49.14 -17.73  37.50 
1 1 1    2    9   13 o   33.796   0.3443   40.614 -172.1000  -0.03   1.61   0.73   0.16 
1 1 1    2    9   14 f   18.216   2.7298   9.1095   1.9000  26.41  54.28  10.40 -13.59 
1 1 1    2    9   15 o   42.228   1.1596   34.715 -13.6000   7.57   7.44  -0.27  -3.76 
1 1 1    2    9   16 o   56.319   1.0214   49.642   85.500  -8.88   3.80  -2.76   2.45 
1 1 1    2    9   17 o   87.492   0.5066   89.640 -154.5000  -2.84   1.67  -0.58   1.98 
1 1 1    2    9   18 f   60.006   0.6948   67.005 -12.6000   2.49   1.38  -0.58  -1.27 
1 1 1    2    9   19 o   63.637   0.7942   58.741  174.900  -4.32   2.15  -1.19   1.27 
1 1 1    2    9   20 o   22.468   0.2699   18.659 -117.3000   0.31  -0.28   0.05   0.28 
1 1 1    2    9   21 o   30.974   1.0622   47.074 -108.8000  -4.76  -3.14  -0.75  -1.49 
1 1 1    2    9   22 o   53.275   0.5531   53.300  154.200   0.75   6.12  13.63  -6.59 
1 1 1    2    9   23 o   62.367   0.4620   53.915 -113.6000   0.43  -1.84   0.64   0.57 
1 1 1    2    9   24 o   23.586   1.1908   30.124   66.100   6.42   6.07  -0.36  -3.16 
1 1 1    2    9   25 o   41.180   0.2237   33.701 -51.9000  -0.03  -0.04   0.02   0.03 
1 1 1    2    9   26 o   31.049   0.2179   33.081   59.500  -0.10  -0.15  -0.42   1.56 
1 1 1    2    9   27 o   54.132   0.7822   56.394 -32.2000   5.10   4.72   0.70  -4.81 
1 1 1    2    9   28 o   11.517   0.6687   13.781   58.100 -15.59   9.96  -7.42  14.52 
1 1 1    2    9   29 o   18.260   0.9318   25.578 -153.9000  -7.13 -13.25   4.41  -5.90 
1 1 1    2    9   30 o   42.373   0.4653   40.130  115.800   1.67   2.53   0.10  -0.51 
1 1 1    2    9   31 o   2.6263   1.2346   7.9770 -49.5000  -1.40  -0.80  -0.55  -0.72 
1 1 1    2    9   32 o   26.422   0.5108   22.914 -72.5000  -1.49  -9.24   5.13  -2.83 
1 1 1    2    9   33 o   40.412   0.2548   46.095 -50.5000   1.14   0.50  -0.01  -0.44 
1 1 1    2    9   34 o   5.8025   1.4217   12.830   40.600   0.01   4.68   0.73   0.03 
1 1 1    2    9   35 f   18.734   0.2275   11.811   43.800  -0.35   0.01   0.01   0.36 
1 1 1    2    9   36 f   14.742   1.6431   11.306  149.000 -11.87  38.04   9.73   5.94 
1 1 1    2    9   37 o   15.444   0.4816   12.193  166.800  -2.27   4.22   0.71   2.19 
1 1 1    2    9   38 o   18.218   0.5809   20.988 -94.7000  -2.81  -2.69  -0.16  -0.67 
1 1 1    2    9   39 o   8.2011   0.4506   9.8235 -64.3000   1.05  -1.01  -0.43   0.78 
1 1 1    2    9   40 o   5.4673   1.9035   7.3049  165.800  -0.25   3.80   0.57   0.15 
1 1 1    2   10    0 o   19.937   0.1765   20.319  -0.8000   0.01   0.00   0.00   0.00 
1 1 1    2   10    1 f   26.236   0.7469   31.483  -3.4000   5.22   5.41   0.45  -4.62 
1 1 1    2   10    2 o   63.469   2.7607   57.915   60.000  50.64  15.84 -10.63  -6.80 
1 1 1    2   10    3 o   38.041   0.4577   26.511  111.700  -6.64   0.32 -20.78  -2.53 
1 1 1    2   10    4 o   57.863   1.8879   59.395 -132.7000   4.10 -19.75   4.15   2.28 
1 1 1    2   10    5 o   18.277   0.6761   18.739  169.800  -2.65   3.19   0.71   2.43 
1 1 1    2   10    6 o   31.043   1.5015   23.954 -21.6000   9.05  -5.40  -1.57   2.47 
1 1 1    2   10    7 o   24.318   0.7420   18.261  117.400   6.75   2.27  -4.48  -2.66 
1 1 1    2   10    8 o   68.905   0.7881   51.966 -102.3000  -1.63  -0.87  -3.13   0.26 
1 1 1    2   10    9 o   15.936   2.1431   10.122   50.300  19.44 -16.57  -0.99   5.29 
1 1 1    2   10   10 o   40.909   1.7557   41.681  104.500  -2.89  10.64   2.68   1.17 
1 1 1    2   10   11 o   37.679   1.2334   29.795  123.300   0.74   9.04   3.11  -0.97 
1 1 1    2   10   12 o   53.172   1.4661   63.070 -35.8000 -16.69 -27.90  10.64 -24.71 
1 1 1    2   10   13 o   69.243   0.2936   71.502 -92.4000   0.19   0.21  -0.07  -0.08 
1 1 1    2   10   14 o   11.211   0.2073   11.238   47.900   0.16  -0.12  -0.02   0.29 
1 1 1    2   10   15 o   18.453   2.5464   14.102  -9.0000  33.88   8.56  -7.06  -3.91 
1 1 1    2   10   16 o   88.056   2.3186   88.840 -148.8000 -22.68   1.33  -5.78   0.36 
1 1 1    2   10   17 o   55.565   0.6723   57.213  167.300  -0.70   1.82   0.19   0.20 
1 1 1    2   10   18 o   46.822   0.6619   59.152 -69.9000  -2.57  -2.74  -0.06  -1.66 
1 1 1    2   10   19 o   39.543   1.7425   47.193 -58.5000  12.73 -15.76   1.20   4.92 
1 1 1    2   10   20 o   34.472   0.2126   26.258  112.800   0.55   0.54   0.36  -0.90 
1 1 1    2   10   21 o   63.553   1.1861   61.155 -33.7000  14.74  -2.63  -3.83   1.18 
1 1 1    2   10   22 o   19.103   0.2235   37.248 -45.1000   0.80   0.02  -2.54  -1.08 
1 1 1    2   10   23 o   45.831   0.2985   36.611 -78.9000  -1.19  -0.84  -7.04  -3.13 
1 1 1    2   10   24 o   31.175   0.8850   31.034   13.900   5.33   1.72  -1.77  -1.04 
1 1 1    2   10   25 o   49.139   0.2532   53.985   48.300  -2.56   4.16   1.60   8.39 
1 1 1    2   10   26 o   47.518   0.7433   51.710   44.800  -7.72  17.34  10.97  16.25 
1 1 1    2   10   27 o   31.022   0.6991   35.738 -15.2000   2.84   3.06   0.00  -0.49 
1 1 1    2   10   28 f   50.935   0.2831   50.646   41.100  -4.22   9.29   9.88   5.78 
1 1 1    2   10   29 f   21.186   0.6961   20.930   7.4000   6.81   3.08  -2.10  -2.99 
1 1 1    2   10   30 o   8.1847   0.7585   6.9601 -153.2000  -4.00   0.10  -1.15  -0.03 
1 1 1    2   10   31 o   15.924   0.4880   19.933   67.800  -3.97   5.47   0.90   6.23 
1 1 1    2   10   32 o   7.1901   0.8239   6.7034  127.900  -3.05  -2.35  -0.16  -0.87 
1 1 1    2   10   33 o   16.489   0.2536   12.687   3.9000  -1.10  -1.82   2.45  -1.79 
1 1 1    2   10   34 o   9.9352   1.1401   10.332   59.500  13.51   1.58  -4.04  -1.36 
1 1 1    2   10   35 o   8.4722   0.4206   12.490 -96.3000   0.47  -1.92   1.34   1.53 
1 1 1    2   10   36 o   7.5879   0.8919   4.8275  -7.0000   1.19  -4.25   0.68   0.51 
1 1 1    2   10   37 o   20.503   0.6942   18.260 -17.1000   0.72  -2.07   0.20   0.10 
1 1 1    2   10   38 o   5.4788   1.3360   5.2230 -101.1000  -4.72   0.20  -1.32  -0.06 
1 1 1    2   10   39 o   8.8303   0.4818   6.4833  102.400  -0.45  -0.13   0.17  -0.47 
1 1 1    2   11    0 o   33.454   0.2492   25.370 -179.3000  -0.19   0.00   0.00   0.00 
1 1 1    2   11    1 o   18.792   1.0492   18.779   6.5000   1.03   9.81   4.40  -1.21 
1 1 1    2   11    2 o   25.410   2.6533   37.950  -3.4000  40.67 -19.36  -7.49   9.78 
1 1 1    2   11    3 o   27.794   0.2221   22.704 -150.2000   0.07  -0.76  -1.91   7.42 
1 1 1    2   11    4 o   27.449   0.8106   31.024   53.000   9.79  -1.74  -6.65   1.68 
1 1 1    2   11    5 f   26.388   1.2466   9.0152   12.900  -2.58  24.07  19.18   5.63 
1 1 1    2   11    6 o   38.928   4.2102   46.364   45.200  79.90  40.66 -12.51 -16.18 
1 1 1    2   11    7 o   5.5877   0.8095   2.4479 -26.2000   1.52  -1.24  -0.05   0.29 
1 1 1    2   11    8 o   31.379   2.0647   18.375   60.500  25.24  15.51  -5.15  -8.76 
1 1 1    2   11    9 o   46.791   0.4470   59.677   73.800  -0.90   0.71   0.19   0.52 
1 1 1    2   11   10 f   17.547   1.9926   12.450  152.300  65.67 -15.83 -40.82  21.81 
1 1 1    2   11   11 o  123.178   0.5371  116.175 -13.9000   2.11  -0.03   6.42   1.55 
1 1 1    2   11   12 o   39.144   2.1489   26.375 -93.4000 -16.56 -25.00   2.88  -7.57 
1 1 1    2   11   13 o   48.124   0.6006   49.100  135.600   2.00   2.21   0.16  -0.75 
1 1 1    2   11   14 o   28.140   2.1174   13.187 -21.5000  33.84   4.63 -10.15  -2.62 
1 1 1    2   11   15 o  100.003   1.1012   92.080   40.600   6.41  -1.49  -1.01   0.63 
1 1 1    2   11   16 o   32.853   0.1800   16.945  131.300   0.05   0.07   0.03  -0.04 
1 1 1    2   11   17 o   71.241   0.3102   53.831 -172.0000  -0.80   0.62   0.01   0.36 
1 1 1    2   11   18 o   38.371   0.9610   30.625  117.400 -12.77   5.51  -4.08   4.70 
1 1 1    2   11   19 o   52.300   1.1485   39.953 -48.8000   6.98  -3.97  -0.95   1.98 
1 1 1    2   11   20 o   54.414   0.2584   38.912   13.900   0.29  -0.33   0.41   0.45 
1 1 1    2   11   21 o   48.348   1.5260   70.525 -139.6000 -13.73 -26.35   4.61  -7.03 
1 1 1    2   11   22 o   19.093   0.3219   17.771   17.700   0.37  -0.11  -0.06   0.03 
1 1 1    2   11   23 o   27.599   0.7306   25.623  139.900   7.83   8.37  -0.21  -9.31 
1 1 1    2   11   24 o   22.066   0.4586   18.414  102.200  -4.51  -2.28  -1.71  -2.03 
1 1 1    2   11   25 f   17.456   1.5071   30.406 -92.1000  15.24 -15.54   0.01   5.14 
1 1 1    2   11   26 o   20.585   2.3822   36.464   7.9000  69.93  29.09 -15.70 -16.29 
1 1 1    2   11   27 o   40.869   0.2460   42.372 -31.3000  -1.63  -2.69  -0.01  -6.84 
1 1 1    2   11   28 o   16.994   0.2815   7.8311   39.700   0.39  -0.71   0.13   0.43 
1 1 1    2   11   29 o   16.892   0.4458   18.224  141.900  -7.99  -7.94   1.88 -15.65 
1 1 1    2   11   30 o   13.824   1.1854   16.440 -149.7000 -14.62  22.60   5.05   9.96 
1 1 1    2   11   31 o   32.378   0.5508   29.619  128.000  -7.76  -2.87  -2.71  -1.52 
1 1 1    2   11   32 o   13.217   0.2700   10.813 -56.8000   0.14  -0.17   0.05  -0.89 
1 1 1    2   11   33 f   20.507   0.2377   21.588   8.8000   0.52  -0.19  -0.09   0.03 
1 1 1    2   11   34 o   6.0250   0.5448   4.1891  173.500   0.30  -0.04   0.13   0.80 
1 1 1    2   11   35 o   6.1607   0.5283   9.3318  140.300  -0.15  -0.01   0.42   0.08 
1 1 1    2   11   36 o   21.891   0.6468   18.335  133.300   3.05   7.00   1.43  -2.71 
1 1 1    2   11   37 o   11.701   0.9651   15.467 -165.0000  -6.17   1.08  -0.91   0.23 
1 1 1    2   11   38 o   9.1361   0.4178   5.4672 -145.8000   0.31  -0.86   0.67   0.02 
1 1 1    2   11   39 o   15.744   0.3123   16.399 -135.1000  -1.41  -1.12  -3.41   2.53 
1 1 1    2   12    0 o   31.190   0.3064   31.776 -179.4000  -0.07   0.00   0.00   0.00 
1 1 1    2   12    1 o   27.226   0.9682   24.283 -44.4000   6.23  13.52   9.32  -8.96 
1 1 1    2   12    2 o   73.786   2.3004   72.461  110.500  -2.20  30.87   8.51  -0.01 
1 1 1    2   12    3 o   28.724   3.0465   31.392  138.100 -69.65  -3.08 -21.60  -2.71 
1 1 1    2   12    4 f   28.124   0.4375   34.121 -69.4000   4.87  -0.85  -5.01   0.52 
1 1 1    2   12    5 o   29.227   2.3053   22.299  153.400 -24.24  25.76   0.88   8.33 
1 1 1    2   12    6 o   29.686   1.5690   21.915   94.900   7.96   8.92   0.09  -1.85 
1 1 1    2   12    7 o   36.418   1.5550   43.841   62.500  -7.24  15.59   3.17   4.56 
1 1 1    2   12    8 o   30.150   0.3021   42.779   74.900  -8.50   2.81 -17.73   9.43 
1 1 1    2   12    9 o   46.055   1.0423   51.432 -95.9000  -1.74  -6.89   1.73  -1.16 
1 1 1    2   12   10 o   47.177   3.2135   27.201   37.200  59.61  17.09 -12.90  -7.53 
1 1 1    2   12   11 o   90.385   1.1027   74.883  103.800  -2.88   4.02   0.12   0.61 
1 1 1    2   12   12 o   28.519   0.3768   28.234   79.900   1.52   2.13   0.45  -1.01 
1 1 1    2   12   13 o   77.378   1.2212   69.189 -82.4000  -0.95  -7.43   1.62  -0.24 
1 1 1    2   12   14 o   29.955   0.6065   36.856   14.700  -1.82   3.45   0.98   1.62 
1 1 1    2   12   15 o   56.012   1.5874   50.864  -5.1000  11.36   8.68  -0.87  -3.83 
1 1 1    2   12   16 o   15.026   1.8034   6.0996 -167.4000 -22.30  -3.80  -5.15  -1.75 
1 1 1    2   12   17 o   46.933   1.3150   44.234 -141.7000   5.96 -15.05   3.41   3.47 
1 1 1    2   12   18 o   72.229   0.3181   60.364   6.8000   0.78   0.19   4.70  -0.52 
1 1 1    2   12   19 o   57.970   0.4083   60.700   68.200   2.92   1.67  -1.75  -2.02 
1 1 1    2   12   20 o   18.319   0.2422   17.319   86.000   1.26  -0.40  -6.01   7.18 
1 1 1    2   12   21 o   24.112   0.8443   10.694 -105.6000   2.79  -2.51  -0.11   0.72 
1 1 1    2   12   22 f   27.531   0.5632   29.716 -38.9000  -1.44  -2.19   0.23  -0.76 
1 1 1    2   12   23 o   31.691   0.6505   37.452 -97.7000   5.26  -2.70  -4.17   4.20 
1 1 1    2   12   24 o   5.3074   0.5680   2.1094   91.700   0.54   1.35   0.62  -0.66 
1 1 1    2   12   25 o   55.734   0.7758   60.889   26.300   8.19  -6.93   0.28   8.15 
1 1 1    2   12   26 o   16.292   2.0352   12.665   36.900  56.96  51.80  -1.67 -20.28 
1 1 1    2   12   27 o   49.042   0.7646   47.301  163.600  -2.24  12.47  10.61   1.19 
1 1 1    2   12   28 o   7.4957   0.8043   16.507  102.600  -7.70   7.00  -0.28   6.37 
1 1 1    2   12   29 o   8.1425   1.2300   0.5593 -93.7000  12.65   3.23  -3.37  -2.02 
1 1 1    2   12   30 o   17.143   0.2372   11.784 -10.0000  -0.01   0.27   0.05   0.03 
1 1 1    2   12   31 o   25.079   0.4720   23.405 -145.5000  -4.75   1.16  -2.33   0.52 
1 1 1    2   12   32 o   3.5373   0.8174   1.2095 -158.5000   0.72   0.16  -0.24  -0.06 
1 1 1    2   12   33 o   27.637   0.4333   26.058 -16.4000   2.07  -0.43  -0.35   0.52 
1 1 1    2   12   34 o   20.604   0.2972   18.633   76.300   0.81   0.61  -0.32  -0.26 
1 1 1    2   12   35 o   9.0229   0.5710   12.744 -137.3000  -1.24  -0.85  -0.13  -0.20 
1 1 1    2   12   36 o   20.378   0.2608   19.894  140.100  -0.98   3.05   3.73  -0.29 
1 1 1    2   12   37 o   13.318   0.7299   14.514 -22.7000   1.32  -4.77   1.44   0.45 
1 1 1    2   12   38 o   4.0871   0.8632   8.0421  116.400  -0.17   0.32   0.02   0.02 
1 1 1    2   12   39 o   18.112   0.4004   11.506 -90.9000   0.42  -2.08   0.63  -0.16 
1 1 1    2   13    0 o   15.808   0.1999   21.100   1.1000  -0.33   0.00   0.00   0.00 
1 1 1    2   13    1 o   10.495   1.5943   4.7604 -124.3000  14.63  15.05   0.02  -8.00 
1 1 1    2   13    2 o   45.417   0.2105   44.023   54.000  -2.10   2.38 -12.16   7.86 
1 1 1    2   13    3 o   37.884   0.5084   31.686   40.100   5.15  -3.31  -3.09   3.72 
1 1 1    2   13    4 o   50.403   1.4755   34.766   68.900 -16.18  14.75   0.39   8.88 
1 1 1    2   13    5 o   15.908   2.6347   31.611   65.800 -18.53  57.15  15.82  11.75 
1 1 1    2   13    6 o   57.491   1.6213   49.962  166.500 -12.65  10.16  -0.52   3.57 
1 1 1    2   13    7 o   73.137   2.7420   63.050 -79.3000  10.00 -42.50   7.69   4.39 
1 1 1    2   13    8 o   10.701   2.1623   19.590   97.600  11.43  23.86   3.33  -4.06 
1 1 1    2   13    9 o   93.766   1.4254  102.743  108.700   0.40  10.36   2.83  -0.76 
1 1 1    2   13   10 o   29.165   1.3848   25.585  169.700 -10.47  11.50   0.61   4.89 
1 1 1    2   13   11 o   97.326   0.4049   91.191  -1.8000   3.43   3.76   1.15  -2.80 
1 1 1    2   13   12 o   53.701   3.0386   44.671 -167.4000 -54.97 -11.57 -14.81  -6.15 
1 1 1    2   13   13 o   52.210   0.4836   47.687 -134.9000   0.69  -2.47   0.97   0.77 
1 1 1    2   13   14 o   57.610   1.8159   57.354   20.000  25.89  -5.39  -6.85   3.27 
1 1 1    2   13   15 o   81.904   0.6870  102.126  -4.5000   0.64   2.46   0.95  -0.28 
1 1 1    2   13   16 o   50.138   0.2430   34.091 -128.3000  -0.87   2.95   2.79   2.77 
1 1 1    2   13   17 o   70.175   1.0415   74.296 -35.4000   3.06  -5.79   0.56   1.08 
1 1 1    2   13   18 o   39.167   0.4359   22.406  156.100   0.00   0.79   0.35  -0.06 
1 1 1    2   13   19 o   45.447   0.2369   35.910 -151.5000   1.77  -0.92  -0.47   0.52 
1 1 1    2   13   20 o   74.187   0.3405   59.786 -36.2000   1.17   1.18   1.47  -1.79 
1 1 1    2   13   21 o   23.783   1.5225   23.433  -2.0000  10.02   3.30  -1.91  -1.56 
1 1 1    2   13   22 o   26.201   1.4001   25.259 -68.9000   6.73  -7.74   0.51   2.65 
1 1 1    2   13   23 o   12.048   2.8298   17.490 -31.0000  53.91  18.13 -10.80  -8.07 
1 1 1    2   13   24 o   72.987   0.4149   62.341 -169.1000  -1.13  -2.11   1.53  -0.62 
1 1 1    2   13   25 o   42.687   0.2391   52.108 -69.3000   1.13   0.09  -1.22  -3.13 
1 1 1    2   13   26 o   10.207   0.9022   4.3878   48.800  -1.80   6.17   1.27   0.89 
1 1 1    2   13   27 f   26.813   0.8799   28.474 -56.1000  -2.78 -15.80   5.44  -2.53 
1 1 1    2   13   28 o   31.700   0.7297   26.641   65.600  14.33   3.02  -6.42  -1.94 
1 1 1    2   13   29 o   5.5299   1.6143   10.680  166.100   8.96   3.16  -2.03  -1.50 
1 1 1    2   13   30 o   18.835   0.2265   17.049  171.000  -0.35  -1.11   0.38  -0.12 
1 1 1    2   13   31 o   21.183   0.2338   16.809 -149.7000   0.05  -0.91   0.17   0.08 
1 1 1    2   13   32 f   17.319   0.2436   20.979   31.700   0.07   0.90   0.27   0.13 
1 1 1    2   13   33 o   14.979   0.4299   17.674 -32.4000   1.33   1.23   0.04  -0.29 
1 1 1    2   13   34 o   20.135   0.6780   19.945 -156.7000  -8.86   2.49  -2.74   2.54 
1 1 1    2   13   35 f   9.8853   0.3678   7.7017 -37.5000   1.20   0.38  -0.58  -0.12 
1 1 1    2   13   36 o   5.1608   1.0443   2.0287  124.600   0.35   1.87   0.21  -0.11 
1 1 1    2   13   37 o   11.409   0.3763   10.479 -68.4000  -0.17   0.73  -1.60   1.23 
1 1 1    2   13   38 f   7.7240   0.5521   7.4522  119.000   0.84   0.55   0.08  -0.33 
1 1 1    2   14    0 o   22.667   0.2206   30.043  -0.3000   0.25   0.00   0.00   0.00 
1 1 1    2   14    1 o   23.570   3.0837   23.779   24.000  27.58  75.84  16.59 -13.53 
1 1 1    2   14    2 o  114.297   3.3347   98.926  173.100 -35.39   9.00  -6.44   2.64 
1 1 1    2   14    3 o   18.603   0.9455   28.737   37.700   5.14  -6.66   0.89   2.93 
1 1 1    2   14    4 o   29.220   2.4293   29.794 -30.5000   7.37 -75.66  31.20   5.41 
1 1 1    2   14    5 o   77.184   4.7500   54.372  131.900 -65.40  99.67  10.68  22.28 
1 1 1    2   14    6 f   42.540   0.6185   34.840 -115.5000  -1.57  -3.24   0.98  -0.93 
1 1 1    2   14    7 f   65.439   2.5060   69.104   73.800  22.28  21.85   0.18  -6.90 
1 1 1    2   14    8 o   61.281   0.2697   50.680   82.100   0.25  -0.11   0.01   0.18 
1 1 1    2   14    9 o   20.329   0.1642   14.738 -95.0000  -0.65   0.08  -1.45  -0.07 
1 1 1    2   14   10 f   7.5541   1.3569   4.1134   2.8000 -17.82  -1.69  -8.21  -1.50 
1 1 1    2   14   11 o   32.830   0.9049   52.188 -143.0000  -0.85 -11.70   5.41  -0.60 
1 1 1    2   14   12 o   54.090   1.6478   49.380  100.700  -2.20  13.92   3.66   1.01 
1 1 1    2   14   13 o  103.700   1.0190   87.382   19.800   4.47   6.65   0.47  -1.82 
1 1 1    2   14   14 o   57.006   0.2615   68.289  104.400   5.90   2.25 -25.39 -11.18 
1 1 1    2   14   15 o   65.351   1.5273   59.585 -29.0000  11.09 -12.63   1.67   6.95 
1 1 1    2   14   16 o   43.134   2.8279   34.274 -126.6000  13.50 -48.05  11.50   7.51 
1 1 1    2   14   17 o   63.299   1.0115   60.659 -155.2000  -9.92   3.43  -3.73   3.55 
1 1 1    2   14   18 o   28.980   0.2079   30.642   0.3000  -0.08   0.06  -0.22   0.09 
1 1 1    2   14   19 o   18.507   0.9039   17.842  116.200  -8.61  -1.26  -2.96  -1.01 
1 1 1    2   14   20 o   24.083   0.3410   11.046 -174.8000  -0.54  -3.32   4.11  -0.48 
1 1 1    2   14   21 o   16.241   1.3123   14.633 -96.4000   3.64  -5.83   0.69   1.28 
1 1 1    2   14   22 o   26.217   0.2154   24.101 -102.9000   1.67  -1.78  -2.03   8.11 
1 1 1    2   14   23 o   25.511   0.7332   14.834 -13.5000   0.69 -12.31   4.90   0.85 
1 1 1    2   14   24 o   40.410   0.6745   48.113   94.400  -2.24   7.77   2.07   1.00 
1 1 1    2   14   25 o   33.924   1.5395   45.515   6.4000  51.24 -32.15  -9.14  20.91 
1 1 1    2   14   26 o   18.751   1.3746   15.778 -67.2000   7.54 -19.65   4.28   3.55 
1 1 1    2   14   27 f   8.9505   0.5523   8.4059  108.500  -0.08   3.80   1.66  -0.06 
1 1 1    2   14   28 f   26.333   1.1258   23.042  152.900 -26.45  -4.42  -6.59  -2.81 
1 1 1    2   14   29 o   14.248   1.7954   13.394   60.100  26.64  28.74   0.81  -7.61 
1 1 1    2   14   30 o   6.3510   0.6488   12.582  119.200   1.52   0.22  -0.24  -0.10 
1 1 1    2   14   31 o   6.2381   0.5004   1.0091  177.600   0.17   0.40   0.05  -0.10 
1 1 1    2   14   32 f   7.4933   0.7450   6.6341 -114.2000   5.27   5.36   0.74  -4.11 
1 1 1    2   14   33 o   19.447   0.2605   23.139 -10.4000   0.20  -0.21   0.12   0.03 
1 1 1    2   14   34 f   4.1724   0.7496   2.5027 -62.6000  -0.15  -0.87   0.45  -0.46 
1 1 1    2   14   35 o   7.9888   0.4544   9.7950   90.300  -0.31  -0.03  -0.08   0.51 
1 1 1    2   14   36 f   18.817   0.4129   16.820 -167.0000  -2.45  -1.35  -0.13  -0.62 
1 1 1    2   14   37 o   22.118   0.2524   18.050  108.600  -0.85  -0.36   0.11  -0.35 
1 1 1    2   14   38 o   10.439   0.5800   7.5964  141.500  -0.10  -1.77   0.35  -0.23 
1 1 1    2   15    0 o   27.335   0.2250   15.953  179.400  -0.08   0.00   0.00   0.00 
1 1 1    2   15    1 o   16.009   0.4883   8.0902  -0.4000   1.59  -4.86   3.01   2.44 
1 1 1    2   15    2 o   43.497   1.5154   24.617  101.700  -4.30  17.89   4.31   2.43 
1 1 1    2   15    3 o   80.464   0.9505   84.233   40.300   8.47  -2.09  -4.37   1.39 
1 1 1    2   15    4 o   40.037   0.1970   37.278 -68.2000  -1.33  -0.42  -7.27   0.12 
1 1 1    2   15    5 o   58.984   0.5375   39.472  150.400  -0.81   1.09  -0.09   1.09 
1 1 1    2   15    6 o   18.143   1.5304   32.685 -100.9000 -29.53   0.14 -13.20   0.36 
1 1 1    2   15    7 o   62.321   2.2314   70.250 -135.3000  -1.12 -33.78  10.48  -0.17 
1 1 1    2   15    8 o   10.693   1.9933   3.5262 -59.5000  16.33 -32.84   8.15  10.64 
1 1 1    2   15    9 o   21.756   0.3217   18.535  126.800   0.41  -0.68   0.12   0.19 
1 1 1    2   15   10 o   55.661   0.4882   56.519 -164.9000  -0.17  -6.33   5.03   0.32 
1 1 1    2   15   11 f  116.206   0.8851   89.549   10.600  -0.19   0.49   0.38  -0.27 
1 1 1    2   15   12 o   79.542   1.8896   71.080   4.6000  22.78 -24.35   0.09  11.64 
1 1 1    2   15   13 f   53.627   0.2464   61.898  171.900  -2.68  -5.61   7.29  -6.32 
1 1 1    2   15   14 o   31.726   1.1466   28.717 -22.5000   6.34   4.18  -0.64  -1.74 
1 1 1    2   15   15 o   50.397   0.5534   39.380   67.400   0.42   2.53   0.70  -0.11 
1 1 1    2   15   16 o   34.119   0.9985   36.705 -169.0000 -12.88  -4.49  -3.25  -2.41 
1 1 1    2   15   17 o   77.172   2.0190   70.942  -0.1000  36.99  10.48  -8.50  -4.68 
1 1 1    2   15   18 o   52.180   2.0107   37.001   62.600   9.04  17.59   2.50  -3.94 
1 1 1    2   15   19 o   55.398   0.4272   47.526  119.900  -0.48  -0.30  -0.01  -0.04 
1 1 1    2   15   20 o   20.625   1.3075   17.050 -130.0000  -7.91  -3.18  -1.71  -1.49 
1 1 1    2   15   21 o   27.866   0.2935   28.018 -48.6000  -0.94  -1.35   0.23  -1.63 
1 1 1    2   15   22 o   25.470   1.0800   29.468 -142.0000 -23.00   4.35  -7.27   2.52 
1 1 1    2   15   23 o   25.496   0.3746   17.598 -41.7000   5.05   0.08  -5.07   0.68 
1 1 1    2   15   24 o   26.288   0.2142   38.230  120.100  -6.26  -6.18   3.19 -18.01 
1 1 1    2   15   25 o   24.770   0.2068   27.971 -115.9000   0.27  -0.42  -1.60   1.00 
1 1 1    2   15   26 o   16.401   0.2425   23.542 -138.5000   0.02  -0.74   0.75  -0.32 
1 1 1    2   15   27 o   19.929   1.2880   18.630   15.300  20.98  16.84  -1.03  -6.09 
1 1 1    2   15   28 o   16.922   0.2433   21.528 -74.9000   2.31   0.21  -0.91  -0.40 
1 1 1    2   15   29 o   12.792   1.0452   10.118  125.000  -4.39   6.17   0.24   0.86 
1 1 1    2   15   30 o   13.591   0.4961   11.689 -142.4000   3.84  -3.84   0.42   2.59 
1 1 1    2   15   31 o   15.840   0.3716   7.4659  126.700  -0.47   0.21  -0.01   0.03 
1 1 1    2   15   32 o   22.735   1.2910   23.244  -2.5000  24.28  -7.20  -5.31   4.41 
1 1 1    2   15   33 o   16.986   0.2655   15.612 -69.1000   6.00   2.17  -3.71  -7.28 
1 1 1    2   15   34 o   8.4999   0.4261   7.4948 -157.7000  -2.68   1.24  -0.76   2.03 
1 1 1    2   15   35 o   5.7727   0.6256   3.4811  125.100  -0.24  -0.43   0.03  -0.03 
1 1 1    2   15   36 o   14.056   0.3233   14.854 -50.0000  -0.42   0.57  -0.81   0.18 
1 1 1    2   15   37 o   9.5477   0.4681   6.5810 -116.3000  -0.26   0.34   0.11   0.03 
1 1 1    2   16    0 o   57.180   0.3710   23.758  -0.9000  -0.13   0.00   0.00   0.00 
1 1 1    2   16    1 o   14.224   0.8304   28.055 -40.7000   5.99   1.60  -1.61  -0.98 
1 1 1    2   16    2 o   51.912   0.3849   43.498  177.900  -0.51   1.94   3.28   0.40 
1 1 1    2   16    3 o   8.4601   0.8467   18.001  164.600   2.28   4.30   0.70  -1.00 
1 1 1    2   16    4 o   67.489   1.9815   70.513 -39.0000  38.66  23.87  -8.21 -18.25 
1 1 1    2   16    5 o   15.236   2.6612   21.137   60.300  11.93  69.18  21.88  -7.93 
1 1 1    2   16    6 f   54.816   1.6456   57.102 -62.7000   1.60 -24.02   7.30   1.26 
1 1 1    2   16    7 o   36.025   1.4078   36.714   52.100  -4.66  23.26   8.67   3.90 
1 1 1    2   16    8 o   44.312   1.9653   48.978   38.500  18.22   8.09  -2.69  -2.83 
1 1 1    2   16    9 o   7.8169   0.9228   11.867 -149.7000   7.57  -3.32  -2.05   2.29 
1 1 1    2   16   10 o   68.676   1.1067   71.863 -53.4000  20.58  11.31  -6.08 -11.39 
1 1 1    2   16   11 o   97.000   0.3986   83.670 -118.1000  -4.89   1.55  -4.64   8.90 
1 1 1    2   16   12 o   85.984   0.8227   76.927   24.100   1.12   3.58   0.93  -0.34 
1 1 1    2   16   13 o   44.107   0.4482   29.935  103.900   1.14   1.80   1.74  -1.78 
1 1 1    2   16   14 o   57.871   0.6663   65.028   82.400  -7.35   6.75  -0.43   2.76 
1 1 1    2   16   15 o   16.924   1.6895   17.100  174.000 -41.63  -0.00 -12.41  -0.12 
1 1 1    2   16   16 o   22.584   3.7442   23.797 -81.0000  80.27 -24.80 -16.05  10.71 
1 1 1    2   16   17 o   33.237   0.5778   18.121 -154.6000  -5.33   2.52  -1.81   2.74 
1 1 1    2   16   18 o   76.984   0.3437   73.129   22.700   0.50   3.98   5.29   2.50 
1 1 1    2   16   19 f   23.713   1.8956   35.863   7.4000  20.65   1.68  -5.43  -0.69 
1 1 1    2   16   20 o   27.786   0.1930   23.539   97.700  -3.37   0.69  -4.59   1.06 
1 1 1    2   16   21 f   31.541   0.5406   13.808   39.200  -0.75  19.52  13.82   2.21 
1 1 1    2   16   22 o   21.221   0.2082   21.477  106.400  -3.11  -2.28  -0.64  -5.46 
1 1 1    2   16   23 o   16.694   1.5011   22.875 -153.8000 -35.69  20.25  -5.46   9.57 
1 1 1    2   16   24 f   22.422   0.2012   23.836   65.000  -0.04  -0.17   0.14   0.12 
1 1 1    2   16   25 o   6.8141   0.4432   14.957   58.700  -0.23   2.70   1.16   0.31 
1 1 1    2   16   26 o   13.459   1.3002   11.994 -51.8000   0.09 -18.46   4.65  -0.18 
1 1 1    2   16   27 o   15.611   0.3186   14.604 -61.3000  -0.04   0.33   0.04  -0.00 
1 1 1    2   16   28 o   26.791   0.3534   15.900 -39.0000  -3.43  -6.01   4.48  -3.72 
1 1 1    2   16   29 o   4.0204   0.6844   9.2258  172.700   0.03   0.04  -0.06   0.04 
1 1 1    2   16   30 o   11.321   0.8722   8.5152  154.400  -0.30 -10.69   4.24   0.39 
1 1 1    2   16   31 o   4.5970   0.6349   0.8985   84.800  -0.96  -1.22   0.35  -0.67 
1 1 1    2   16   32 o   4.3592   0.7292   7.2710  124.900   0.08   0.22   0.24   0.25 
1 1 1    2   16   33 o   1.4546   1.1568   3.4290   34.600   0.00   0.20   0.05   0.02 
1 1 1    2   16   34 o   9.8875   0.4149   6.4981 -121.1000   0.61   0.01  -0.17   0.10 
1 1 1    2   16   35 o   4.3911   0.8313   9.4743  -0.7000   1.25   0.12  -0.31  -0.17 
1 1 1    2   16   36 o   9.7873   1.2513   9.1010 -146.1000  -8.38  -9.85   0.89  -2.99 
1 1 1    2   17    0 o   90.240   0.5272   73.684 -179.9000   0.35   0.00   0.00   0.00 
1 1 1    2   17    1 o   45.395   0.2141   35.208 -55.7000  -0.99  -1.54   1.06  -1.46 
1 1 1    2   17    2 o   51.433   1.9682   36.630  113.600 -31.78  15.83  -5.62   7.05 
1 1 1    2   17    3 f   96.368   0.8617  103.609   51.400   1.77  -0.01  -2.89   3.27 
1 1 1    2   17    4 o   33.356   2.1079   34.498 -149.1000 -28.60  -2.95  -5.13  -1.15 
1 1 1    2   17    5 o   71.283   0.3094   67.363  167.300  -2.17  -0.68  -1.21  -1.67 
1 1 1    2   17    6 f   42.997   0.2165   42.924 -164.6000  -0.35  -0.46   4.10  -0.89 
1 1 1    2   17    7 f   50.238   0.2390   38.398 -81.2000   2.46  -0.99  -2.54   1.52 
1 1 1    2   17    8 o   86.349   2.4728   68.130  143.900 -24.34  23.41  -0.77   8.05 
1 1 1    2   17    9 f   13.417   3.6512   16.089   37.500   0.29 -56.40  12.53   0.04 
1 1 1    2   17   10 o   84.831   1.3689   83.039 -140.3000  -6.85   0.43  -2.23  -0.19 
1 1 1    2   17   11 o   25.420   1.6464   32.751 -18.4000  13.22  -0.83  -2.39   0.37 
1 1 1    2   17   12 o   0.0000   2.4796  ?   ?    0.00   0.00   0.00   0.00 
1 1 1    2   17   13 o   30.570   1.1670   22.665  137.000 -12.37  11.68  -0.12   3.43 
1 1 1    2   17   14 o   11.377   0.7463   21.978   66.500   0.47 -11.86   8.94   0.43 
1 1 1    2   17   15 o   33.654   2.1190   21.446 -93.0000 -38.65 -14.16  -9.55  -7.63 
1 1 1    2   17   16 o   53.372   0.3329   42.871  174.500  -0.68   0.57   1.49  -4.91 
1 1 1    2   17   17 o   12.224   0.4457   6.5539   10.300   3.35   0.13  -2.65   0.04 
1 1 1    2   17   18 o   41.793   0.9831   39.615  148.000 -16.17 -24.33   9.09 -18.02 
1 1 1    2   17   19 o   42.531   1.6463   33.126 -25.8000  32.33 -18.06  -4.82   7.22 
1 1 1    2   17   20 o   30.873   2.2920   38.671 -87.8000 -66.90 -23.77 -15.72 -12.10 
1 1 1    2   17   21 o   25.286   0.3827   27.210 -178.6000  -7.34  -6.90  -1.37  -8.06 
1 1 1    2   17   22 o   38.606   0.8063   37.852 -129.6000 -19.10   1.75 -11.43   3.48 
1 1 1    2   17   23 f   16.525   0.4732   24.770  172.800  -2.18   3.72   0.68   1.58 
1 1 1    2   17   24 o   10.330   0.6272   22.022   84.400   3.95   2.66  -0.69  -1.39 
1 1 1    2   17   25 o   13.243   0.5239   17.424  158.800  -3.35  -8.91   4.89  -3.44 
1 1 1    2   17   26 o   22.221   0.8390   22.955  177.900 -12.11 -10.83  -1.25  -5.67 
1 1 1    2   17   27 o   2.2206   1.1020   9.2386   50.700  -0.94   0.09  -0.22   0.07 
1 1 1    2   17   28 f   4.5357   1.4734   5.6464 -34.6000   5.63  -3.11  -1.12   1.50 
1 1 1    2   17   29 o   6.5104   0.4675   5.9994  101.500  -0.16   0.24   0.23   0.04 
1 1 1    2   17   30 o   9.8688   0.4829   8.1503  116.500   2.84   2.79  -0.40  -1.71 
1 1 1    2   17   31 o   19.252   0.2433   20.108  119.300  -0.28   1.15  -0.70  -4.18 
1 1 1    2   17   32 o   13.624   0.2897   9.9494   39.500   1.77  -0.33  -0.77   1.16 
1 1 1    2   17   33 f   3.1053   1.4502   10.209 -108.4000  -1.10  -1.38   0.03  -0.38 
1 1 1    2   17   34 o   12.074   0.3311   9.6921   48.000   3.40  -1.15  -4.61   0.22 
1 1 1    2   17   35 o   8.4194   0.4879   7.3737   90.100   0.13   0.59  -1.39  -0.10 
1 1 1    2   17   36 o   7.4090   0.5601   6.7634   56.900  -0.02   0.75   0.14   0.15 
1 1 1    2   18    0 o   5.9076   0.5688   13.298  -0.7000  -0.05   0.00   0.00   0.00 
1 1 1    2   18    1 o   13.600   2.4186   16.487   9.2000  33.04  28.66  -1.45  -9.76 
1 1 1    2   18    2 o   24.656   1.1510   38.714  -8.2000  12.84   2.82  -3.80  -1.64 
1 1 1    2   18    3 o   15.990   2.2221   10.480  147.100 -19.94  40.63   7.29   9.58 
1 1 1    2   18    4 o   32.757   0.2842   39.530 -37.4000   5.02   3.73  -1.32  -6.54 
1 1 1    2   18    5 o   34.602   0.2455   27.660  -8.9000   0.58   0.57   0.21  -0.61 
1 1 1    2   18    6 o   37.926   1.5286   34.106   29.200  12.47  14.51   0.66  -6.79 
1 1 1    2   18    7 o   19.715   2.3064   32.504 -33.9000  -5.88 -36.85   9.27  -3.21 
1 1 1    2   18    8 f   20.421   0.4862   25.110   88.500   0.88   1.72   0.36  -0.60 
1 1 1    2   18    9 o   66.262   0.8458   56.488 -175.8000  -3.57  -2.12  -0.57  -3.00 
1 1 1    2   18   10 o   29.163   1.4549   25.060 -136.7000 -35.73 -15.93  -7.28  -7.83 
1 1 1    2   18   11 o   14.556   0.3567   13.573 -156.5000  -3.30   2.43  -0.45   1.65 
1 1 1    2   18   12 o   17.809   0.2267   23.050   49.400  -1.57   0.96  -1.48   2.03 
1 1 1    2   18   13 o   47.630   3.0852   54.167   49.900   1.84  63.59  17.64  -0.44 
1 1 1    2   18   14 o   38.839   0.6812   15.049 -110.2000  -1.88  -2.62   0.67  -1.25 
1 1 1    2   18   15 o   26.978   0.4468   21.321  127.700   2.20   2.89   0.17  -1.11 
1 1 1    2   18   16 o   30.983   0.9482   42.556 -109.3000 -10.74  -5.52  -2.65  -3.18 
1 1 1    2   18   17 o   63.040   0.7862   62.257 -78.4000  11.98  -2.57 -15.04   2.66 
1 1 1    2   18   18 o   45.109   1.5778   45.218   77.000 -19.99  29.11   2.91   9.17 
1 1 1    2   18   19 o   27.757   0.8612   38.521 -22.4000   8.95  -1.46  -2.19   0.57 
1 1 1    2   18   20 o   19.437   1.2727   11.414 -94.9000  -6.20 -20.90   2.70  -1.85 
1 1 1    2   18   21 o   8.0587   0.4154   4.9860  174.700   0.01   0.54   0.08   0.01 
1 1 1    2   18   22 o   18.449   0.6538   12.993 -129.1000  -7.33   1.91  -2.08   1.40 
1 1 1    2   18   23 o   22.497   0.8647   36.027 -145.9000   1.98 -36.46  22.76   4.17 
1 1 1    2   18   24 o   12.058   0.2692   3.8384  -8.0000  -0.02  -0.13   0.02   0.00 
1 1 1    2   18   25 o   14.272   1.1027   16.143   83.500   1.89   3.62   0.12  -0.19 
1 1 1    2   18   26 o   8.7151   0.3942   8.9259  153.800  -0.06   3.88   3.87   1.05 
1 1 1    2   18   27 o   9.9623   0.4659   16.456 -32.4000   0.97   1.35   0.11  -0.22 
1 1 1    2   18   28 o   8.2647   1.1515   7.9510 -16.8000   2.04  -6.15   0.81   0.70 
1 1 1    2   18   29 f   8.5499   0.3752   4.2430  145.500  -0.49  -0.11  -0.15   0.01 
1 1 1    2   18   30 o   3.3992   1.5771   5.6219  136.900   1.14   0.68  -0.07  -0.11 
1 1 1    2   18   31 f   4.6516   0.7008   6.4961 -107.8000  -0.17  -0.35   0.54   0.16 
1 1 1    2   18   32 o   8.3589   0.4454   11.424   21.700  -0.03   0.62   0.25   0.29 
1 1 1    2   18   33 o   12.752   0.5034   12.900   49.600   1.37  -0.19  -0.17   0.13 
1 1 1    2   18   34 o   5.1632   0.6927   6.2254 -100.9000   0.50  -0.13  -0.14  -0.01 
1 1 1    2   18   35 o   7.6321   0.5631   4.6769   15.900   0.37   0.09   0.09   0.29 
1 1 1    2   19    0 o   8.4143   0.5666   1.2119 -170.4000  -0.02   0.00   0.00   0.00 
1 1 1    2   19    1 o   55.058   1.2312   39.648   66.900  11.60  -2.37  -2.71   0.89 
1 1 1    2   19    2 o   13.390   0.2552   13.697   78.700   0.27   1.89   2.62  -1.16 
1 1 1    2   19    3 o   55.434   2.2654   45.023   4.4000  23.02 -27.73   2.84  11.40 
1 1 1    2   19    4 o   11.992   0.9045   14.286 -13.0000   6.88   1.80  -2.06  -1.23 
1 1 1    2   19    5 o   59.441   1.6775   47.718 -36.4000  10.89  -6.06  -1.35   2.72 
1 1 1    2   19    6 o   7.1778   0.4796   4.1541 -156.7000  -0.43   0.25  -0.28   0.76 
1 1 1    2   19    7 o   43.372   2.0966   61.770 -40.6000  71.91 -10.69 -23.27   6.51 
1 1 1    2   19    8 o   44.660   0.2398   33.382   7.6000   0.14  -1.28   3.76  -1.16 
1 1 1    2   19    9 o   21.120   0.2262   10.574 -103.1000  -0.37   0.24  -0.42   0.48 
1 1 1    2   19   10 o   74.344   0.6118   58.743   42.200   1.48   2.48   0.13  -0.44 
1 1 1    2   19   11 o   25.897   0.8922   31.631   39.300  10.26   1.96  -3.89  -1.30 
1 1 1    2   19   12 f   27.051   0.3793   3.4971  103.200  -0.07   3.58   3.62  -0.74 
1 1 1    2   19   13 o   32.383   0.2864   31.647  135.000   0.51   0.03  -0.27  -1.50 
1 1 1    2   19   14 o   24.609   0.9173   37.105 -26.9000   6.05  12.18   7.94  -8.71 
1 1 1    2   19   15 o   55.097   2.2371   48.326  -4.2000  48.86  26.51  -8.24 -14.15 
1 1 1    2   19   16 o   9.4422   0.6872   12.861   86.700   3.13   4.71   0.63  -1.63 
1 1 1    2   19   17 o   29.964   2.4409   23.174  -1.1000  72.81 -34.34 -13.45  17.22 
1 1 1    2   19   18 o   50.943   0.4587   44.597   72.900  -1.07   1.44  -0.38   1.19 
1 1 1    2   19   19 f   21.618   1.4544   21.415 -44.8000   7.04 -40.13   9.48   3.73 
1 1 1    2   19   20 o   20.066   2.5029   8.3072 -68.4000  18.88 -77.07  15.59   7.69 
1 1 1    2   19   21 o   7.5335   1.6041   5.6710 -47.8000  12.25  -4.86  -2.00   1.78 
1 1 1    2   19   22 f   8.6235   0.3498   15.558  111.600   1.27  -3.48   2.00   2.19 
1 1 1    2   19   23 o   17.746   0.2246   15.397 -144.3000  -0.91  -0.75   0.03  -0.31 
1 1 1    2   19   24 f   4.3278   1.1747   4.1402   65.600  -5.35  -1.35  -1.71  -1.17 
1 1 1    2   19   25 o   20.095   0.2237   18.884 -45.6000  -0.28   0.78  -1.02  -3.69 
1 1 1    2   19   26 f   3.1641   0.8137   9.7001 -172.8000   0.13   0.93   0.61   0.01 
1 1 1    2   19   27 o   5.0064   0.6480   3.7639   9.9000   0.21   0.73   0.73  -0.05 
1 1 1    2   19   28 o   7.0658   1.4618   3.0470   4.5000   7.92  -1.94  -1.57   0.63 
1 1 1    2   19   29 o   0.0000   2.2676  ?   ?   -0.01  -0.04  -0.04  -0.03 
1 1 1    2   19   30 o   7.0447   0.6563   9.6442   51.100   3.94   0.78  -1.03  -0.24 
1 1 1    2   19   31 o   14.296   0.2758   16.331  151.800  -1.22   0.01  -0.33  -2.43 
1 1 1    2   19   32 o   11.164   0.3638   6.5649 -14.7000   0.20   0.58   0.22   0.01 
1 1 1    2   19   33 f   4.1078   0.8215   0.7770 -91.1000  -0.29   0.41   0.04   0.05 
1 1 1    2   19   34 o   11.468   0.5983   8.0574 -74.8000   2.91  -2.50  -0.33   0.62 
1 1 1    2   20    0 f   99.853   0.5923   80.181 -180.0000  -0.67   0.00   0.00   0.00 
1 1 1    2   20    1 f   39.007   0.8698   54.058 -150.1000  15.58 -32.18  15.63  21.63 
1 1 1    2   20    2 o   53.700   0.2651   56.303   31.300  -3.91   7.78  11.10  29.64 
1 1 1    2   20    3 o   34.103   0.4609   30.674  145.300 -10.98  -9.18  -1.53 -14.45 
1 1 1    2   20    4 o   53.644   1.6390   53.085 -137.8000 -24.07 -23.95  -0.41  -9.25 
1 1 1    2   20    5 o   33.879   0.5817   17.093 -27.1000   2.18  -1.87  -0.27   0.94 
1 1 1    2   20    6 o   32.888   1.9138   26.990 -120.0000 -24.68 -19.33  -1.61  -7.50 
1 1 1    2   20    7 o   60.468   0.2857   57.963 -68.3000  -0.48  -0.64  -0.55  -0.82 
1 1 1    2   20    8 o   34.809   0.2989   37.678 -137.6000   0.14   0.20  -0.00  -0.05 
1 1 1    2   20    9 o   62.814   1.1560   45.007 -68.6000  -5.00 -13.20   8.31  -5.16 
1 1 1    2   20   10 o   12.083   0.8895   9.7252  121.300   0.19   2.67   0.60  -0.04 
1 1 1    2   20   11 o   32.359   0.4542   46.323  164.300  -0.38  -0.66   0.40  -0.28 
1 1 1    2   20   12 o   23.722   1.4582   18.881   42.700  28.59   8.62  -4.83  -3.05 
1 1 1    2   20   13 o   20.586   0.4796   25.652  147.800   3.11   4.03   2.44  -6.12 
1 1 1    2   20   14 o   19.609   1.9825   19.570   67.800  14.70  50.11  10.15  -6.73 
1 1 1    2   20   15 o   26.623   2.2550   31.721 -110.1000 -13.17 -65.22  14.56  -5.72 
1 1 1    2   20   16 o   30.558   0.5960   24.563 -112.7000  -1.65  -6.71   2.22  -1.50 
1 1 1    2   20   17 o   28.555   1.3386   22.151 -159.3000 -25.38 -32.51   3.42 -11.61 
1 1 1    2   20   18 o   49.364   0.2728   41.274  128.200   0.50   4.65   4.81  -7.82 
1 1 1    2   20   19 o   27.112   1.4110   35.034 -109.2000  -9.48 -24.45   4.32  -4.43 
1 1 1    2   20   20 o   22.258   0.9500   24.204 -85.3000   2.90 -10.18   1.66   1.22 
1 1 1    2   20   21 o   9.3016   0.9536   10.554   1.1000  -2.11  13.74   5.63   2.21 
1 1 1    2   20   22 o   9.8353   1.0918   4.4089   70.200   9.75  -0.33  -2.31   0.00 
1 1 1    2   20   23 o   11.803   0.3225   11.855 -130.7000  -0.80  -2.60   1.55  -0.58 
1 1 1    2   20   24 o   4.7443   0.8564   6.9505 -162.1000  -2.59  -0.10  -0.62  -0.12 
1 1 1    2   20   25 o   10.427   0.3604   6.4621   46.600   0.86   1.36   1.27  -1.00 
1 1 1    2   20   26 o   5.9307   1.0856   4.8594  170.300   0.17  -2.01   0.22   0.01 
1 1 1    2   20   27 o   7.6530   0.5949   13.314 -83.3000   0.89  -1.90   0.44   0.30 
1 1 1    2   20   28 o   5.8012   0.5902   7.9452 -97.5000  -0.03  -0.28  -0.71   0.39 
1 1 1    2   20   29 o   4.5762   0.7141   5.9153   61.700   0.09   0.64   0.11   0.01 
1 1 1    2   20   30 f   14.772   0.2836   8.0298   11.100   0.80  -2.93   1.86   0.05 
1 1 1    2   20   31 o   22.726   0.6037   22.790 -135.2000  -1.78  -6.65   2.00  -0.46 
1 1 1    2   20   32 o   15.988   0.2956   15.382 -18.6000   1.44  -0.26  -0.37  -0.09 
1 1 1    2   20   33 o   10.322   0.4451   8.5561  -7.1000   0.17  -1.04   0.35  -0.33 
1 1 1    2   21    0 o   42.830   0.3967   41.762   0.7000  -0.18   0.00   0.00   0.00 
1 1 1    2   21    1 o   36.069   0.6179   32.578 -114.4000   8.58  -6.96  -3.24   9.40 
1 1 1    2   21    2 o   20.978   0.4219   5.2822  -4.8000  -0.09   0.08  -0.04   0.05 
1 1 1    2   21    3 o   51.740   0.8706   52.483 -174.0000  -3.22   7.60   4.01   2.91 
1 1 1    2   21    4 o   81.842   0.4235   75.020   24.700   1.65   1.08   0.08  -0.83 
1 1 1    2   21    5 o   64.537   0.6421   48.613   74.900   3.42   3.18  -0.73  -1.73 
1 1 1    2   21    6 o   65.189   0.3213   50.747  161.100  -0.17   2.92   3.08  -2.24 
1 1 1    2   21    7 o   16.346   1.5498   21.284 -55.9000  19.63  -0.13  -7.78  -0.22 
1 1 1    2   21    8 o   13.457   0.3923   7.8241   82.300  -1.53  -0.66  -0.44  -0.37 
1 1 1    2   21    9 f   27.300   0.2141   28.303 -39.9000   0.37   0.59  -0.86  -2.45 
1 1 1    2   21   10 o   40.222   0.7135   29.436  125.100 -14.41  -3.95  -4.73  -2.33 
1 1 1    2   21   11 o   14.238   0.2730   24.912   37.600   4.94  -2.01  -3.20   3.65 
1 1 1    2   21   12 o   11.147   0.8971   11.173   63.500   3.49   5.28   0.38  -1.00 
1 1 1    2   21   13 o   18.273   0.4550   33.097  174.700  -3.77  -4.22   1.04  -4.53 
1 1 1    2   21   14 o   59.583   0.7512   45.532 -63.6000  -5.83 -12.16   1.86  -3.25 
1 1 1    2   21   15 f   20.268   1.1576   17.999   43.400 -25.05  43.79  10.60  16.78 
1 1 1    2   21   16 o   14.280   0.2556   15.127   62.100   0.03   2.42   1.24  -0.19 
1 1 1    2   21   17 o   10.938   0.6204   9.1632 -34.5000 -11.54  -0.20  -9.22  -1.07 
1 1 1    2   21   18 o   15.405   0.4396   15.627   43.000  -4.30   0.49  -1.24   0.44 
1 1 1    2   21   19 o   13.465   0.5423   14.641   75.000  11.86  -0.04  -8.76   0.95 
1 1 1    2   21   20 o   16.786   1.5787   24.677  142.900 -26.56  24.77  -0.95   8.14 
1 1 1    2   21   21 o   18.838   0.2335   21.642 -47.9000   0.17  -2.79   7.46  -6.51 
1 1 1    2   21   22 f   12.528   1.1125   12.471 -65.4000  17.81  -5.92  -5.41   3.44 
1 1 1    2   21   23 f   11.310   0.5095   13.984  121.600  -0.89   2.13   0.34   0.53 
1 1 1    2   21   24 o   21.983   0.2334   21.622 -72.7000   0.64   0.45  -1.31   0.84 
1 1 1    2   21   25 o   6.0036   0.5802   5.6396 -88.0000  -0.31   0.12  -0.25  -0.27 
1 1 1    2   21   26 o   9.3237   1.2953   7.4394 -68.6000   3.50  -9.58   1.33   0.94 
1 1 1    2   21   27 o   4.3761   0.7360   5.6381   66.100  -0.00   0.01  -0.00  -0.00 
1 1 1    2   21   28 o   7.0543   0.5017   2.7138   88.700  -0.43   0.34   0.06   0.17 
1 1 1    2   21   29 o   12.204   0.3464   8.0201 -52.7000   0.77  -0.96  -3.38  -0.52 
1 1 1    2   21   30 o   12.451   0.3499   10.337  117.500  -2.40   0.90  -2.30   0.25 
1 1 1    2   21   31 o   9.4676   0.4301   8.6448 -159.8000  -0.22  -0.24  -0.03  -0.04 
1 1 1    2   21   32 o   9.3532   0.4693   8.4543 -22.0000   0.03  -0.16  -0.04  -0.03 
1 1 1    2   22    0 o   20.599   0.3789   13.685  178.500  -0.23   0.00   0.00   0.00 
1 1 1    2   22    1 o   37.698   1.9119   39.027 -154.7000 -30.34   2.99  -7.27   1.86 
1 1 1    2   22    2 o   37.347   0.2460   44.097   81.600  -1.03   1.77  -0.18   3.57 
1 1 1    2   22    3 o   35.335   0.9419   48.307  161.100  -6.65  -0.64  -1.56  -0.49 
1 1 1    2   22    4 o   29.438   1.1471   34.752 -87.6000  26.90  -6.66  -8.57   4.08 
1 1 1    2   22    5 o   16.048   0.6303   9.7827   1.4000   3.80   7.48   2.43  -2.98 
1 1 1    2   22    6 o   11.019   0.7550   14.964  152.100   2.05   2.84   0.18  -0.65 
1 1 1    2   22    7 o   21.296   0.3915   18.163 -47.5000   3.28   1.01  -1.53  -1.31 
1 1 1    2   22    8 o   4.8489   1.4875   2.1834 -48.4000  -0.82   3.65   0.65   0.32 
1 1 1    2   22    9 o   31.172   2.1161   26.214 -110.9000 -12.87 -59.26  13.18  -5.50 
1 1 1    2   22   10 o   32.723   0.2314   35.974 -18.5000  -0.04  -2.80   1.79  -0.56 
1 1 1    2   22   11 o   22.994   0.2322   22.313  108.900   0.76   0.16  -0.97   0.09 
1 1 1    2   22   12 o   23.013   0.6707   13.449  132.400  -6.11  13.26   3.06   3.17 
1 1 1    2   22   13 o   29.884   0.4586   26.013  145.200   6.60   8.15   2.21  -6.14 
1 1 1    2   22   14 o   10.234   0.3811   16.913   89.400  -0.04  -0.06  -0.04  -0.04 
1 1 1    2   22   15 o   21.831   0.2184   22.553 -26.3000   0.04   0.10   0.06   0.05 
1 1 1    2   22   16 f   20.660   1.0934   29.831 -165.3000  -5.89 -33.99  14.64  -6.37 
1 1 1    2   22   17 o   26.691   0.5173   26.062   92.800  13.26   6.29 -12.41 -10.03 
1 1 1    2   22   18 f   17.880   0.3556   21.325  145.400   1.43   6.76   5.25  -4.11 
1 1 1    2   22   19 o   30.277   0.2210   26.402 -117.3000   0.37  -1.43   1.45  -0.71 
1 1 1    2   22   20 o   26.572   0.2082   13.875 -99.7000   0.43   0.23  -0.07   0.82 
1 1 1    2   22   21 o   4.0639   0.7097   4.5565   43.400  -0.15   0.16  -0.18   0.14 
1 1 1    2   22   22 o   9.6381   0.4013   6.9273   49.700   0.77   0.60   0.55  -1.10 
1 1 1    2   22   23 o   34.551   0.5180   30.198 -147.5000  -3.63  -6.05   5.14  -2.96 
1 1 1    2   22   24 o   8.3299   0.5629   1.0485   25.700   2.95   2.08  -0.71  -1.05 
1 1 1    2   22   25 o   11.463   0.3952   15.017   68.400   2.16   1.59  -0.01  -0.76 
1 1 1    2   22   26 o   18.683   0.8104   18.040  129.800  -7.84  13.76   3.65   4.20 
1 1 1    2   22   27 o   11.444   0.3604   12.111 -104.7000   1.02  -0.46   0.23   0.89 
1 1 1    2   22   28 o   32.045   0.3127   31.024 -144.3000   0.08  -1.25   0.09   0.09 
1 1 1    2   22   29 o   6.6477   0.6507   4.5943 -19.0000  -0.31  -1.64   0.29  -0.28 
1 1 1    2   22   30 o   13.804   0.4539   9.8612   97.200  -1.79   1.49  -0.72   0.69 
1 1 1    2   22   31 o   13.856   0.6001   14.687 -129.3000  -1.79  -3.05   1.17  -0.49 
1 1 1    2   23    0 o   0.0000   3.2249   11.394  -0.3000  -0.01   0.00   0.00   0.00 
1 1 1    2   23    1 o   14.874   1.8562   18.126   32.100  31.35 -14.99  -4.41   5.65 
1 1 1    2   23    2 o   0.0000   2.4083  ?   ?    0.34   0.42   0.07  -0.21 
1 1 1    2   23    3 o   17.858   0.5330   29.026 -43.8000   1.91  -2.12   0.12   0.60 
1 1 1    2   23    4 o   8.7180   1.0397   10.155   18.600  -2.39   6.37   0.97   0.91 
1 1 1    2   23    5 f   31.725   1.0860   34.001   36.200  20.28  -6.07  -4.97   3.75 
1 1 1    2   23    6 f   18.110   0.8081   24.085 -163.1000 -10.79  -8.33  -1.33  -6.88 
1 1 1    2   23    7 o   30.119   0.2223   27.716 -101.1000  -2.59  -0.19  -1.65   0.19 
1 1 1    2   23    8 o   5.7368   0.5423   14.063  -8.3000   0.28  -0.51   0.37   0.33 
1 1 1    2   23    9 o   16.781   0.4524   9.4711 -169.2000  -0.36 -14.44  12.80   0.53 
1 1 1    2   23   10 o   34.208   0.4650   27.089 -100.4000 -12.91  -5.10  -5.72  -4.08 
1 1 1    2   23   11 o   9.4692   0.3704   8.9637 -91.2000  -0.11  -0.15  -0.10  -0.24 
1 1 1    2   23   12 o   5.3657   2.3462   9.6434   52.700  -8.47  -0.41  -1.21  -0.16 
1 1 1    2   23   13 f   14.418   0.2890   22.216  116.800  -1.42   0.06  -0.52  -0.07 
1 1 1    2   23   14 o   14.658   0.3549   19.340 -130.7000   0.46  -1.86   0.48   0.39 
1 1 1    2   23   15 o   13.004   0.3053   10.513  124.200   4.56   1.12  -5.80  -5.47 
1 1 1    2   23   16 o   12.527   0.9659   5.7661 -74.6000  12.24  -2.50  -2.52   0.88 
1 1 1    2   23   17 f   15.853   1.1060   8.3469 -15.1000  16.28   4.68  -2.57  -1.87 
1 1 1    2   23   18 o   17.060   0.5559   16.888 -156.4000  -5.37   4.00  -0.29   2.70 
1 1 1    2   23   19 o   26.915   0.2185   19.785 -176.1000  -0.60   3.01   1.68  -0.23 
1 1 1    2   23   20 o   19.310   0.8699   23.130  101.500  18.52   8.46  -5.30  -4.76 
1 1 1    2   23   21 o   21.449   0.2431   23.388 -83.0000  -5.80  -0.38  -5.31   1.66 
1 1 1    2   23   22 o   1.0314   1.1114   5.0280 -102.6000   0.34  -0.26  -0.58   0.09 
1 1 1    2   23   23 o   11.612   0.3626   12.966 -111.1000   0.60  -1.39   0.08   0.71 
1 1 1    2   23   24 o   12.404   0.3564   5.2713 -25.9000   0.91  -0.28  -0.14   0.03 
1 1 1    2   23   25 f   1.9811   1.1250   7.3460 -160.4000  -0.13   0.17  -0.06   0.07 
1 1 1    2   23   26 o   12.779   0.4525   8.0891  152.100  -1.83  -0.22  -0.23  -0.15 
1 1 1    2   23   27 f   11.097   0.9328   7.2216   52.900   6.72  -2.66  -0.83   1.10 
1 1 1    2   23   28 o   10.565   0.5049   8.5899  -6.5000   2.06  -3.04   0.03   1.12 
1 1 1    2   23   29 o   10.285   0.9259   5.2683 -25.8000   4.64   5.57   0.69  -1.52 
1 1 1    2   23   30 o   9.3737   0.5099   9.8018 -149.1000   0.21  -0.75   0.10  -0.02 
1 1 1    2   24    0 o   3.3615   1.1446   0.7249  169.000   0.01   0.00   0.00   0.00 
1 1 1    2   24    1 o   34.442   0.4150   29.414  105.200  -9.90   1.31  -5.17   0.50 
1 1 1    2   24    2 o   14.452   0.2795   29.881 -17.6000   1.49   3.74   1.65  -1.23 
1 1 1    2   24    3 o   18.246   0.5165   15.530   82.600  -4.08  -3.47  -0.10  -1.42 
1 1 1    2   24    4 o   9.5092   0.8698   13.034  109.500  -3.61   9.41   2.42   1.97 
1 1 1    2   24    5 o   10.345   0.3362   11.226  152.700   1.13   4.86   4.86  -1.67 
1 1 1    2   24    6 f   22.585   0.2662   15.030 -141.5000  -2.04   0.15  -0.47   0.15 
1 1 1    2   24    7 o   8.4021   1.1808   10.050 -144.5000  -6.68  -9.85   1.00  -2.84 
1 1 1    2   24    8 o   17.641   0.2250   21.754  -0.4000   0.36   0.03   1.37  -1.33 
1 1 1    2   24    9 f   6.1953   1.7356   2.6745   66.800  -1.05   4.49   0.53   0.29 
1 1 1    2   24   10 o   28.460   0.6241   39.987 -38.4000   4.45  -2.36  -1.41   1.34 
1 1 1    2   24   11 o   11.907   1.0183   6.9989   2.4000   4.65 -16.50   5.58   2.93 
1 1 1    2   24   12 o   7.5125   1.0478   8.3300 -129.8000   1.23  -8.16   2.24   0.85 
1 1 1    2   24   13 o   6.1908   0.6531   7.5434   93.000   0.58  -1.67   0.30   0.19 
1 1 1    2   24   14 o   27.073   0.7242   24.165 -27.2000   1.05 -12.91   3.90   0.00 
1 1 1    2   24   15 o   7.9141   0.4241   7.2799  132.200  -1.22  -0.00  -0.24   0.04 
1 1 1    2   24   16 o   12.692   1.0061   16.249 -144.7000  -8.29 -10.24   0.41  -3.71 
1 1 1    2   24   17 o   12.049   0.4108   0.8061 -166.3000   2.14  -1.93  -0.31   0.86 
1 1 1    2   24   18 o   18.583   1.3702   22.146  148.300  -1.12  31.60  10.41  -0.30 
1 1 1    2   24   19 o   9.3185   0.3741   10.426 -113.3000  -4.54  -1.94  -3.51  -2.12 
1 1 1    2   24   20 o   20.910   0.4671   22.064 -90.2000   0.36  -3.43   0.81  -0.06 
1 1 1    2   24   21 o   16.127   0.4254   17.197   46.900   0.57   2.00   0.24  -0.37 
1 1 1    2   24   22 o   8.1404   0.4715   7.0609 -171.2000   0.52   2.10   0.69  -0.10 
1 1 1    2   24   23 o   24.456   0.6157   17.031 -128.9000  -5.93  -5.28   0.30  -1.76 
1 1 1    2   24   24 o   7.3638   0.5103   8.5251  -8.2000   1.44   0.50  -0.42  -0.12 
1 1 1    2   24   25 o   7.9427   0.4960   4.8825   10.800   0.23  -1.07   0.17   0.26 
1 1 1    2   24   26 o   15.430   0.7066   13.575   85.500  -2.68   4.20   0.62   0.71 
1 1 1    2   24   27 o   11.373   0.3736   3.5775   5.8000   1.30   2.71   0.10  -1.82 
1 1 1    2   24   28 o   9.6409   0.6902   7.9953 -96.2000   2.49  -3.36   0.95   1.02 
1 1 1    2   24   29 o   4.6960   0.8807   7.6563 -138.7000  -0.20  -0.30  -0.01   0.19 
1 1 1    2   25    0 o   21.033   0.3714   39.111  -0.0000  -0.19   0.00   0.00   0.00 
1 1 1    2   25    1 o   14.800   0.5032   13.649  115.800  -0.28   4.55   1.36   0.33 
1 1 1    2   25    2 o   37.447   1.1175   37.670 -152.0000 -16.69 -10.62  -2.59  -4.16 
1 1 1    2   25    3 o   30.506   0.2451   26.732 -112.1000  -1.24  -0.28  -0.42   0.00 
1 1 1    2   25    4 o   33.697   0.5061   28.295   34.900   4.04   1.38  -0.66  -0.34 
1 1 1    2   25    5 o   28.994   0.2358   35.974  104.500  -0.71  -0.06  -0.28  -0.53 
1 1 1    2   25    6 o   14.226   0.2998   7.9809 -140.3000   1.72  -0.46  -0.51   0.50 
1 1 1    2   25    7 o   4.1006   1.0861   5.2272  174.600   3.03  -2.61  -0.08   1.37 
1 1 1    2   25    8 o   24.547   0.2397   23.281 -26.6000   1.77   2.31   1.84  -2.04 
1 1 1    2   25    9 o   20.852   0.8710   13.056   99.100   5.06  11.41   2.35  -2.12 
1 1 1    2   25   10 o   7.9282   1.7531   11.383 -117.2000 -21.82   5.79  -5.18   3.29 
1 1 1    2   25   11 o   4.9866   0.6794   9.2634   41.100   0.82   1.14   0.45  -0.64 
1 1 1    2   25   12 o   19.067   0.6650   19.457  104.300 -14.19  -1.88  -7.65  -3.59 
1 1 1    2   25   13 o   21.744   0.3211   20.195   30.900  -1.04  -1.10   0.21  -0.38 
1 1 1    2   25   14 o   19.411   0.2647   13.931 -138.3000  -0.47  -0.13   0.10  -0.37 
1 1 1    2   25   15 o   0.0000   2.3174  ?   ?    0.15   0.11   0.02  -0.09 
1 1 1    2   25   16 o   0.0000   2.2506  ?   ?    0.03  -0.08   0.02  -0.29 
1 1 1    2   25   17 o   7.6038   0.4545   3.3029   69.200  -0.06  -0.26   0.03  -0.09 
1 1 1    2   25   18 o   12.214   0.6643   9.3378 -152.5000  -1.57  -0.72  -0.05  -0.08 
1 1 1    2   25   19 o   16.838   0.2769   4.3551   2.7000  -2.78  -1.50  -0.11  -0.88 
1 1 1    2   25   20 o   13.039   0.3119   7.0580  148.600  -5.55  -0.17  -6.06  -4.19 
1 1 1    2   25   21 o   18.099   0.2664   15.664   29.200  -0.16   0.05  -0.02  -0.01 
1 1 1    2   25   22 o   11.900   0.6271   3.8288 -145.9000  -6.06  -2.85  -1.57  -1.20 
1 1 1    2   25   23 o   15.656   0.2924   16.301 -11.2000  -0.11  -1.20  -1.15  -1.47 
1 1 1    2   25   24 o   4.6065   0.8147   3.7641 -50.3000  -0.03  -0.15   0.02   0.03 
1 1 1    2   25   25 o   4.2199   0.8605   2.0131   97.200  -0.11  -0.31   0.10   0.07 
1 1 1    2   25   26 o   4.9722   0.8628   8.8853  116.600   1.53   1.17  -0.36  -0.43 
1 1 1    2   25   27 o   3.8229   1.7460   4.9821 -166.2000  -0.55  -3.07   0.56  -0.10 
1 1 1    2   25   28 f   9.2698   0.5645   11.679   30.700   0.02   0.24   0.01   0.01 
1 1 1    2   26    0 o   43.193   0.3673   32.033 -179.9000  -0.12   0.00   0.00   0.00 
1 1 1    2   26    1 o   25.352   0.2544   26.231 -152.0000  -0.11   0.31   0.01  -0.40 
1 1 1    2   26    2 o   22.813   0.5605   21.323   7.4000   6.50   1.73  -2.71  -2.52 
1 1 1    2   26    3 o   10.609   0.6263   13.634 -100.1000   3.02  -2.76  -0.34   1.44 
1 1 1    2   26    4 o   34.963   0.3786   39.142  122.600  -2.73   0.60  -3.23 -11.06 
1 1 1    2   26    5 o   14.870   0.3106   13.904   81.100  -1.06   0.95  -4.39   1.10 
1 1 1    2   26    6 f   9.7024   0.9869   11.266 -122.9000  -3.33   3.38  -0.04   0.58 
1 1 1    2   26    7 o   21.269   0.3109   27.995  142.700   2.74   8.20   3.96  -5.70 
1 1 1    2   26    8 f   10.333   0.4872   11.364 -10.1000   1.46   2.55   0.83  -0.84 
1 1 1    2   26    9 o   10.215   1.4704   14.095  124.100   2.90   9.02   1.06  -0.91 
1 1 1    2   26   10 o   15.158   0.3000   12.891   41.900   0.72  -1.42  -0.16   1.77 
1 1 1    2   26   11 o   22.972   1.1959   10.205  117.700 -23.24   6.66  -4.21   3.30 
1 1 1    2   26   12 o   14.988   0.9282   12.426  108.600  10.93  11.34  -0.38  -4.39 
1 1 1    2   26   13 o   7.9781   0.8986   8.3682 -166.9000  -3.30   1.84  -0.25   0.61 
1 1 1    2   26   14 o   10.462   1.4586   8.4223   24.900  -7.46   9.21   0.20   1.53 
1 1 1    2   26   15 f   14.559   0.3006   15.751  125.100  -0.19   0.60   0.08  -1.28 
1 1 1    2   26   16 o   13.828   0.2881   14.679 -54.5000  -0.14  -1.28   0.30  -0.64 
1 1 1    2   26   17 o   4.4851   1.1191   5.8006   12.300   0.44   1.32   0.14  -0.06 
1 1 1    2   26   18 o   24.741   0.2190   29.003  148.200  -4.20  -5.53   6.28  -4.07 
1 1 1    2   26   19 o   4.3116   0.7369   3.6497  108.800   0.19   0.01   0.15  -0.12 
1 1 1    2   26   20 o   19.765   0.5597   19.313 -51.5000   0.97  -5.05   2.79  -0.48 
1 1 1    2   26   21 o   12.703   0.3322   8.9056   72.000   1.10   1.96  -0.01  -0.80 
1 1 1    2   26   22 o   6.9355   1.3793   1.3353 -34.3000  -1.49  -3.42   0.21  -0.34 
1 1 1    2   26   23 o   2.5590   1.0293   2.6958 -104.0000   0.26  -0.08   0.13  -0.32 
1 1 1    2   26   24 o   7.0156   0.5905   0.4647 -135.9000  -0.55   0.14   0.04   0.23 
1 1 1    2   26   25 o   6.0033   1.6060   2.6207 -19.0000   5.62   1.16  -0.87  -0.63 
1 1 1    2   26   26 o   6.6948   0.8092   6.6554  142.900  -0.25   0.86   0.09  -0.01 
1 1 1    2   27    0 o   16.146   0.3811   15.850   0.2000   0.06   0.00   0.00   0.00 
1 1 1    2   27    1 o   31.035   0.2451   29.878  150.900   0.09  -0.50  -0.38  -0.12 
1 1 1    2   27    2 o   11.316   0.3376   17.469 -178.7000  -0.77   0.91   0.30   0.43 
1 1 1    2   27    3 o   7.2975   0.9570   12.290 -126.2000  -3.92  -1.41  -0.66  -0.41 
1 1 1    2   27    4 o   10.652   1.0776   9.1323 -63.4000   0.06 -10.04   2.66   0.36 
1 1 1    2   27    5 o   18.527   1.7519   15.844 -173.2000 -34.37  13.90  -4.55   5.16 
1 1 1    2   27    6 o   7.4600   0.8162   12.520   80.600  -3.01   0.42  -0.56   0.06 
1 1 1    2   27    7 o   21.941   0.4027   15.849  156.400  -2.67  -0.09  -0.72  -0.39 
1 1 1    2   27    8 o   7.3021   0.9524   2.8685 -76.0000   3.57  -0.54  -0.48   0.22 
1 1 1    2   27    9 o   15.682   0.2964   12.013 -130.7000  -0.85  -1.21  -1.13  -1.49 
1 1 1    2   27   10 o   6.7902   0.5104   4.4777 -69.2000  -0.87   0.42  -0.08   0.24 
1 1 1    2   27   11 o   20.338   0.2650   21.182   84.300  -0.18   0.68  -0.99  -0.65 
1 1 1    2   27   12 o   7.0857   0.5727   6.0566   90.500   1.98  -0.08  -0.75   0.39 
1 1 1    2   27   13 o   17.518   0.4666   11.986  104.700  -5.36  -1.24  -1.98  -2.19 
1 1 1    2   27   14 o   18.176   0.5690   17.194 -55.9000   1.98  -2.61   0.21   0.30 
1 1 1    2   27   15 o   9.6851   0.4607   8.0581   74.800   2.39   0.98  -0.89  -0.23 
1 1 1    2   27   16 o   6.7423   0.5671   7.3234 -27.4000   0.87   0.23  -0.03  -0.71 
1 1 1    2   27   17 o   5.8309   0.5923   10.443   7.2000   0.22   0.39   0.36   0.13 
1 1 1    2   27   18 o   0.0000   2.5544  ?   ?   -0.23  -0.04  -0.08   0.05 
1 1 1    2   27   19 o   7.4068   0.5443   7.5102 -48.7000  -0.87  -0.13  -0.07  -0.06 
1 1 1    2   27   20 o   7.9363   1.0721   7.8465 -88.6000   5.85   0.28  -1.22   0.19 
1 1 1    2   27   21 o   7.4484   0.5943   5.5583   60.500   1.41   1.25  -0.53  -0.55 
1 1 1    2   27   22 o   5.5047   2.4272   4.6031   47.900   3.81   3.52   0.07  -0.92 
1 1 1    2   27   23 o   10.878   0.4502   11.149   1.9000   0.90  -1.90   1.25  -0.27 
1 1 1    2   27   24 o   7.9954   0.5578   8.1476 -31.5000   0.70   0.18  -0.00  -0.17 
1 1 1    2   27   25 o   0.0000   2.7424  ?   ?   -0.08   0.12  -0.12  -0.04 
1 1 1    2   28    0 o   0.0000   3.3015   7.6841 -178.5000  -0.04   0.00   0.00   0.00 
1 1 1    2   28    1 o   15.005   0.2935   11.524 -131.7000  -1.37  -0.10  -0.44  -0.40 
1 1 1    2   28    2 o   9.7922   1.4034   10.940   15.600  15.16   5.64  -2.64  -2.80 
1 1 1    2   28    3 o   11.631   0.4160   16.840 -79.1000   1.87  -1.27  -2.16   1.07 
1 1 1    2   28    4 o   15.312   0.3110   17.020  159.400  -1.15   0.23   1.55  -3.45 
1 1 1    2   28    5 o   11.623   0.3617   11.816   1.5000   0.56   0.30   0.44  -0.50 
1 1 1    2   28    6 o   8.1046   0.5144   3.1564 -176.5000  -0.85   0.54  -0.20   0.15 
1 1 1    2   28    7 o   0.0000   2.3437  ?   ?   -0.02  -0.23   0.13   0.31 
1 1 1    2   28    8 o   4.3689   0.7203   9.0090 -52.4000   0.22  -0.07   0.04   0.14 
1 1 1    2   28    9 o   9.3776   0.5164   11.281  156.900   0.00   0.23  -0.01   0.10 
1 1 1    2   28   10 o   12.414   0.6118   10.560   67.600   3.41   3.59  -0.41  -1.31 
1 1 1    2   28   11 o   4.8993   0.8588   6.7103   55.100   0.06   0.08  -0.01  -0.00 
1 1 1    2   28   12 o   7.1836   0.5589   4.3439   60.600   0.19   0.62  -0.31   0.81 
1 1 1    2   28   13 f   9.2300   0.4858   8.2355  165.500  -0.61   0.12  -0.20  -0.26 
1 1 1    2   28   14 o   6.5137   0.6322   7.6939   83.500  -0.49  -0.86  -0.04  -0.31 
1 1 1    2   28   15 o   10.426   1.1151   8.4298  141.300  -7.74  -3.17  -0.91  -1.39 
1 1 1    2   28   16 o   13.024   0.3564   10.824 -16.5000   1.06   0.42   0.84  -0.78 
1 1 1    2   28   17 f   6.8629   0.5778   4.8016 -174.9000   0.47  -0.17  -0.15  -0.07 
1 1 1    2   28   18 o   17.292   0.3380   14.200  130.100  -1.27   3.10   2.44  -0.29 
1 1 1    2   28   19 o   6.3467   0.6655   2.4040 -106.6000  -0.25  -0.22  -0.07  -0.01 
1 1 1    2   28   20 o   18.200   0.2859   17.002   48.200   0.19   2.37   0.63   1.67 
1 1 1    2   28   21 o   2.4718   1.2602   2.3555 -38.6000   0.33   0.79   0.01  -0.32 
1 1 1    2   28   22 o   10.819   0.4441   7.1937   30.300  -0.36   0.38  -0.09   0.03 
1 1 1    2   28   23 o   1.4505   1.3685   4.3531 -140.6000   0.38  -0.06   0.05   0.12 
1 1 1    2   29    0 o   7.1274   0.8305   4.9202  179.700   0.18   0.00   0.00   0.00 
1 1 1    2   29    1 o   8.1689   0.4515   12.997  139.100  -0.67  -0.30  -0.01  -0.29 
1 1 1    2   29    2 o   9.3396   0.5780   9.5027   63.800   0.03   0.61  -0.30  -0.22 
1 1 1    2   29    3 o   14.274   0.5108   6.1473  135.100   0.03   1.23   0.03   0.40 
1 1 1    2   29    4 o   14.954   0.3886   20.625 -112.6000  -2.55  -0.22  -0.69   0.48 
1 1 1    2   29    5 o   8.5889   0.5863   10.635 -61.8000  -0.29   0.45   0.07   0.02 
1 1 1    2   29    6 o   10.377   0.4402   11.708 -17.1000  -0.37   1.75   0.27   0.40 
1 1 1    2   29    7 o   27.535   0.8442   25.768   91.400  10.82  10.08  -2.07  -3.76 
1 1 1    2   29    8 o   10.616   1.0409   11.495  156.000  -3.96   4.27   0.28   0.88 
1 1 1    2   29    9 o   7.5868   0.5739   11.312 -91.1000  -0.19  -0.27  -0.07   0.24 
1 1 1    2   29   10 o   16.591   0.3030   15.671 -79.5000   0.48  -0.38  -0.16  -0.42 
1 1 1    2   29   11 o   3.5245   1.0619   1.3225  146.700  -0.56   0.16  -0.02   0.17 
1 1 1    2   29   12 o   11.571   0.4308   4.1703  145.400  -1.25  -1.81  -0.05  -0.44 
1 1 1    2   29   13 f   0.0000   2.6267  ?   ?   -0.19  -0.16  -0.13   0.01 
1 1 1    2   29   14 o   14.487   0.3697   9.6427 -128.0000  -0.29   0.56   0.01  -0.32 
1 1 1    2   29   15 f   8.7594   0.4665   3.1319 -127.9000  -0.28  -0.93   0.23   0.05 
1 1 1    2   29   16 f   6.1541   0.7524   5.2083  149.200   0.11   0.16   0.02   0.00 
1 1 1    2   29   17 f   4.0696   0.8670   6.5526 -46.2000   0.64  -0.01  -0.12  -0.31 
1 1 1    2   29   18 o   1.8235   1.3123   2.6847 -21.2000   0.10  -0.25  -0.08   0.06 
1 1 1    2   29   19 o   4.0816   0.9113   2.9038  101.900  -0.18   0.06   0.03   0.02 
1 1 1    2   29   20 o   7.9644   0.5934   5.6001 -175.2000  -1.09   0.33  -0.32  -0.25 
1 1 1    2   29   21 o   8.7137   0.5553   9.5608 -177.6000  -1.15  -0.55   0.34  -0.30 
1 1 1    2   30    0 o   3.4059   1.3688   4.0693 -178.5000  -0.02   0.00   0.00   0.00 
1 1 1    2   30    1 o   3.0962   1.5273   2.8882 -56.6000   0.04  -0.51   0.03  -0.00 
1 1 1    2   30    2 o   6.5415   1.5229   7.0707   88.300   0.20   2.49   0.32   0.08 
1 1 1    2   30    3 o   3.5920   1.6598   3.5397 -136.9000   1.22  -0.54  -0.08   0.07 
1 1 1    2   30    4 o   4.5049   1.0411   1.5228  118.900  -0.38   0.01  -0.04  -0.07 
1 1 1    2   30    5 o   2.6874   1.2430   6.1881   8.6000   0.27   0.67   0.25   0.04 
1 1 1    2   30    6 o   9.0039   0.7585   6.9149 -11.5000   2.36   2.48   0.41  -0.69 
1 1 1    2   30    7 f   4.1052   1.0259   7.6896 -94.1000  -0.19  -0.01  -0.00  -0.02 
1 1 1    2   30    8 o   2.8355   1.3411   2.7035 -30.1000  -1.20  -0.97  -0.35  -0.42 
1 1 1    2   30    9 o   5.6622   0.8234   1.6143   43.300   0.61   1.48   0.39  -0.06 
1 1 1    2   30   10 o   9.4034   0.4896   8.1759  175.700  -1.04  -0.93   1.03  -0.19 
1 1 1    2   30   11 o   5.1518   0.7858   6.4317  -7.5000   0.32  -0.27   0.16  -0.18 
1 1 1    2   30   12 o   8.1261   0.5937   8.3884 -26.7000   0.38  -0.39  -0.20  -0.07 
1 1 1    2   30   13 o   3.6909   1.7403   4.8373   69.000   0.32  -0.30  -0.01   0.02 
1 1 1    2   30   14 o   7.9807   0.6227   5.3851  175.900  -1.03   0.07   0.10   0.58 
1 1 1    2   30   15 o   6.0587   0.8063   6.1295 -108.1000   0.69  -0.57   0.03   0.07 
1 1 1    2   30   16 o   4.1895   1.2700   6.5207   45.500   1.91   0.67  -0.46  -0.09 
1 1 1    2   30   17 o   8.1712   1.1935   3.5095  160.400   0.31   0.70   0.02  -0.01 
1 1 1    2   30   18 o   12.699   0.3998   8.9041 -147.2000  -2.80   1.23   0.65   1.19 
1 1 1    2   30   19 o   0.0000   2.7656  ?   ?   -0.03   0.02  -0.00   0.00 
1 1 1    2   31    0 o   6.1156   0.9518   4.9621  -1.5000   0.08   0.00   0.00   0.00 
1 1 1    2   31    1 o   0.0000   3.1902  ?   ?   -0.30  -0.14   0.01  -0.03 
1 1 1    2   31    2 o   4.9035   0.9320   8.3800  108.100   0.01   0.22  -0.04  -0.03 
1 1 1    2   31    3 o   10.933   0.6584   9.1793  179.900  -1.41  -0.06  -0.08  -0.04 
1 1 1    2   31    4 o   14.144   0.5244   12.054 -99.5000   2.64  -0.58  -0.22  -0.82 
1 1 1    2   31    5 f   9.2566   0.6521   2.9943 -123.7000  -0.23  -0.65  -0.01  -0.07 
1 1 1    2   31    6 o   17.568   0.9298   12.363 -56.0000   5.27  -9.21   2.59   1.78 
1 1 1    2   31    7 o   12.759   0.4463   11.555  121.700   0.12   0.23   0.01   0.00 
1 1 1    2   31    8 o   5.7647   1.3021   6.3009   95.500  -1.43   1.60   0.17   0.24 
1 1 1    2   31    9 o   5.8295   0.8830   3.7478  168.700   0.23   0.21  -0.02   0.08 
1 1 1    2   31   10 o   12.897   0.3769   11.529 -58.8000   0.35   0.38   0.15   0.07 
1 1 1    2   31   11 o   4.2525   1.0112   2.3391 -149.4000   0.25  -0.08   0.05  -0.05 
1 1 1    2   31   12 o   8.4999   0.7338   5.5271   24.800   0.80  -0.39  -0.16  -0.10 
1 1 1    2   31   13 o   7.6706   0.8497   9.5110  130.400  -0.10  -0.07   0.00  -0.00 
1 1 1    2   31   14 o   3.3954   1.0702   6.1612 -154.7000  -0.58   0.73   0.48  -0.19 
1 1 1    2   31   15 o   2.9352   1.4324   3.4927 -126.0000  -1.00  -0.17  -0.09  -0.18 
1 1 1    2   31   16 o   4.3650   1.1163   5.3981  155.800  -0.16  -0.10  -0.01   0.00 
1 1 1    2   32    0 o   7.4766   0.8586   12.677   0.1000   0.05   0.00   0.00   0.00 
1 1 1    2   32    1 f   8.1723   1.1473   4.9085   13.400   1.14  -1.50   0.11   0.12 
1 1 1    2   32    2 o   1.7049   1.6879   4.5022   79.200   0.02   0.00  -0.00   0.00 
1 1 1    2   32    3 o   6.2418   1.6202   8.6529   55.300   0.51   1.28   0.03  -0.12 
1 1 1    2   32    4 o   4.9258   0.8708   2.6467   25.000  -0.71   0.87   0.23   0.13 
1 1 1    2   32    5 o   9.2056   0.6772   6.5132   22.700   0.23  -0.26   0.03  -0.03 
1 1 1    2   32    6 o   3.2714   1.2870   3.4601 -13.7000   0.13  -0.29  -0.03   0.03 
1 1 1    2   32    7 o   4.6358   2.1187   0.8330   58.100  -1.85  -2.78   0.24  -0.36 
1 1 1    2   32    8 o   7.7307   0.6715   7.5371   50.300   0.72   0.19  -0.01  -0.07 
1 1 1    2   32    9 o   0.1720   0.8273   3.7482  -0.2000   0.06  -0.02   0.00  -0.00 
1 1 1    2   32   10 o   7.8885   1.2959   10.639  140.300  -5.22  -0.51  -0.71  -0.56 
1 1 1    2   32   11 o   7.6723   1.1959   7.3064   54.400   0.65  -0.06  -0.02  -0.02 
1 1 1    2   32   12 o   7.0131   0.9675   11.351 -43.4000   0.33  -1.11  -0.12  -0.23 
1 1 1    2   32   13 o   0.1729   0.8695   2.1731 -141.4000  -0.28  -1.09   0.16   0.01 
1 1 1    2   33    0 o   13.229   0.9400   13.001  -0.2000   0.27   0.00   0.00   0.00 
1 1 1    2   33    1 o   12.071   0.6177   6.7361 -126.0000   0.48  -0.52  -0.06  -0.03 
1 1 1    2   33    2 o   6.3351   0.7478   4.2004   52.800  -0.71   0.34  -0.11  -0.06 
1 1 1    2   33    3 o   4.6787   2.1705   3.3174 -102.2000   0.26  -0.40   0.00   0.01 
1 1 1    2   33    4 o   9.6021   1.6267   6.7108   83.400  -0.39  -0.33   0.00   0.00 
1 1 1    2   33    5 o   3.3356   2.0474   4.0196 -53.8000   0.51   0.24   0.03  -0.03 
1 1 1    2   33    6 o   0.0000   2.7265  ?   ?   -0.13   0.35  -0.18  -0.02 
1 1 1    2   33    7 o   4.3677   1.1906   8.9779 -154.8000  -0.13  -0.08  -0.00   0.00 
1 1 1    2   33    8 o   1.8138   1.5882   2.2377  136.900  -0.22   1.22   0.20  -0.12 
1 1 1    2   33    9 o   0.0000   3.3670  ?   ?   -0.14   0.29  -0.06  -0.02 
1 1 1    3    0    2 o   43.269   0.3757   42.304 -180.0000  -0.41   0.00   0.00   0.00 
1 1 1    3    0    3 o   12.590   0.1685   10.568 -91.8000  -0.00  -0.21   0.00   0.00 
1 1 1    3    0    4 o   15.116   0.1182   27.494  -1.4000   0.41   0.00   0.00   0.00 
1 1 1    3    0    5 f  103.257   1.6118  104.868   90.000  -0.00  -0.04   0.00   0.00 
1 1 1    3    0    6 f   92.678   1.0535   52.451  -0.0000  -1.16   0.00   0.00   0.00 
1 1 1    3    0    7 o   89.265   0.8621   88.579 -89.8000  -0.00  -0.02   0.00   0.00 
1 1 1    3    0    8 o   16.997   0.1545   2.1392 -168.1000   0.06   0.00   0.00   0.00 
1 1 1    3    0    9 o   19.925   0.1717   24.949   90.700   0.00   0.12   0.00   0.00 
1 1 1    3    0   10 o   66.425   0.3995   54.299  179.900   0.01   0.00   0.00   0.00 
1 1 1    3    0   11 o   53.007   0.3467   63.057   90.500   0.00   0.31   0.00   0.00 
1 1 1    3    0   12 o   11.870   0.1988   22.081   1.2000   0.00   0.00   0.00   0.00 
1 1 1    3    0   13 o   68.851   0.4265   44.583   89.900  -0.00  -0.88   0.00   0.00 
1 1 1    3    0   14 o   23.586   0.2122   29.982 -179.2000  -0.15   0.00   0.00   0.00 
1 1 1    3    0   15 o   29.346   0.2416   41.127   89.900   0.00   0.23   0.00   0.00 
1 1 1    3    0   16 o   8.6718   0.3329   20.548   0.1000   0.13   0.00   0.00   0.00 
1 1 1    3    0   17 o   54.612   0.4882   38.015   90.600  -0.00  -0.20   0.00   0.00 
1 1 1    3    0   18 o   26.243   0.2323   18.308 -180.0000  -0.10   0.00   0.00   0.00 
1 1 1    3    0   19 o   15.453   0.2295   3.2001  100.600   0.00   0.03   0.00   0.00 
1 1 1    3    0   20 o   87.404   0.5322  103.088 -180.0000  -0.16   0.00   0.00   0.00 
1 1 1    3    0   21 f   14.367   0.2799   9.4620   86.900   0.00   0.02   0.00   0.00 
1 1 1    3    0   22 o   92.473   0.5702   80.577   0.3000   0.43   0.00   0.00   0.00 
1 1 1    3    0   23 o   20.654   0.2794   12.697 -89.3000   0.00   0.06   0.00   0.00 
1 1 1    3    0   24 o   29.545   0.2849   34.893   0.3000  -0.04   0.00   0.00   0.00 
1 1 1    3    0   25 o   15.868   0.3904   0.3895  118.900   0.00   0.00   0.00   0.00 
1 1 1    3    0   26 o   86.898   0.5637   74.214   0.4000   0.37   0.00   0.00   0.00 
1 1 1    3    0   27 o   27.444   0.4551   14.623 -88.6000  -0.00  -0.14   0.00   0.00 
1 1 1    3    0   28 f   66.010   0.4499   57.778  179.600   0.24   0.00   0.00   0.00 
1 1 1    3    0   29 o   13.524   0.3565   22.878 -90.2000  -0.00  -0.10   0.00   0.00 
1 1 1    3    0   30 f   4.3818   0.7990   12.109 -179.2000  -0.02   0.00   0.00   0.00 
1 1 1    3    0   31 o   33.438   0.3404   24.245 -89.2000   0.00   0.32   0.00   0.00 
1 1 1    3    0   32 o   4.8990   0.7905   11.125  179.600  -0.08   0.00   0.00   0.00 
1 1 1    3    0   33 o   13.353   0.3821   13.300 -89.9000   0.00   0.08   0.00   0.00 
1 1 1    3    0   34 o   40.837   0.3556   44.167  -0.1000   0.46   0.00   0.00   0.00 
1 1 1    3    0   35 o   5.2726   0.7052   6.0909 -89.6000  -0.00  -0.10   0.00   0.00 
1 1 1    3    0   36 o   1.9748   1.3783   6.1004  -0.1000  -0.10   0.00   0.00   0.00 
1 1 1    3    0   37 o   17.835   0.3572   11.541   89.600   0.00   0.21   0.00   0.00 
1 1 1    3    0   38 o   21.989   0.3491   14.868 -179.8000   0.19   0.00   0.00   0.00 
1 1 1    3    0   39 f   9.6592   0.5847   5.0993 -89.3000  -0.00  -0.05   0.00   0.00 
1 1 1    3    0   40 o   7.8867   0.7018   10.975 -179.5000   0.03   0.00   0.00   0.00 
1 1 1    3    0   41 o   28.517   0.3738   26.056 -89.9000  -0.00  -0.87   0.00   0.00 
1 1 1    3    1    0 o   41.458   0.2553   27.461   89.200  -0.00  -0.43   0.00   0.00 
1 1 1    3    1    1 o   21.800   3.4255   31.825 -108.9000   3.29  -0.55  -0.40   0.25 
1 1 1    3    1    2 o   57.075   1.4512   37.564  136.900  -0.12   2.67   0.42  -1.26 
1 1 1    3    1    5 o   97.405   1.6394   87.661  100.700   0.11   0.88   0.00   0.00 
1 1 1    3    1    6 o   98.100   1.9731   98.813   99.400  11.93   2.43  -7.68  -6.96 
1 1 1    3    1    7 o   89.622   2.1059   72.972  164.900 -15.82   1.47  -4.28   0.31 
1 1 1    3    1    8 o   85.278   0.4092   83.569  133.600   0.98   2.28  -1.58  -8.20 
1 1 1    3    1    9 o   85.106   2.1363   59.366   73.400   5.89  21.04   4.33  -3.14 
1 1 1    3    1   10 o   34.983   0.5005   37.390   59.100   7.25   0.87  -8.65  -1.13 
1 1 1    3    1   11 o   31.121   0.5651   36.560   42.300   6.68  -5.81  -0.54   9.18 
1 1 1    3    1   12 o   49.888   1.8675   52.675 -111.2000 -29.78 -14.19 -12.36 -12.75 
1 1 1    3    1   13 o   26.338   1.8417   21.011 -161.7000 -16.91   5.99  -5.77   4.20 
1 1 1    3    1   14 o   34.423   2.4508   48.546 -156.4000 -25.45 -10.17  -5.22  -5.59 
1 1 1    3    1   15 o   39.790   2.4952   32.675  173.700 -17.59  -9.27  -3.30  -5.91 
1 1 1    3    1   16 o   52.732   1.2053   54.945   87.700  13.84  11.36  -0.82  -3.26 
1 1 1    3    1   17 o   43.451   1.9400   20.553  132.900 -14.79  -1.30  -6.71  -1.69 
1 1 1    3    1   18 o   58.993   2.1932   61.780 -59.6000  28.11  -7.05 -13.04   6.08 
1 1 1    3    1   19 o   98.625   2.1531   98.847  -1.8000  10.29   3.62  -3.61  -4.06 
1 1 1    3    1   20 o   57.077   0.2704   53.524   30.200   3.18  -6.66   4.02   4.11 
1 1 1    3    1   21 o   76.997   2.2928   80.233 -139.0000 -30.18 -15.73  -4.38  -5.80 
1 1 1    3    1   22 o   49.659   0.2570   33.511   53.700   0.69  -0.10  -0.14   0.07 
1 1 1    3    1   23 o   10.916   1.5202   6.8686 -58.4000  12.51 -14.68   1.44   9.95 
1 1 1    3    1   24 o   98.889   0.4276   76.132   65.000  -1.16   0.25  -0.56   0.96 
1 1 1    3    1   25 o   92.348   0.7703   87.219 -177.6000  -0.34  -4.59   4.45  -2.89 
1 1 1    3    1   26 o   12.956   0.4457   15.077 -99.1000  -0.16   0.36   0.23   0.56 
1 1 1    3    1   27 o   30.600   0.2537   21.458 -35.5000  -0.95  -2.20   2.49  -4.39 
1 1 1    3    1   28 f   40.886   1.5434   39.305   33.000  23.48  -2.25  -7.31   1.01 
1 1 1    3    1   29 o   27.480   0.2131   27.466   4.8000  -1.16   1.72   7.61   6.50 
1 1 1    3    1   30 o   18.253   0.3486   9.6125 -48.8000   3.14   2.74  -0.69  -2.64 
1 1 1    3    1   31 o   17.335   0.4309   15.458  110.900   2.83  -1.21  -0.93   0.77 
1 1 1    3    1   32 o   37.625   0.4604   45.281   89.900  -3.26   0.65  -0.99   0.83 
1 1 1    3    1   33 o   7.7472   1.0009   16.009 -130.1000  -5.39 -11.23   3.44  -4.77 
1 1 1    3    1   34 o   26.810   0.2865   21.888  124.500   2.15   3.57   1.38  -1.47 
1 1 1    3    1   35 o   31.032   0.3786   36.106  179.600  -0.92   0.78   0.21   0.50 
1 1 1    3    1   36 o   10.562   0.3367   12.661 -98.0000   0.31   0.24  -0.22  -0.13 
1 1 1    3    1   37 o   35.719   0.7974   42.671 -151.4000  -6.96 -15.54   7.66  -4.98 
1 1 1    3    1   38 o   5.2725   0.6203   11.689 -178.5000   0.31   0.25  -0.20  -0.18 
1 1 1    3    1   39 o   42.113   0.2711  ?   ?   -0.41   7.71   6.84  11.99 
1 1 1    3    1   40 o   10.764   0.6431   12.037   32.300   2.53  -1.66  -0.36   0.52 
1 1 1    3    1   41 o   13.195   0.3403   10.766  141.100   0.65   0.81  -0.73  -0.57 
1 1 1    3    2    0 o   70.740   1.1454   52.024   90.300  -0.00  -1.74   0.00   0.00 
1 1 1    3    2    1 f   30.308   6.9150   26.736   79.200  15.54  19.70   0.46  -6.43 
1 1 1    3    2    2 o   43.248   0.5348   40.270  152.600  -1.45  -0.51   1.19  -0.71 
1 1 1    3    2    3 o   50.104   0.4342   32.306 -12.9000  -1.04   0.11   0.21  -0.51 
1 1 1    3    2    4 o   62.567   2.3727   62.316 -121.4000  29.91 -33.94   6.88  34.16 
1 1 1    3    2    5 o   44.056   0.2042   25.252 -157.4000  -0.29  -0.93   0.37  -0.47 
1 1 1    3    2    6 o   82.813   3.9394   81.207   2.5000  28.53 -26.10  -2.98  15.37 
1 1 1    3    2    7 o   57.644   3.9687   61.563 -115.9000  17.99 -50.52  10.19   8.91 
1 1 1    3    2    8 o   14.485   4.0139   6.6637   78.600  19.92  58.01  12.84  -9.84 
1 1 1    3    2    9 o   36.808   2.6342   25.152 -58.6000  16.48 -28.05   3.73   6.34 
1 1 1    3    2   10 o   65.080   1.6669   54.030 -69.1000  25.97  -3.48 -13.80   4.93 
1 1 1    3    2   11 o   89.148   1.0365   87.905 -10.6000   8.50   4.21  -1.54  -2.80 
1 1 1    3    2   12 o   60.786   0.5147   54.216   9.6000   0.45  -0.23   0.32   0.40 
1 1 1    3    2   13 o   26.858   2.5763   26.358 -32.5000  22.55  -9.30  -4.21   3.90 
1 1 1    3    2   14 o   40.173   3.6392   36.273 -76.8000  28.13 -41.81   4.08  11.66 
1 1 1    3    2   15 o   11.422   3.8806   7.7547 -106.3000  44.13 -35.77  -1.01   5.14 
1 1 1    3    2   16 o   57.330   3.2104   53.805   72.500  -0.95  37.60  12.98   1.35 
1 1 1    3    2   17 o   53.656   1.7981   67.126 -63.5000  -1.27 -27.51   6.49  -0.91 
1 1 1    3    2   18 o   88.567   1.1333   78.442  150.400  -4.82  -2.21  -3.19 -13.07 
1 1 1    3    2   19 o   22.743   4.0086   14.165   64.700  21.28  93.80  25.19 -11.80 
1 1 1    3    2   20 o   44.541   0.9845   45.698   98.900 -10.74   3.24  -3.10   2.23 
1 1 1    3    2   21 o   73.428   1.0242   57.587 -50.5000   5.99  -1.06  -3.50   0.76 
1 1 1    3    2   22 o   95.842   0.4247   92.665 -20.3000  -0.04  -5.44   5.22  -2.28 
1 1 1    3    2   23 o   69.368   0.5098   71.567  -5.4000   0.99  -2.67   1.23   0.61 
1 1 1    3    2   24 o   50.349   3.6397   51.095   37.100  42.57 122.73  29.89 -24.24 
1 1 1    3    2   25 f   51.042   0.8157   45.572 -99.0000  -0.14  -0.86   0.07  -0.04 
1 1 1    3    2   26 o   27.672   0.2465   28.454 -17.9000   0.02   0.11   0.03  -0.04 
1 1 1    3    2   27 o   22.970   1.1697   21.244 -113.1000  -8.47  -9.51   0.44  -3.06 
1 1 1    3    2   28 o   22.799   0.5970   17.840 -122.3000  -3.59  -1.99  -0.78  -1.07 
1 1 1    3    2   29 o   23.453   0.6430   15.350 -163.1000   0.26  -7.07   1.66   0.04 
1 1 1    3    2   30 o   11.226   0.9143   1.6887  157.600   3.58  -4.05   0.09   1.14 
1 1 1    3    2   31 o   29.587   0.2126   22.844 -51.9000   1.22   1.92  -0.37  -4.59 
1 1 1    3    2   32 o   11.622   0.2949   17.380 -139.0000  -0.94   0.04  -1.31  -0.39 
1 1 1    3    2   33 o   40.584   0.8950   40.933 -81.4000   4.94 -11.50   1.71   2.45 
1 1 1    3    2   34 o   26.175   0.4085   30.107 -10.6000   1.68  10.92   8.81  -0.84 
1 1 1    3    2   35 o   3.9655   0.8085   5.8079 -91.1000   2.64  -2.26  -0.47   1.78 
1 1 1    3    2   36 o   15.506   1.3249   17.986 -31.2000   2.80 -12.86   2.03   1.17 
1 1 1    3    2   37 o   22.408   0.6767   29.127  178.300 -12.25  -3.59  -3.39  -2.99 
1 1 1    3    2   38 o   9.5749   0.3770   9.5606  142.300  -0.87  -0.46  -0.08  -0.24 
1 1 1    3    2   39 o   21.985   0.2473   16.045  154.700  -3.76  -4.58   3.61  -5.24 
1 1 1    3    2   40 o   6.4836   0.5862   9.5629  -6.6000   0.02  -0.98   0.44  -0.17 
1 1 1    3    2   41 o   14.528   1.0501   13.802 -134.7000  -0.26  -6.80   1.43  -0.44 
1 1 1    3    3    0 o   65.669   0.4792   77.400   89.900  -0.00  -2.05   0.00   0.00 
1 1 1    3    3    1 f   53.353   1.4277   47.495   15.000  -0.21  -1.74   0.30   0.31 
1 1 1    3    3    3 o   61.372   2.3045   65.506 -102.2000   1.35 -13.70   2.40   0.32 
1 1 1    3    3    4 o   32.439   2.6815   21.273 -179.2000 -18.29  14.38  -1.52   5.57 
1 1 1    3    3    5 o   10.081   1.5843   23.455   2.1000  11.38   9.90  -0.78  -6.26 
1 1 1    3    3    6 o   6.5945   1.5566   11.422   92.600   8.21  11.15   1.34  -4.10 
1 1 1    3    3    8 o   92.664   4.6166   96.665   68.300  19.46  37.71   4.60  -7.59 
1 1 1    3    3    9 o   15.561   0.1192   10.540 -41.1000   0.12  -0.15   0.09   0.18 
1 1 1    3    3   10 o   18.762   0.6864   33.336   22.700   4.21  -8.12   3.85   5.97 
1 1 1    3    3   11 o   57.704   2.3352   47.221 -172.7000 -27.29  14.77  -5.86   8.10 
1 1 1    3    3   12 o   25.482   0.8115   31.275 -32.4000   6.16   6.06   0.86  -8.54 
1 1 1    3    3   13 o   10.154   1.5282   6.1516  143.500  -3.23   9.22   1.64   1.26 
1 1 1    3    3   14 o   58.772   0.2671   64.889 -102.2000  -2.19  -0.92  -2.80  -0.08 
1 1 1    3    3   15 o   39.181   0.7073   49.753 -102.7000   1.78  -2.28  -3.78   7.66 
1 1 1    3    3   16 o   20.669   0.3749   26.310  135.400  -1.97   0.69  -3.76   2.02 
1 1 1    3    3   17 o   35.447   2.8309   32.832 -174.5000 -34.66  23.14  -5.22  11.64 
1 1 1    3    3   18 o   43.929   1.6892   46.687 -117.2000   5.58 -12.93   4.32   5.13 
1 1 1    3    3   19 o   70.019   1.4804   85.273   7.9000   3.90   2.72  -0.50  -2.03 
1 1 1    3    3   20 o   50.012   0.2435   32.016   19.500   1.82  -1.92   4.67  11.38 
1 1 1    3    3   21 o   42.968   1.0652   33.071  171.100  -6.02  -6.46   0.34  -2.91 
1 1 1    3    3   22 o   43.903   1.2356   37.135 -57.5000   4.72  -5.40   0.13   2.15 
1 1 1    3    3   23 f   47.480   0.9381   56.911   35.000   0.25   4.96   1.77  -0.38 
1 1 1    3    3   24 o   44.292   0.3445   23.726  174.900  -5.09   7.07   9.74  19.81 
1 1 1    3    3   25 o   46.902   0.5835   58.064 -128.4000  -5.40   0.13  -1.60  -0.07 
1 1 1    3    3   26 o   18.344   3.4381   10.097  155.500 -45.34  28.33  -6.12  12.12 
1 1 1    3    3   27 o   37.840   0.3666   43.640 -75.0000  -1.97  -0.66  -8.87  -1.57 
1 1 1    3    3   28 o   29.337   0.2013   40.963 -18.9000   1.47   1.51   2.84  -6.15 
1 1 1    3    3   29 o   51.690   0.2631   49.663  -0.8000   0.11  -2.35   2.71   1.95 
1 1 1    3    3   30 o   21.276   1.3824   20.731 -130.6000 -22.81  -9.35  -5.77  -6.18 
1 1 1    3    3   31 o   35.084   0.2135   38.181   39.400   0.05   0.18  -0.27  -0.04 
1 1 1    3    3   32 o   15.792   1.2420   22.254   83.900  11.15  11.73   0.02  -3.85 
1 1 1    3    3   33 o   22.404   0.2268   25.152 -36.8000   0.72   2.31   6.68   0.18 
1 1 1    3    3   34 o   21.867   1.1677   16.068 -123.2000   0.85 -14.35   4.59   0.10 
1 1 1    3    3   35 o   9.0638   0.4614   12.967 -118.4000   0.13  -4.21   1.94   0.35 
1 1 1    3    3   36 o   11.044   0.3439   14.737 -123.5000   1.33  -1.48  -0.42   1.44 
1 1 1    3    3   37 o   42.518   0.5301   41.015 -109.0000   3.55  -9.98   1.64   2.43 
1 1 1    3    3   38 o   15.609   0.4035   11.007 -140.9000  -2.52  -1.22  -0.25  -0.52 
1 1 1    3    3   39 o   34.267   0.4622   29.465   34.900   0.46  10.87   5.60   1.41 
1 1 1    3    3   40 o   10.133   0.7481   11.320 -11.1000   2.14  -1.00  -0.18   0.35 
1 1 1    3    3   41 o   0.0000   2.4631  ?   ?   -0.19  -0.11  -0.03  -0.02 
1 1 1    3    4    0 o   77.118   0.5677   79.123   89.700  -0.00  -0.74   0.00   0.00 
1 1 1    3    4    1 o   61.470   2.9131   45.284  163.100 -13.46  28.09   4.73   6.50 
1 1 1    3    4    2 o   79.218   5.1440   70.276  103.700  14.92  43.50   7.67  -6.82 
1 1 1    3    4    3 o   80.306   2.4971   64.996 -128.6000   2.33 -26.62   8.30   0.72 
1 1 1    3    4    4 o   29.221   4.2146   42.134  135.400 -65.67  42.52  -9.83  21.07 
1 1 1    3    4    5 o  106.828   1.6594  120.967 -135.4000   0.41  -1.56   0.00   0.00 
1 1 1    3    4    6 o   67.010   2.8296   63.618   15.000  30.97 -27.44  -3.27  17.67 
1 1 1    3    4    7 o  104.073   1.2259   95.856 -161.3000  -1.24   0.03   0.00   0.00 
1 1 1    3    4    8 o   84.103   1.1034   96.969   72.600   2.00   0.95  -0.23  -0.50 
1 1 1    3    4    9 o  140.567   2.1881  123.783  174.200   1.05   2.79   0.00   0.00 
1 1 1    3    4   10 o   6.6383   0.5867   16.368 -138.8000  -4.16  -5.64   2.71  -7.92 
1 1 1    3    4   11 o   53.052   1.8814   57.300  160.500 -17.34 -10.00  -5.46  -7.38 
1 1 1    3    4   12 o   64.643   1.6814   60.360   93.400   2.09   6.74   1.77  -0.78 
1 1 1    3    4   13 o   49.100   1.4846   43.643  150.000  -9.75  13.54   2.57   5.69 
1 1 1    3    4   14 o   6.0798   1.8055   21.985  171.100  -8.60  11.54   0.71   2.22 
1 1 1    3    4   15 o   53.746   0.8187   59.488   37.900   4.01   4.69  -0.03  -1.25 
1 1 1    3    4   16 o   49.601   0.2339   54.571  170.900  -0.36  -1.79   0.70  -0.52 
1 1 1    3    4   17 o   57.970   0.5538   73.882 -149.5000   2.43 -11.33  17.45  11.62 
1 1 1    3    4   18 o   48.841   0.9519   57.911  121.700  11.15  14.67   2.57 -12.40 
1 1 1    3    4   19 o   54.338   0.9734   61.646  124.600  -3.61   7.14   1.03   1.28 
1 1 1    3    4   20 o   44.903   0.5567   54.916 -47.7000   1.54   0.04  -1.00  -0.20 
1 1 1    3    4   21 o   19.587   2.4920   16.799 -134.4000  -6.36 -39.86  10.28  -3.27 
1 1 1    3    4   22 f   47.617   3.0270   38.925 -138.7000 -14.91 -48.06  12.36  -9.07 
1 1 1    3    4   23 o   40.808   0.5983   36.271   51.000  11.37  -4.96  -8.16  10.03 
1 1 1    3    4   24 o   57.027   2.8810   64.144 -133.7000 -21.36 -106.84  28.10 -11.16 
1 1 1    3    4   25 f   19.296   0.3981   27.145 -39.4000   0.28   0.09   0.55  -3.28 
1 1 1    3    4   26 o   7.4646   0.7270   14.800  174.000  -2.46   4.40   1.86   3.35 
1 1 1    3    4   27 o   55.149   1.2605   49.592   84.600  -1.28   6.64   2.01   0.56 
1 1 1    3    4   28 o   10.717   1.1940   10.422   50.100   8.41  13.28   2.29  -4.61 
1 1 1    3    4   29 o   60.105   0.8662   59.721  108.100   6.75  11.97   2.47  -3.14 
1 1 1    3    4   30 o   4.1462   0.8940   8.4414 -98.8000  -0.10  -2.65   0.89  -0.03 
1 1 1    3    4   31 o   35.272   0.3946   40.309   61.100   4.82  -0.29  -1.90   0.63 
1 1 1    3    4   32 o   15.268   0.2662   17.767 -18.4000   2.48   0.89  -1.81  -0.95 
1 1 1    3    4   33 o   25.315   0.2751   31.296 -80.8000   1.18  -1.62   0.50   0.71 
1 1 1    3    4   34 o   13.741   0.7955   16.155 -38.6000  -1.21 -10.87   5.14  -1.68 
1 1 1    3    4   35 o   16.243   0.8479   22.674   29.800   0.73  17.09   6.74  -0.05 
1 1 1    3    4   36 o   26.241   0.5843   27.240 -17.8000   4.21   1.27  -0.77  -0.89 
1 1 1    3    4   37 o   15.077   1.2833   14.301 -19.5000  10.60 -20.70   4.77   5.64 
1 1 1    3    4   38 o   12.297   0.5762   6.5220   90.500   0.15   3.39   1.17  -0.39 
1 1 1    3    4   39 o   15.490   1.0288   10.756   86.600  -6.30  13.25   3.27   3.25 
1 1 1    3    4   40 o   9.6313   0.6153   6.3886 -40.6000   0.54  -2.35   0.51   0.12 
1 1 1    3    4   41 o   7.9283   0.5204   7.2316  119.700  -0.08  -0.86   0.25  -0.27 
1 1 1    3    5    0 o   44.652   0.3246   19.177   88.800  -0.00  -0.78   0.00   0.00 
1 1 1    3    5    2 o   47.820   4.0937   51.386   64.800  54.66  36.13  -6.61 -14.50 
1 1 1    3    5    3 o   57.254   0.2631   51.269  151.000  -0.07  -1.79   3.60  -2.92 
1 1 1    3    5    4 o   81.714   1.9870   81.474   78.200  12.04   2.34  -2.60  -1.41 
1 1 1    3    5    6 o   10.678   3.2412   24.599 -170.8000 -40.01   6.28  -8.84   2.92 
1 1 1    3    5    7 o   91.992   0.4560   93.601 -159.7000  -0.10  -2.45   4.61   6.38 
1 1 1    3    5    8 o   21.819   0.8201   17.221 -19.9000   1.32  -9.02   7.65   1.86 
1 1 1    3    5    9 o   61.308   0.2741   83.327 -78.5000   3.70  -0.92 -33.89 -11.55 
1 1 1    3    5   10 o   82.679   0.3554   91.290   55.100   0.23  -0.15   0.01   0.02 
1 1 1    3    5   11 o   54.540   0.7408   69.017 -156.9000   0.97  -5.41   1.49   0.27 
1 1 1    3    5   12 o   41.975   4.9862   45.916  -3.9000 108.25 -13.29 -25.92   7.24 
1 1 1    3    5   13 o   19.955   1.6138   26.832 -14.1000  15.28  -1.28  -4.72   0.56 
1 1 1    3    5   14 o   51.108   0.3727   44.921 -62.3000   1.83  -1.05  -2.18   0.83 
1 1 1    3    5   15 o   27.458   1.8973   15.748 -64.0000 -40.47   8.60 -15.24   7.25 
1 1 1    3    5   16 o   40.976   1.4831   34.678   39.800  17.30  -0.22  -6.99   0.59 
1 1 1    3    5   17 o   63.270   2.0168   69.826  147.500 -20.15   0.89  -4.56   0.18 
1 1 1    3    5   18 o   30.610   3.0366   31.499 -109.9000   2.91 -50.39  11.72   1.53 
1 1 1    3    5   19 o   77.964   0.4603   63.726 -61.1000  -0.53  -1.21   0.43  -0.29 
1 1 1    3    5   20 o   34.510   3.3125   19.195  149.700 -51.50  51.61  -0.19  19.50 
1 1 1    3    5   21 o   87.979   0.8614   83.877  174.400  -2.38  -4.08   1.37  -1.66 
1 1 1    3    5   22 o   76.067   1.0288   68.977   12.700  -0.22   6.68   3.72   1.03 
1 1 1    3    5   23 o   11.636   0.6922   6.7968  106.300  -1.54   8.56   4.22   1.66 
1 1 1    3    5   24 o   31.859   2.8881   29.017 -103.2000   7.60 -48.96  10.82   3.65 
1 1 1    3    5   25 o   38.296   2.7580   33.575  139.600 -44.81   5.98 -11.00   2.71 
1 1 1    3    5   26 o   56.697   2.8992   51.227 -35.2000  42.23  -6.22 -11.69   4.24 
1 1 1    3    5   27 o   5.9585   0.4966   12.001   86.400  -0.61  -0.26  -1.23  -0.96 
1 1 1    3    5   28 o   18.315   1.6860   20.435 -41.9000  51.93  10.82 -21.03  -9.65 
1 1 1    3    5   29 o   22.296   2.1013   20.199 -17.9000  80.57  15.70 -25.37  -9.78 
1 1 1    3    5   30 o   31.972   0.4177   42.568 -160.7000  -8.16   6.51  -0.63   8.96 
1 1 1    3    5   31 o   11.216   0.5274   12.094   19.400   0.72   2.86   0.69  -0.44 
1 1 1    3    5   32 o   9.6832   0.4155   9.1529  120.300   0.12   2.05   0.69  -0.16 
1 1 1    3    5   33 o   7.4560   0.4393   7.6386   13.300   0.23  -0.03   0.92   1.54 
1 1 1    3    5   34 o   28.939   0.6834   30.729 -16.9000   3.66 -14.39  12.21   3.57 
1 1 1    3    5   35 o   12.734   0.4609   14.569 -99.1000  -1.12  -2.87   0.98  -0.54 
1 1 1    3    5   36 o   8.5116   1.0430   14.024 -135.3000  -7.17   1.59  -1.62   0.92 
1 1 1    3    5   37 o   16.568   0.6937   16.538 -115.1000  -7.94  -5.35  -2.29  -3.77 
1 1 1    3    5   38 o   12.467   0.7158   14.990 -127.5000   0.03  -8.01   2.24   0.30 
1 1 1    3    5   39 f   11.541   0.3469   7.4199 -13.2000   0.12   0.11   0.05   0.18 
1 1 1    3    5   40 o   4.0305   1.4330   3.6730  114.100   0.67   0.16  -0.03  -0.01 
1 1 1    3    5   41 o   8.0941   1.1721   8.2797 -116.1000   2.55  -3.76   0.16   0.78 
1 1 1    3    6    0 o   57.057   0.3501   20.394 -90.2000  -0.00  -0.34   0.00   0.00 
1 1 1    3    6    1 o   91.711   1.5204   74.563 -84.9000   0.99  -2.99   0.58   0.84 
1 1 1    3    6    2 o   34.209   2.9839   20.362   90.500  16.38  29.62   4.26  -7.17 
1 1 1    3    6    3 o   39.539   0.6886   38.632   36.100  -3.41   7.06   4.17   6.82 
1 1 1    3    6    4 o   54.133   1.9791   47.260   57.100 -13.15  27.44   6.24   8.61 
1 1 1    3    6    5 o   16.990   1.1278   20.905 -102.8000   0.28  -6.92   1.68   0.18 
1 1 1    3    6    6 o   3.4490   0.4612   14.025 -94.0000  -2.45   0.14  -1.81   0.24 
1 1 1    3    6    7 o   71.324   2.1186   64.109 -42.0000  -2.37 -37.00  20.09  -4.12 
1 1 1    3    6    8 o   68.741   1.3496   72.049   23.500   2.25   8.29   6.28  -5.58 
1 1 1    3    6    9 f   27.564   0.3976   23.307 -59.8000  -1.59  -2.59   0.92  -1.47 
1 1 1    3    6   10 o   18.279   3.6883   23.179  130.400  12.46  57.22  12.37  -5.89 
1 1 1    3    6   11 o   58.722   1.7661   55.204  178.800 -12.70   2.69  -3.08   1.85 
1 1 1    3    6   12 o   30.292   2.1083   28.394   42.500   5.47  24.77   6.11  -2.45 
1 1 1    3    6   13 o   39.828   2.8690   34.901 -114.2000 -26.38 -27.10   0.61  -7.70 
1 1 1    3    6   14 o   41.608   0.7177   52.222 -45.2000   1.82  -1.61  -0.27   0.68 
1 1 1    3    6   15 o   52.540   0.4015   38.427 -16.9000   0.45  -1.02   0.51   0.27 
1 1 1    3    6   16 o   47.082   1.0139   45.707 -102.7000   3.11  -6.85   2.09   1.95 
1 1 1    3    6   17 o   40.127   0.2071   47.631   34.900  -0.63   0.90   0.09   0.62 
1 1 1    3    6   18 o   51.313   0.2524   54.278 -53.3000   0.62  -0.05  -0.39  -0.04 
1 1 1    3    6   19 o   35.106   0.6712   21.805   30.500   2.79   0.47  -0.83  -0.24 
1 1 1    3    6   20 f   36.255   0.4127   39.928   8.8000   1.64   0.22  -0.87  -0.14 
1 1 1    3    6   21 o   66.397   0.6603   67.869 -172.9000  -2.72   0.94  -0.76   0.95 
1 1 1    3    6   22 o   8.4703   2.4166   11.680   98.500   7.17  14.11   2.04  -2.75 
1 1 1    3    6   23 o   34.905   0.3941   40.813  142.300  -1.67  -3.61   1.64  -1.66 
1 1 1    3    6   24 o  100.483   1.1901   79.889 -131.4000   3.36 -15.21   4.59   3.00 
1 1 1    3    6   25 o   38.448   0.2535   36.631 -163.6000  -0.11  -0.23   0.44   0.78 
1 1 1    3    6   26 o   49.913   2.3215   48.047 -45.2000  23.63 -41.16   7.93  12.50 
1 1 1    3    6   27 o   36.728   2.1092   38.898   74.800   8.17  40.54   9.65  -4.35 
1 1 1    3    6   28 o   17.140   0.2211   17.352  129.700   3.61   2.29  -3.62 -13.50 
1 1 1    3    6   29 o   47.216   1.3826   41.727  138.800   2.30  27.43   8.69  -0.87 
1 1 1    3    6   30 o   5.3481   0.6041   5.8326 -131.4000  -1.29  -1.38   0.09  -0.68 
1 1 1    3    6   31 o   6.7325   0.4697   9.9144   79.600  -0.18   1.12   0.61   0.31 
1 1 1    3    6   32 o   12.618   0.6323   11.873   39.900   0.85   4.69   1.32  -0.64 
1 1 1    3    6   33 o   27.535   1.5779   26.677 -128.1000  10.55 -30.91   7.85   7.17 
1 1 1    3    6   34 f   5.8443   0.8936   7.7693 -46.5000  -0.47  -0.43  -0.00  -0.03 
1 1 1    3    6   35 o   11.947   0.6341   3.8410   87.700   2.65   2.14  -0.03  -0.83 
1 1 1    3    6   36 o   19.182   0.2287   18.372  -0.8000   0.36  -0.06  -0.10  -0.04 
1 1 1    3    6   37 o   13.451   0.6715   17.515   9.8000   2.40  -4.17   0.84   1.03 
1 1 1    3    6   38 o   11.962   0.4998   11.172 -135.7000   0.20  -5.38   2.45   0.67 
1 1 1    3    6   39 o   10.038   1.3974   10.608  150.300  -3.46   8.51   1.66   1.29 
1 1 1    3    6   40 o   9.5220   0.4345   6.4355 -120.1000  -0.65   0.85  -0.14   0.51 
1 1 1    3    7    0 o   85.869   0.6381   76.279 -90.1000  -0.00  -0.54   0.00   0.00 
1 1 1    3    7    1 f   81.895   2.5666   80.156 -50.0000  24.10 -12.48  -4.99   5.98 
1 1 1    3    7    2 o   13.263   3.0925   26.241  179.800 -71.69  -3.77 -24.52  -2.77 
1 1 1    3    7    3 o  109.375   1.2271  115.099  -2.7000   1.05   0.66  -0.71   0.07 
1 1 1    3    7    4 f   79.884   4.0237   73.297 -60.0000  13.45 -66.34  16.93   6.30 
1 1 1    3    7    5 o   7.9766   2.1263   17.967 -82.8000  25.67   5.19  -5.63  -2.32 
1 1 1    3    7    6 f   66.555   0.4846   62.580  166.000  -6.50 -14.21  14.20 -12.02 
1 1 1    3    7    7 o   64.441   2.7401   49.678 -71.2000  15.62 -12.05  -1.01   5.16 
1 1 1    3    7    8 o   95.195   1.9238   68.326 -60.7000   2.81  -8.22   2.56   0.97 
1 1 1    3    7    9 o  106.393   1.5078  104.207 -56.2000  20.28   0.65  -6.49  -2.01 
1 1 1    3    7   10 o   15.424   1.1876   20.521 -164.4000  -6.41  10.82   3.74   6.15 
1 1 1    3    7   11 o   39.641   1.5835   55.255 -104.1000 -29.71 -10.45 -10.83 -10.38 
1 1 1    3    7   12 o   41.310   0.8615   47.900  123.100  -6.23  -1.58  -1.22  -0.91 
1 1 1    3    7   13 o   8.3781   1.4796   10.096 -106.4000 -16.54  -6.24  -5.21  -4.80 
1 1 1    3    7   14 f   49.615   1.3338   52.315 -67.6000 -20.06  -9.56  -9.90 -10.35 
1 1 1    3    7   15 o   42.080   1.2050   49.025 -60.2000  -7.09  -9.64   1.07  -4.61 
1 1 1    3    7   16 o   33.912   1.4991   21.749   40.000  -2.18  21.25   7.11   1.70 
1 1 1    3    7   17 o   88.972   0.6371   83.847 -163.5000  -0.16   1.01   0.10   0.06 
1 1 1    3    7   18 o   76.762   1.5229   75.800 -179.2000 -10.86   6.60  -1.94   4.55 
1 1 1    3    7   19 o   94.063   0.3972  101.895 -61.9000   0.82   0.34  -0.15  -0.51 
1 1 1    3    7   20 o   64.223   0.4020   62.352  163.800  -1.50  -1.32   0.01  -0.53 
1 1 1    3    7   21 o   21.050   0.1787   5.5551 -16.7000   0.60   0.13  -1.87  -2.74 
1 1 1    3    7   22 o   44.343   0.7131   37.836   77.600  12.91   6.39  -8.66 -13.17 
1 1 1    3    7   23 o   47.677   0.2461   54.731 -73.0000  -6.05  -1.15 -10.75  -2.48 
1 1 1    3    7   24 o   57.577   2.3334   59.920 -105.6000  19.37 -28.97   3.54   9.86 
1 1 1    3    7   25 o   34.128   1.1568   22.424   95.200   4.07   4.46  -0.02  -2.28 
1 1 1    3    7   26 o   22.783   0.2080   24.263   44.300  -3.03   2.74  -2.78  10.42 
1 1 1    3    7   27 o   25.752   1.6083   27.287 -133.3000 -28.52   1.53  -9.23   1.29 
1 1 1    3    7   28 o   19.089   1.7326   17.270  114.800  11.51  43.17   8.96  -4.94 
1 1 1    3    7   29 o   16.478   1.3020   20.739  -1.1000  24.02  -9.43  -7.77   7.76 
1 1 1    3    7   30 o   41.590   0.2385   46.634 -171.2000  -1.28   1.55   2.07   1.71 
1 1 1    3    7   31 o   54.800   0.4730   46.723 -84.5000  10.74  -2.53 -20.09  -2.86 
1 1 1    3    7   32 f   56.192   0.6150   43.183  150.400  -3.03  -0.65   1.57  -5.87 
1 1 1    3    7   33 o   2.6943   0.8857   7.5146   23.200   0.04   0.03  -0.06  -0.00 
1 1 1    3    7   34 o   31.382   0.6034   32.003   3.4000   4.99  -5.24   0.39   1.72 
1 1 1    3    7   35 o   15.302   1.4161   14.722 -153.9000 -18.58  -7.02  -3.60  -3.81 
1 1 1    3    7   36 o   9.0902   0.5772   4.5253  121.000  -3.76   1.93  -0.75   1.45 
1 1 1    3    7   37 f   0.5689   1.0104   4.3505  128.700   0.58   0.56   0.01  -0.15 
1 1 1    3    7   38 o   8.7853   0.7555   9.0230   53.500   2.87   3.04  -0.07  -0.98 
1 1 1    3    7   39 o   7.7208   0.4102   7.5301  154.500   0.92   0.82  -1.86  -1.57 
1 1 1    3    7   40 o   10.797   0.4440   14.075   77.200  -0.37   1.20  -0.20   1.37 
1 1 1    3    8    0 o   93.771   0.6308  139.840 -90.1000  -0.00  -0.49   0.00   0.00 
1 1 1    3    8    1 o   43.155   1.7959   41.895 -69.2000  12.15  -8.97  -1.20   3.35 
1 1 1    3    8    2 o   66.841   2.0778   80.974 -98.3000 -17.35 -18.27   0.89  -7.73 
1 1 1    3    8    3 o   23.288   1.6690   39.744 -30.1000   9.94  -4.15  -1.53   1.47 
1 1 1    3    8    4 o   29.318   0.5943   17.274 -98.6000   1.61  -3.51   1.61   1.56 
1 1 1    3    8    5 f   9.6164   2.2672   15.339  109.200  14.47  43.66  11.96  -9.11 
1 1 1    3    8    6 o   99.223   3.1049  101.801 -81.0000 -19.38 -28.51   4.26 -15.85 
1 1 1    3    8    7 o   83.044   1.4385   67.392 -11.8000   8.01 -18.39  13.58   8.57 
1 1 1    3    8    8 o   60.277   2.1765   59.694 -53.1000   2.95 -19.14   5.89   1.15 
1 1 1    3    8    9 o   6.5047   1.1492   24.581 -69.8000  -6.12   8.35   1.66   4.83 
1 1 1    3    8   10 o   50.917   2.6117   41.980 -19.5000  14.14 -47.39  20.42  10.85 
1 1 1    3    8   11 o   12.273   1.3357   23.598  138.800 -10.93   4.55  -2.59   2.43 
1 1 1    3    8   12 o   52.451   0.7289   45.249  -4.2000   2.10   9.06   9.51  -1.24 
1 1 1    3    8   13 o   33.989   2.2944   27.109 -47.4000  27.11 -22.18  -1.58   9.11 
1 1 1    3    8   14 o   53.189   1.0344   45.420 -98.2000  -0.57  -3.24   0.58  -0.13 
1 1 1    3    8   15 o   18.780   0.7272   27.419  174.100  -6.91  -7.64   0.59  -9.94 
1 1 1    3    8   16 o   45.990   1.0142   43.016  159.800  -7.12  -5.40  -0.63  -2.97 
1 1 1    3    8   17 o   78.238   0.4727   73.429 -16.1000   2.43   3.92   2.12  -2.85 
1 1 1    3    8   18 o   67.798   1.4735   70.679 -23.1000  12.30   6.12  -2.64  -3.95 
1 1 1    3    8   19 o   30.041   1.0135   30.278  104.600   7.87   7.75  -0.29  -5.66 
1 1 1    3    8   20 o   38.781   0.5656   50.971   64.100   1.31   1.35  -0.16  -1.05 
1 1 1    3    8   21 o   34.368   0.2989   34.974  159.100  -0.39  -3.03   4.26  -2.18 
1 1 1    3    8   22 o   45.209   0.4484   44.563  136.900  -2.61   0.82  -0.49   0.40 
1 1 1    3    8   23 o   54.392   1.3162   50.362   9.0000   5.70   9.55   1.80  -2.80 
1 1 1    3    8   24 o   71.928   0.3539   69.387  178.900  -0.85  -2.50   1.29  -0.33 
1 1 1    3    8   25 o   23.380   0.6589   24.494  147.900  -2.02   1.24  -0.37   0.59 
1 1 1    3    8   26 f   26.149   2.2122   24.647   81.500  37.46  51.69   5.95 -19.19 
1 1 1    3    8   27 o   32.361   0.5518   34.571  -6.3000   0.90  -7.27   6.30   2.54 
1 1 1    3    8   28 o   51.053   1.2517   56.969 -179.0000 -23.03  21.80   0.84  18.98 
1 1 1    3    8   29 o   11.610   0.9397   23.451  155.700   2.27   8.97   3.06  -1.48 
1 1 1    3    8   30 o   15.845   1.0384   8.0575  141.500  -7.23  -5.33  -0.44  -1.71 
1 1 1    3    8   31 o   25.193   0.6083   21.801 -109.1000  -0.89  -2.22   0.13  -0.15 
1 1 1    3    8   32 o   40.156   0.2464   35.288  130.600   0.12  -0.34  -0.35  -0.23 
1 1 1    3    8   33 o   13.161   0.2796   21.168 -172.2000  -1.13  -1.01  21.48  -2.64 
1 1 1    3    8   34 o   16.261   0.3473   13.028   40.400  -0.32   1.30   0.33   0.30 
1 1 1    3    8   35 o   7.0522   0.8020   5.8192 -90.3000   1.44  -4.20   0.93   0.59 
1 1 1    3    8   36 o   25.078   0.2204   22.150   51.100   0.41  -0.40   0.47   0.10 
1 1 1    3    8   37 o   10.404   0.3628   15.254   48.200   0.43  -0.07   0.91   0.94 
1 1 1    3    8   38 o   22.555   0.2359   20.610 -162.8000  -0.18   0.61   0.24  -0.06 
1 1 1    3    8   39 o   0.0000   2.4733  ?   ?   -0.15  -0.10   0.42   0.17 
1 1 1    3    8   40 o   9.6635   1.1121   10.856  132.600  -3.00   3.97   0.08   0.83 
1 1 1    3    9    0 o   3.3615   0.3847   12.416 -88.5000   0.00   0.02   0.00   0.00 
1 1 1    3    9    1 o   21.271   3.4083   12.032 -25.3000  91.81   8.22 -28.86  -5.51 
1 1 1    3    9    2 o   37.584   2.7243   45.894 -154.8000  -8.34 -46.84  15.19  -5.15 
1 1 1    3    9    3 f   22.883   0.4199   30.822 -65.1000  -2.19  -1.97  -0.46  -2.28 
1 1 1    3    9    4 o   95.405   0.9815   90.559  -4.9000   4.53   5.18   2.21  -3.30 
1 1 1    3    9    5 o   45.561   2.2687   47.276   97.700  18.56  22.36   1.15 -10.14 
1 1 1    3    9    6 o   11.495   3.8317   18.642  175.100 -42.61 -28.65  -2.42  -6.13 
1 1 1    3    9    7 o   23.488   1.5514   22.321  165.200 -11.86   5.94  -2.12   2.58 
1 1 1    3    9    8 o   33.470   0.5145   46.424   15.800   0.77   6.26   5.21  -0.37 
1 1 1    3    9    9 o   46.222   1.5062   58.559 -115.4000  -8.77  -2.46  -3.18  -1.25 
1 1 1    3    9   10 o   24.603   0.1993   24.610 -41.8000   1.53  -0.29  -0.94   0.09 
1 1 1    3    9   11 o   14.869   0.6779   35.185  114.300   7.15   0.24  -6.84   0.21 
1 1 1    3    9   12 o   32.561   0.2011   50.378 -81.2000   4.16   0.73  -4.55  -2.58 
1 1 1    3    9   13 o   51.715   0.2356   42.094  105.900  -1.22   0.00  -2.55  -2.91 
1 1 1    3    9   14 o  107.658   0.4683   95.028 -168.0000  -0.96   1.42   2.25   0.78 
1 1 1    3    9   15 o   15.229   3.1530   5.8382  109.300  35.64  48.78   4.89 -14.97 
1 1 1    3    9   16 f   69.114   0.3028   75.726   47.000  -0.21  -0.06   0.14   1.07 
1 1 1    3    9   17 o   73.679   1.3873   74.267   34.500   1.43   7.43   2.03  -1.01 
1 1 1    3    9   18 o   44.769   1.5075   39.451 -85.2000  22.33 -10.65  -5.47   6.34 
1 1 1    3    9   19 o   32.606   1.5966   9.5198   45.600  14.89  16.96   0.86  -8.05 
1 1 1    3    9   20 f   27.734   0.9214   19.472   88.500  -5.68   2.48  -1.76   1.68 
1 1 1    3    9   21 o   62.153   1.1019   53.900   55.800  18.56 -10.85  -4.59   9.44 
1 1 1    3    9   22 o   48.847   1.6388   44.761  112.600  17.49  29.13   5.22  -9.18 
1 1 1    3    9   23 f   41.067   0.9679   15.989 -112.5000  -2.51  -0.37  -0.54  -0.10 
1 1 1    3    9   24 f   36.674   1.6077   60.389 -123.0000   2.85 -13.23   3.14   1.66 
1 1 1    3    9   25 o   24.735   0.4056   18.900   60.100   1.79  -0.23  -0.65   0.10 
1 1 1    3    9   26 o   35.123   0.7126   31.116 -171.8000  -5.80  -2.58  -0.76  -0.74 
1 1 1    3    9   27 o   31.040   0.5039   28.450 -138.8000 -10.04   4.62  -3.88   5.53 
1 1 1    3    9   28 o   21.289   0.2814   29.184  102.500  -2.50   0.89  -4.20   1.68 
1 1 1    3    9   29 o   49.767   1.4027   56.048  106.000 -22.27  10.75  -7.72   7.32 
1 1 1    3    9   30 f   6.3396   0.8170   13.565  179.700  -1.68   3.09   0.46   0.63 
1 1 1    3    9   31 f   33.511   1.1182   48.576 -128.7000 -41.08   3.64 -18.56   5.22 
1 1 1    3    9   32 o   41.067   0.8674   44.367  179.600  -5.10   2.52  -2.80   1.52 
1 1 1    3    9   33 o   12.814   0.9236   14.095   93.600   8.81  13.22   1.59  -4.59 
1 1 1    3    9   34 o   22.365   0.5019   22.263   32.400   6.09 -10.59   5.19   5.21 
1 1 1    3    9   35 f   16.173   0.4381   19.447   81.300  -2.51   2.68  -0.94   3.11 
1 1 1    3    9   36 o   9.5081   0.3886   14.530  166.900  -1.27   0.02  -0.35   0.11 
1 1 1    3    9   37 o   9.2168   1.9509   7.6413   1.7000  21.52   7.63  -4.44  -4.06 
1 1 1    3    9   38 f   4.3354   0.7573   0.6046  127.500  -0.47  -0.18  -0.05  -0.46 
1 1 1    3    9   39 f   14.772   0.3400   10.886 -138.9000  -0.03  -0.79   0.02   1.16 
1 1 1    3    9   40 f   16.860   0.3185   16.231 -150.8000   0.01  -0.08  -0.00  -0.01 
1 1 1    3   10    0 o   56.023   0.3459   59.657 -89.7000  -0.00  -0.80   0.00   0.00 
1 1 1    3   10    1 o   52.742   0.8302   59.514   34.400   0.97   7.00   4.12  -0.20 
1 1 1    3   10    2 o   31.114   1.4110   31.871   64.900  -1.08   9.18   2.69   0.88 
1 1 1    3   10    3 o   32.214   0.7467   36.354 -172.4000  -7.06   3.84  -1.65   3.30 
1 1 1    3   10    4 o   25.386   1.2320   5.8544 -116.4000  -8.95  -1.87  -2.77  -1.45 
1 1 1    3   10    5 o   27.086   1.4097   17.299 -52.2000  -9.18 -11.71   1.84  -5.82 
1 1 1    3   10    6 o   24.577   0.4255   26.199 -161.5000  -1.27   2.11   1.88   2.10 
1 1 1    3   10    7 o   9.8995   2.9538   14.220 -28.7000   9.29 -36.68   5.92   3.10 
1 1 1    3   10    8 o   34.142   2.5883   24.772 -150.1000  -8.47 -55.39  16.56  -4.35 
1 1 1    3   10    9 o   49.630   3.5687   66.358 -55.7000  79.27 -41.18 -14.69  18.78 
1 1 1    3   10   10 o   33.375   0.5619   26.886 -39.0000  -1.55  -2.35   0.32  -0.49 
1 1 1    3   10   11 o   32.424   1.2081   16.811 -155.9000 -12.16  -8.11  -1.59  -4.38 
1 1 1    3   10   12 o   10.117   1.3649   12.692 -80.7000  12.50 -19.07   4.07   9.74 
1 1 1    3   10   13 o   56.859   1.2327   55.719  122.000  -4.57   3.07  -0.29   0.60 
1 1 1    3   10   14 o   46.999   0.5145   47.216 -67.2000   2.51  -0.47  -0.71   0.18 
1 1 1    3   10   15 f   38.961   1.0428   47.512   76.600  -7.66   4.64  -1.51   3.22 
1 1 1    3   10   16 o   65.881   0.2922   71.168  160.100  -0.62   0.01  -0.20  -0.05 
1 1 1    3   10   17 o   86.190   0.4577   75.090 -21.1000   0.15  -1.90   0.60   0.26 
1 1 1    3   10   18 o   38.221   2.1832   38.367  105.500 -13.10  35.62   8.03   7.10 
1 1 1    3   10   19 o   33.184   1.6114   49.402 -153.1000 -11.28 -12.06   0.50  -4.73 
1 1 1    3   10   20 o   34.427   1.0191   53.402 -173.0000 -19.27 -30.34  10.98 -21.79 
1 1 1    3   10   21 o   63.372   0.6424   58.432 -129.5000  -0.88  -3.74   0.92  -0.60 
1 1 1    3   10   22 o   53.846   0.2796   50.215   43.900   2.23  -1.90  -0.99   2.24 
1 1 1    3   10   23 o   72.167   0.3855   66.399 -41.7000   1.77   0.40  -0.52  -3.28 
1 1 1    3   10   24 o   35.370   2.3071   39.204 -119.3000  -3.76 -79.30  27.22  -3.18 
1 1 1    3   10   25 o   58.674   1.0288   50.923  116.000 -11.71   3.16  -4.64   2.07 
1 1 1    3   10   26 o   21.763   0.9556   19.794  169.400  -8.68  -0.91  -1.98  -0.51 
1 1 1    3   10   27 o   40.631   1.0411   43.578 -50.6000   3.96 -11.95   3.36   3.03 
1 1 1    3   10   28 o   12.538   0.4515   8.6111 -23.6000   2.07   1.60  -0.20  -1.28 
1 1 1    3   10   29 o   7.3869   0.8189   11.447   13.600   2.28  -7.99   3.10   1.74 
1 1 1    3   10   30 o   9.3390   0.7068   13.812  -1.4000   3.10  -6.94   2.24   2.18 
1 1 1    3   10   31 o   13.268   0.5066   14.444 -144.6000  -0.05  -7.91   3.92  -0.44 
1 1 1    3   10   32 o   27.407   0.7779   24.786  122.300  -6.82   1.43  -2.42   0.52 
1 1 1    3   10   33 o   17.585   1.8101   25.184   72.800   1.78  34.22   5.18  -0.74 
1 1 1    3   10   34 o   11.666   1.0982   9.2386  116.600  -1.03   8.95   1.85   0.23 
1 1 1    3   10   35 o   8.8043   0.3797   12.700  -2.6000   0.70   2.53   5.41  -0.43 
1 1 1    3   10   36 o   11.942   0.6796   8.2715 -52.0000   6.08  -0.49  -2.43  -0.06 
1 1 1    3   10   37 o   8.9429   0.4239   8.7948   23.200   0.46   0.49   1.34  -0.54 
1 1 1    3   10   38 o   13.554   0.3280   9.7209 -118.3000   0.28   0.31   0.21  -0.07 
1 1 1    3   10   39 o   10.379   0.7725   11.004 -47.8000  -0.89  -3.76   1.58  -0.16 
1 1 1    3   11    0 o   26.388   0.2068   23.172 -89.0000   0.00   0.31   0.00   0.00 
1 1 1    3   11    1 o   12.715   0.6173   17.655   50.000   6.29  -1.06  -6.69   1.75 
1 1 1    3   11    2 o   38.207   2.6089   43.504 -172.6000 -50.74  16.59 -13.67  10.97 
1 1 1    3   11    3 f   33.576   2.2432   30.117 -55.5000   7.58 -17.27   2.46   2.42 
1 1 1    3   11    4 o   21.380   0.6126   30.187 -79.9000  18.02   4.02 -40.78 -27.66 
1 1 1    3   11    5 o   15.906   0.9571   14.781 -154.4000  -4.02  -3.15  -0.24  -1.38 
1 1 1    3   11    6 o   18.640   1.7682   13.339  106.800  -5.44   5.46  -0.04   0.99 
1 1 1    3   11    7 o   54.199   0.5327   48.134 -19.0000   2.39   1.59   0.32  -2.16 
1 1 1    3   11    8 o   35.238   0.3384   22.321   38.800  -3.13   2.06   0.57   7.36 
1 1 1    3   11    9 o   24.447   2.2728   24.388 -169.0000 -33.69  -8.28  -8.62  -4.28 
1 1 1    3   11   10 o   31.066   0.3974   30.127 -169.9000  -2.17  -2.59   1.00  -2.89 
1 1 1    3   11   11 o   28.903   0.2411   28.456 -132.8000  -0.91  -1.18   0.45  -0.94 
1 1 1    3   11   12 o   75.547   0.3208   66.710   41.000   0.97  -0.22  -0.32   2.41 
1 1 1    3   11   13 o   29.780   1.1279   37.810  142.100   1.55  12.56   5.60  -1.65 
1 1 1    3   11   14 o   53.614   3.8919   36.265  134.200 -101.45  -0.46 -29.37  -0.73 
1 1 1    3   11   15 o   29.702   0.3812   28.759 -76.7000  -1.59  -4.20   3.24  -3.33 
1 1 1    3   11   16 o   74.151   1.9804   61.340 -22.7000  25.30 -10.60  -4.22   4.69 
1 1 1    3   11   17 o   33.722   1.2082   28.942   52.700   8.33  10.92   0.96  -3.97 
1 1 1    3   11   18 o   42.160   1.3579   31.825 -178.2000  -7.15   5.07  -0.61   2.18 
1 1 1    3   11   19 o   58.026   1.1127   68.059 -155.7000  -6.06   1.00  -2.03   1.01 
1 1 1    3   11   20 o   36.690   1.4541   34.939  113.400 -41.65   9.90 -15.70   7.50 
1 1 1    3   11   21 o   15.128   1.3765   8.4865   79.600   5.76  -5.57  -0.02   1.75 
1 1 1    3   11   22 o   66.851   0.3356   53.465   81.200  -0.67   0.76  -3.33  -0.38 
1 1 1    3   11   23 o   51.078   0.4410   53.326   86.400   0.26   1.11   0.15  -0.13 
1 1 1    3   11   24 o   72.667   1.6646   67.676 -158.2000 -17.27 -10.89  -2.84  -8.29 
1 1 1    3   11   25 o   40.432   0.4577   39.446  140.500  -0.76   0.75   0.02   0.12 
1 1 1    3   11   26 o   14.572   0.8900   13.237 -67.0000 -18.63 -13.30  -4.24 -11.18 
1 1 1    3   11   27 o   10.220   0.9285   12.444 -159.7000  -6.86  -5.70  -0.42  -2.90 
1 1 1    3   11   28 o   7.9056   0.4543   5.6572   56.000  -3.49   2.87  -1.24   4.10 
1 1 1    3   11   29 o   26.031   1.2403   26.195  131.500 -17.14  16.64  -0.86   7.95 
1 1 1    3   11   30 o   23.340   1.0049   9.7094   27.200  25.19  -7.86 -11.61   6.57 
1 1 1    3   11   31 f   5.9120   0.5192   10.766 -113.2000  -0.14  -0.29  -2.65  -0.87 
1 1 1    3   11   32 o   3.5935   0.8045   4.5974 -38.9000   2.06  -1.11  -0.76   0.89 
1 1 1    3   11   33 o   8.0345   0.5866   5.6520 -127.4000  -1.15  -2.49   0.55  -0.45 
1 1 1    3   11   34 o   14.180   0.8128   19.249   69.700   3.92   5.18   0.50  -1.20 
1 1 1    3   11   35 o   20.635   0.2530   25.775   60.100  -3.42   3.35  -1.14   2.94 
1 1 1    3   11   36 o   19.393   0.6525   18.197  148.000  -6.02   4.34  -0.23   1.74 
1 1 1    3   11   37 o   17.554   1.0567   14.644 -21.2000   6.66   2.04  -0.80  -0.76 
1 1 1    3   11   38 o   13.684   0.4999   11.185  111.500  -1.19   0.25  -0.21   0.01 
1 1 1    3   11   39 o   19.664   0.9650   13.181 -123.4000  -1.96  -8.34   2.24  -0.36 
1 1 1    3   12    0 o   32.499   0.2383   22.689 -88.4000  -0.00  -0.03   0.00   0.00 
1 1 1    3   12    1 o   59.919   1.2447   56.255 -91.6000  -6.30  -5.63  -0.72  -2.13 
1 1 1    3   12    2 o   41.793   0.1972   33.076 -109.8000   1.60  -0.12  -1.50   2.42 
1 1 1    3   12    3 o   15.541   0.3155   22.122 -179.2000   1.22  -4.24   7.26   7.11 
1 1 1    3   12    4 o   45.342   1.8878   57.173 -135.3000  -4.44 -21.95   6.66  -2.03 
1 1 1    3   12    5 o   29.496   0.6750   20.474   14.500   3.32 -10.64   9.95   4.66 
1 1 1    3   12    6 o   62.808   1.2880   67.579 -178.2000 -15.74  13.63  -0.42   9.45 
1 1 1    3   12    7 o   31.618   0.9847   18.613  -6.1000   6.81  -5.43  -0.38   2.23 
1 1 1    3   12    8 o   74.394   0.3109   76.877 -134.3000  -0.65  -0.27   1.11   2.61 
1 1 1    3   12    9 o   52.538   2.2404   51.208 -49.4000  31.58  -8.45  -7.85   4.01 
1 1 1    3   12   10 o   6.4483   0.2538   8.7953   38.500   1.02  -0.41  -1.17   1.25 
1 1 1    3   12   11 o   41.920   1.1647   32.921 -33.0000  10.52   4.08  -3.73  -3.00 
1 1 1    3   12   12 o   65.366   1.7539   79.896 -165.6000 -16.09 -22.37   3.21  -8.03 
1 1 1    3   12   13 o   93.570   0.4698   98.444   41.600  -2.10   3.95   0.75   1.72 
1 1 1    3   12   14 o   56.404   1.8312   43.798 -142.4000  -9.47 -12.95   1.23  -3.41 
1 1 1    3   12   15 o   12.382   2.2721   20.885 -136.2000 -35.19   9.50  -7.96   4.70 
1 1 1    3   12   16 o   15.402   1.9000   20.419 -77.9000  18.78 -21.53   0.99   7.70 
1 1 1    3   12   17 o   44.127   1.0988   54.124 -47.4000   2.48  -4.31   0.53   0.77 
1 1 1    3   12   18 o   37.406   2.7127   31.306 -101.8000  -3.69 -45.50  13.40  -2.58 
1 1 1    3   12   19 o   73.899   1.2631   77.092  140.400 -10.40  14.03   1.10   4.74 
1 1 1    3   12   20 o   52.790   0.8479   45.075  158.200  -0.64  10.06   7.79  -0.05 
1 1 1    3   12   21 o   47.071   0.8453   33.472 -119.6000   0.76  -6.75   3.00   1.07 
1 1 1    3   12   22 o   33.622   0.7978   34.046 -44.2000   5.66   1.56  -1.62  -1.20 
1 1 1    3   12   23 o   10.175   0.5900   21.627 -42.7000   2.76  -3.42   0.30   1.70 
1 1 1    3   12   24 o   30.518   2.9358   26.029 -77.2000  23.56 -104.90  29.06  13.04 
1 1 1    3   12   25 o   23.058   0.9596   10.828   31.300  21.98   5.07  -7.77  -3.41 
1 1 1    3   12   26 o   51.763   0.4707   44.187  168.600  -7.19  -6.32   0.42  -5.88 
1 1 1    3   12   27 o   21.021   1.0440   19.556 -70.0000  10.06  -7.95  -1.14   3.79 
1 1 1    3   12   28 o   23.084   0.2774   17.915 -111.0000   1.08  -1.39  -0.11   1.44 
1 1 1    3   12   29 o   11.982   0.3021   6.6115   9.2000   0.11   0.71   0.46   0.02 
1 1 1    3   12   30 o   17.306   1.5930   12.695 -123.3000 -39.89 -31.77  -4.49 -16.48 
1 1 1    3   12   31 o   11.591   0.3074   13.948 -93.9000  -0.04   0.15   0.01   0.01 
1 1 1    3   12   32 o   15.941   0.9121   18.874 -29.8000   8.11 -13.21   3.29   5.26 
1 1 1    3   12   33 o   18.708   0.8360   23.680   39.800  -0.45   9.40   3.22  -0.34 
1 1 1    3   12   34 o   5.4495   0.5974   5.5497 -116.6000  -0.22   0.80   1.51  -0.30 
1 1 1    3   12   35 f   10.361   0.4786   11.200 -18.3000   1.32   0.02  -0.19   0.04 
1 1 1    3   12   36 o   20.040   0.3635   21.876 -67.7000  -1.54  -2.93   0.31  -1.09 
1 1 1    3   12   37 o   22.700   0.2556   17.866 -20.8000  -0.26  -0.64   0.29   0.47 
1 1 1    3   12   38 o   4.6873   0.8004   6.5829 -71.9000   1.33   0.38  -0.55  -0.10 
1 1 1    3   13    0 o  107.399   0.6221   93.249 -90.1000   0.00   0.78   0.00   0.00 
1 1 1    3   13    1 o   56.016   0.5100   46.981   81.000  -1.26   0.59  -0.25   0.19 
1 1 1    3   13    2 o   37.561   1.8889   20.500 -54.6000  -0.00 -23.28   5.38   0.21 
1 1 1    3   13    3 o   26.482   1.1912   20.006   1.6000   6.45   0.15  -1.23  -0.00 
1 1 1    3   13    4 o   92.174   0.3799   97.389 -74.8000   0.05  -0.86  -2.08  -1.09 
1 1 1    3   13    5 o   60.025   0.8580   57.646  139.700  -1.83   4.39   1.56   1.07 
1 1 1    3   13    6 o   49.797   2.8442   59.333   96.300 -90.08  43.36 -30.77  35.79 
1 1 1    3   13    7 o   6.2108   0.6987   9.2373 -121.4000  -3.40   0.33  -0.91   0.20 
1 1 1    3   13    8 o   47.619   1.3141   44.221   14.600   3.00  16.01   5.52  -2.51 
1 1 1    3   13    9 o   61.791   0.2716   39.551  121.000  -1.12   1.23  -0.18   0.92 
1 1 1    3   13   10 o   86.552   1.9932   63.168 -127.2000 -15.47  -8.08  -3.08  -3.64 
1 1 1    3   13   11 o   57.263   0.2809   67.853 -58.5000   0.22   0.55   0.24  -0.68 
1 1 1    3   13   12 o   33.181   2.6691   21.475   63.100  36.68  29.37  -2.34 -11.14 
1 1 1    3   13   13 o   66.166   2.2250   62.810 -170.2000 -31.25  -9.53  -6.50  -4.07 
1 1 1    3   13   14 o   22.881   0.8947   30.996 -103.6000   7.38  -5.60  -1.20   3.84 
1 1 1    3   13   15 o   36.880   1.4808   30.090  138.500  -8.94  17.99   3.29   4.59 
1 1 1    3   13   16 o   14.866   0.7117   21.855  136.100  -2.83   1.17  -0.54   0.50 
1 1 1    3   13   17 o   55.918   1.3269   62.969 -167.2000  -8.12 -12.20   1.68  -3.32 
1 1 1    3   13   18 o   19.499   0.3256   12.410   40.800   5.77  -0.56  -5.54   0.82 
1 1 1    3   13   19 o   59.172   1.3788   70.082 -112.4000 -17.22  -3.61  -9.72  -3.13 
1 1 1    3   13   20 o   78.179   0.6476   89.752 -34.9000   0.76  -1.92   0.98   0.36 
1 1 1    3   13   21 f   19.116   0.2915   8.4759  159.300  -0.44  -0.09  -0.20  -0.17 
1 1 1    3   13   22 o   17.130   0.3100   25.188 -177.6000  -0.00  -0.64   0.08   0.01 
1 1 1    3   13   23 o   55.654   0.2788   57.638   48.000   0.11   0.30   0.20   0.12 
1 1 1    3   13   24 o   55.135   0.2728   50.724 -114.0000   0.59  -0.60  -1.14   0.64 
1 1 1    3   13   25 o   10.320   0.6196   22.327 -57.0000   8.71  -0.43  -3.95   0.23 
1 1 1    3   13   26 o   50.412   0.6515   48.386 -62.8000  15.20  -0.58  -9.50  -1.23 
1 1 1    3   13   27 f   17.968   0.5352   2.9822  162.500   2.88   1.77  -0.49  -0.75 
1 1 1    3   13   28 o   34.358   0.2159   25.187 -90.1000   4.16   2.61 -16.64  -5.40 
1 1 1    3   13   29 o   14.353   0.3089   13.342 -93.9000   1.54  -2.38   0.70   1.03 
1 1 1    3   13   30 f   5.8943   0.9462   7.6153 -165.1000   3.59   1.42  -0.64  -0.52 
1 1 1    3   13   31 o   18.412   0.5140   19.092   9.6000   2.61  -4.20   0.39   1.19 
1 1 1    3   13   32 o   7.6649   0.4127   5.4155  137.100  -0.07   0.31   0.16  -0.04 
1 1 1    3   13   33 o   3.7943   1.4215   4.7727   95.000   1.13   1.45   0.05  -0.43 
1 1 1    3   13   34 o   3.2168   0.8357   4.3778  147.400   0.65  -0.21  -0.13   0.16 
1 1 1    3   13   35 f   13.905   0.2925   17.138 -164.3000  -0.86   0.45  -0.40   0.16 
1 1 1    3   13   36 o   24.405   0.2670   23.152 -131.7000   0.16  -1.89   0.31   0.25 
1 1 1    3   13   37 f   9.2083   0.4940   5.5664 -39.8000   0.06  -2.64   1.32  -0.51 
1 1 1    3   13   38 o   3.9082   1.7838   10.862  179.200  -0.37   0.03  -0.02  -0.00 
1 1 1    3   14    0 o   13.263   0.2370   10.136 -89.5000  -0.00  -0.10   0.00   0.00 
1 1 1    3   14    1 o   28.866   1.5455   42.081 -67.7000 -19.56 -18.41  -1.11 -11.31 
1 1 1    3   14    2 o   81.643   0.6666   90.124 -134.2000   2.30  -4.14   4.90   2.84 
1 1 1    3   14    3 o   49.490   0.6322   60.538  154.400  -5.02  -6.51   3.31  -7.08 
1 1 1    3   14    4 o   54.810   1.0067   50.048  134.000  -3.43   0.30  -0.99   0.04 
1 1 1    3   14    5 o   36.493   0.4460   28.771   30.700   3.76  -9.71  11.82   8.70 
1 1 1    3   14    6 o   11.979   1.0969   3.4049 -103.5000   7.67 -15.47   6.36   8.05 
1 1 1    3   14    7 o   26.070   2.2386   34.701   64.800  10.69  31.77   6.36  -5.00 
1 1 1    3   14    8 o   42.914   1.9822   53.963 -18.0000   6.45 -41.85  14.36   4.05 
1 1 1    3   14    9 o   13.269   0.3260   13.670  157.200  -3.18   0.32  -3.46   0.86 
1 1 1    3   14   10 o   78.916   1.9322   77.526  129.600   3.60  22.11   8.33  -2.20 
1 1 1    3   14   11 o   22.596   0.7451   17.361  -4.0000  -1.04   6.22   2.81   1.08 
1 1 1    3   14   12 o   41.760   1.8325   36.460   32.100  11.77  20.05   3.66  -6.12 
1 1 1    3   14   13 o   57.309   2.2235   45.022  -8.9000  34.47 -16.27  -6.24   8.09 
1 1 1    3   14   14 o   41.804   0.2093   34.486  164.900   0.10  -0.38   0.22  -2.79 
1 1 1    3   14   15 o   52.556   0.7994   48.169 -167.0000  -8.28  11.92   6.69  12.52 
1 1 1    3   14   16 o   28.187   0.6690   31.964 -170.5000  -0.53  -9.24   3.26  -0.26 
1 1 1    3   14   17 o   73.647   0.6398   63.484 -69.5000   4.25   0.27  -1.38   0.04 
1 1 1    3   14   18 o   22.645   2.4600   15.929 -19.7000   9.78 -36.60   8.58   4.75 
1 1 1    3   14   19 o   55.524   0.3537   35.259  155.600  -0.32   1.17   0.42   0.58 
1 1 1    3   14   20 o   17.198   1.8361   31.014  110.300   6.08  21.58   6.96  -4.55 
1 1 1    3   14   21 o   46.565   1.5616   33.402 -74.7000  11.61 -21.37   2.83   4.85 
1 1 1    3   14   22 o   14.791   0.9871   18.321 -56.1000   8.71  -8.31  -0.22   3.19 
1 1 1    3   14   23 o   33.113   0.4192   17.379   33.600   4.44   1.58  -1.26  -1.32 
1 1 1    3   14   24 f   22.670   0.3580   13.383   25.600   6.52  -0.57  -2.51   0.25 
1 1 1    3   14   25 o   45.210   0.7686   43.592 -58.2000   3.23  -4.95   1.14   1.57 
1 1 1    3   14   26 o   19.404   1.6431   19.058  107.200  -6.50  43.53  13.32   3.56 
1 1 1    3   14   27 o   12.332   0.4289   5.8643 -10.1000  -0.91  -2.14   0.49  -0.39 
1 1 1    3   14   28 o   7.3462   0.9112   5.4633   73.500   3.02  10.86   4.87  -3.40 
1 1 1    3   14   29 o   8.5514   0.6395   5.0206 -150.7000  -1.59  -2.96   0.58  -0.70 
1 1 1    3   14   30 o   10.279   0.3404   4.0252  138.100  -0.05  -0.11  -0.27   0.03 
1 1 1    3   14   31 o   20.544   0.6142   27.026 -41.5000   2.45  -1.86  -0.40   0.59 
1 1 1    3   14   32 o   9.6810   0.8269   8.4308 -21.1000   6.78  -2.99  -1.68   2.42 
1 1 1    3   14   33 o   8.2244   0.4546   7.7851   55.700   0.49   0.55   0.23  -0.31 
1 1 1    3   14   34 o   6.3489   0.9690   4.8144 -121.5000  -0.17  -7.30   2.35   0.17 
1 1 1    3   14   35 o   6.8191   0.6531   10.582 -44.3000   2.14  -2.77   0.82   1.54 
1 1 1    3   14   36 o   9.6197   1.2560   9.8688   10.800   7.58   9.54   0.99  -2.78 
1 1 1    3   14   37 o   17.166   1.4419   10.948 -49.7000   4.33 -15.20   1.64   1.40 
1 1 1    3   15    0 o   66.040   0.3951   55.916 -89.3000   0.00   0.45   0.00   0.00 
1 1 1    3   15    1 o   33.058   1.3635   22.385   20.800  16.82   3.88  -3.99  -1.79 
1 1 1    3   15    2 o   43.965   2.7908   38.121  -6.3000  50.01  28.78  -7.97 -12.98 
1 1 1    3   15    3 o   26.037   1.3916   17.119 -73.3000  10.34  -4.89  -1.51   1.74 
1 1 1    3   15    4 o   41.752   0.9534   38.085  154.100  -7.70  -4.96  -1.71  -3.15 
1 1 1    3   15    5 o   31.742   1.7493   24.759 -140.2000 -16.35   1.69  -3.20   0.76 
1 1 1    3   15    6 o   7.1787   1.5990   23.266   56.000 -14.20  10.22  -1.83   5.36 
1 1 1    3   15    7 o   31.151   1.3636   41.767  167.200 -14.29  -9.04  -2.26  -4.51 
1 1 1    3   15    8 o   46.491   1.2236   47.526  145.000  -7.58  15.89   4.01   4.58 
1 1 1    3   15    9 o   35.768   2.4034   37.183  163.500 -37.25  14.43  -8.49   7.48 
1 1 1    3   15   10 f   25.265   1.0922   18.162 -138.2000  -7.18  -6.50  -0.31  -2.47 
1 1 1    3   15   11 o   87.929   1.8294   76.143 -58.1000  -5.37 -19.53   5.05  -2.50 
1 1 1    3   15   12 f   50.643   1.3271   51.217   94.800 -21.58  11.56  -6.73   9.16 
1 1 1    3   15   13 o   59.244   1.5293   60.237 -71.8000  23.96  -1.36 -19.79   0.02 
1 1 1    3   15   14 o   0.0000   1.9685  ?   ?   -0.18   0.11  -0.04   0.13 
1 1 1    3   15   15 o   27.406   1.5454   26.456  123.500 -45.41  19.22 -13.27  13.27 
1 1 1    3   15   16 o   46.644   1.0888   49.282  169.600  -5.20   4.80  -0.03   0.75 
1 1 1    3   15   17 o   30.469   1.3455   42.220   8.4000   2.41   5.32   0.43  -0.53 
1 1 1    3   15   18 f   52.871   1.7552   35.648   46.100  17.39   7.81  -4.21  -5.51 
1 1 1    3   15   19 o   12.393   0.8505   22.651 -78.7000  -3.94  -2.49  -0.82  -1.53 
1 1 1    3   15   20 o   3.8697   0.7986   15.702 -61.9000   2.58  -1.19  -1.15   1.23 
1 1 1    3   15   21 o   20.417   0.7595   25.736   79.100  13.74  -0.16  -9.78   0.69 
1 1 1    3   15   22 o   16.744   0.2203   21.199  131.500  -0.09   0.07   0.73  -0.32 
1 1 1    3   15   23 o   12.560   0.6481   18.435   41.500  10.92  -7.01  -3.37   8.38 
1 1 1    3   15   24 o   33.821   0.2225   21.632  165.400   0.48   1.48   1.10  -0.19 
1 1 1    3   15   25 o   13.304   0.2593   5.9897 -140.0000  -0.40  -0.12   1.80   5.81 
1 1 1    3   15   26 o   17.205   0.3617   13.822   30.200   2.78  -1.30  -0.81   0.74 
1 1 1    3   15   27 o   39.847   0.3926   29.368  121.200   0.27   1.41   0.32  -0.49 
1 1 1    3   15   28 o   20.969   0.5740   15.828 -179.5000  -3.74  -3.71   0.33  -1.98 
1 1 1    3   15   29 f   8.9784   0.4299   8.5689 -105.0000   0.87  -3.68   2.36   0.72 
1 1 1    3   15   30 o   9.1964   0.3804   6.8242   23.000   0.49   0.79   0.63  -0.51 
1 1 1    3   15   31 o   15.365   0.2593   17.597 -59.0000  -0.20  -0.42  -0.15  -0.27 
1 1 1    3   15   32 o   11.682   0.3007   14.345 -172.1000  -0.42  -0.69  -0.18  -0.75 
1 1 1    3   15   33 o   22.379   0.5870   23.289   74.300   4.79   3.87  -1.50  -2.37 
1 1 1    3   15   34 o   7.1217   0.5182   5.4076   56.000   1.70   0.63  -0.94  -0.35 
1 1 1    3   15   35 o   22.241   0.3392   20.102 -138.9000  -1.22  -0.08  -0.31   0.25 
1 1 1    3   15   36 f   9.2768   0.4780   12.048 -92.9000   1.63  -0.15  -0.40   0.27 
1 1 1    3   15   37 o   2.4268   1.2732   1.6722 -139.4000  -0.47  -0.90  -0.03  -0.61 
1 1 1    3   16    0 o   25.925   0.2218   37.780 -89.9000   0.00   0.02   0.00   0.00 
1 1 1    3   16    1 o   36.298   0.6555   40.581 -87.0000   8.24   0.61  -5.59  -1.19 
1 1 1    3   16    2 o   35.266   2.0916   37.398 -55.3000  14.23 -29.91   5.74   6.81 
1 1 1    3   16    3 o   34.438   1.1600   25.033  100.300   0.45  14.61   6.14  -0.59 
1 1 1    3   16    4 o   5.4635   0.8036   22.432   64.400   5.91  -4.73  -1.17   4.89 
1 1 1    3   16    5 o   14.897   0.5017   12.104  113.500   2.88   6.98   4.22  -3.97 
1 1 1    3   16    6 o   10.638   0.2303   17.582   3.6000  -0.05   0.73   0.39   0.07 
1 1 1    3   16    7 o   76.176   0.8472   64.365 -74.5000  -6.38  -5.97   0.13  -2.92 
1 1 1    3   16    8 o   60.492   0.2697   50.327  -6.6000  -0.95   1.33   1.29   1.52 
1 1 1    3   16    9 o   26.987   0.1723   10.023 -43.8000  -0.14  -0.66   5.09   0.99 
1 1 1    3   16   10 o   40.756   0.8343   49.993 -176.4000   1.36 -11.04   9.37   3.12 
1 1 1    3   16   11 f   49.969   1.2135   58.459 -15.4000   7.14   6.46  -0.03  -2.75 
1 1 1    3   16   12 o   26.655   0.2436   33.389 -47.5000   2.48   0.36  -1.33  -0.22 
1 1 1    3   16   13 o   52.388   1.8382   48.271   24.100  44.54 -27.40  -5.62  11.87 
1 1 1    3   16   14 o   14.780   1.0607   16.543 -147.2000   6.31 -22.45   7.37   4.37 
1 1 1    3   16   15 o   13.181   1.9103   17.919 -119.5000  12.71 -28.28   7.44   8.62 
1 1 1    3   16   16 o   51.582   0.3448   51.767 -108.9000  -0.93  -0.39  -0.23  -1.25 
1 1 1    3   16   17 o   47.508   1.0869   30.154 -20.7000  -2.85 -17.49   6.10  -2.72 
1 1 1    3   16   18 f   30.025   1.0805   21.125 -83.3000 -12.11  -7.12  -2.96  -4.56 
1 1 1    3   16   19 o   27.784   0.2043   18.867   63.800   0.59  -0.13  -0.54   0.62 
1 1 1    3   16   20 o   47.449   0.2490   36.290   56.200  -0.46   0.21  -0.80  -0.64 
1 1 1    3   16   21 o   25.926   1.2749   22.303 -15.2000  17.32   7.33  -3.81  -3.60 
1 1 1    3   16   22 o   26.785   0.1988   20.459 -75.4000   0.67   0.07  -1.32   0.74 
1 1 1    3   16   23 o   21.924   0.2119   19.334 -32.1000   0.30  -0.17  -0.09   0.06 
1 1 1    3   16   24 o   17.100   0.4815   8.1273   80.600  -1.97   3.61   0.39   0.74 
1 1 1    3   16   25 o   11.056   1.2202   10.459   2.5000  12.64  11.35  -0.29  -3.84 
1 1 1    3   16   26 f   10.115   0.8539   13.606 -91.5000   3.90  -6.94   1.64   2.29 
1 1 1    3   16   27 o   6.1335   0.5238   3.8842   2.0000   1.32  -1.07  -0.01   1.05 
1 1 1    3   16   28 f   4.9026   1.3948   2.9375 -125.3000   2.16  -2.08   0.01   0.40 
1 1 1    3   16   29 o   16.449   0.2395   12.632  116.100   1.10  -0.00  -0.35   0.13 
1 1 1    3   16   30 o   12.493   0.5464   14.765 -19.6000   4.22   0.21  -1.14  -0.37 
1 1 1    3   16   31 o   17.439   0.3213   12.775 -43.6000   4.09  -0.44  -3.60  -0.81 
1 1 1    3   16   32 o   4.6307   0.6922   5.2610 -146.5000  -0.12   0.06   0.06   0.07 
1 1 1    3   16   33 o   12.592   0.3106   14.968  152.100  -0.34   0.18  -0.13   0.02 
1 1 1    3   16   34 o   13.320   0.6032   7.9343 -62.7000  -2.20  -9.03   3.20  -1.02 
1 1 1    3   16   35 f   5.7062   1.2142   3.3565 -52.3000   3.88  -2.39  -0.33   1.08 
1 1 1    3   16   36 o   7.9582   0.5249   8.4939  103.500   0.52   0.80   0.49  -0.12 
1 1 1    3   17    0 o   25.167   0.2401   50.585 -89.9000  -0.00  -0.15   0.00   0.00 
1 1 1    3   17    1 o   25.443   0.1740   19.565 -63.5000  -0.83   0.95  -3.05   9.72 
1 1 1    3   17    2 f   71.125   1.8956   66.452 -11.5000  22.53   4.73  -3.95  -1.97 
1 1 1    3   17    3 o   42.649   0.4993   54.076   82.200   2.32   0.85  -1.32  -0.82 
1 1 1    3   17    4 o   18.469   1.6104   25.376  174.300 -20.75  -4.11  -5.24  -2.08 
1 1 1    3   17    5 o   30.286   1.5465   26.920   67.000  25.22  15.82  -5.44 -10.60 
1 1 1    3   17    6 o   45.252   1.6446   47.878  115.800   6.10  15.72   2.41  -2.36 
1 1 1    3   17    7 o   60.408   1.4539   51.875  170.200 -14.84  -2.95  -3.13  -1.11 
1 1 1    3   17    8 o   17.968   1.0158   21.831  164.400  -5.34   2.22  -0.95   1.03 
1 1 1    3   17    9 o   27.284   1.6322   27.990  169.900 -20.78   3.90  -6.41   2.25 
1 1 1    3   17   10 o   4.3782   1.9450   7.0125   87.100   1.26  -0.54  -0.06   0.06 
1 1 1    3   17   11 o   22.707   1.5932   29.785 -164.6000 -23.61 -14.85  -2.78  -6.00 
1 1 1    3   17   12 o   64.384   0.5645   61.163   85.600  23.69   5.24 -19.61  -6.98 
1 1 1    3   17   13 o   3.0064   1.4041   0.8935 -143.3000  -1.97  -0.98  -0.48  -0.59 
1 1 1    3   17   14 f   30.050   0.2377   28.192 -128.2000  -1.21   0.46  -1.00   1.79 
1 1 1    3   17   15 o   55.670   1.7138   50.011  121.200 -32.06   7.58 -20.79   8.26 
1 1 1    3   17   16 o   17.816   0.7910   23.286   80.100  -5.60   1.17  -3.03   1.03 
1 1 1    3   17   17 o   21.881   0.3317   18.701  -7.2000  -1.51   3.50   1.33   1.19 
1 1 1    3   17   18 o   6.1323   1.7307   13.343   62.500 -11.37   6.30  -1.83   2.82 
1 1 1    3   17   19 o   10.574   2.1824   8.3251 -69.4000  22.08 -23.01   0.20   6.99 
1 1 1    3   17   20 o   12.549   1.3823   16.445 -161.1000  -4.76 -22.81   7.03  -2.87 
1 1 1    3   17   21 o   32.565   0.4674   27.996 -10.7000   4.61   1.01  -1.17  -0.73 
1 1 1    3   17   22 o   27.458   0.5762   29.573   6.3000   5.62  -1.52  -2.10   1.73 
1 1 1    3   17   23 o   18.143   0.2113   19.126 -171.5000   0.43   1.11   5.58   0.78 
1 1 1    3   17   24 o   18.456   0.9626   18.937 -99.1000   3.44 -12.86   4.04   1.96 
1 1 1    3   17   25 o   3.4019   0.8550   9.4543 -175.7000  -1.95   0.48  -0.71   0.47 
1 1 1    3   17   26 o   11.852   0.4263   8.9710 -27.5000   0.66  -1.79   0.28   0.33 
1 1 1    3   17   27 o   28.254   0.2132   31.886  113.800   0.70   0.86  -0.58  -0.67 
1 1 1    3   17   28 o   4.2067   0.6672   6.3034 -167.9000   0.11  -0.11  -0.25   0.08 
1 1 1    3   17   29 o   3.2266   0.8457   2.8625  176.000   0.11   0.48   0.21  -0.00 
1 1 1    3   17   30 o   18.687   0.6941   21.290   29.800   3.25   4.37   0.66  -1.20 
1 1 1    3   17   31 o   15.544   0.2706   18.314 -96.5000   1.35  -1.22  -5.47   1.33 
1 1 1    3   17   32 o   9.9825   0.4773   13.152 -125.0000  -2.97  -0.87  -1.17  -0.34 
1 1 1    3   17   33 o   18.837   0.7323   12.284   92.600   1.78  10.26   3.11  -1.85 
1 1 1    3   17   34 o   8.0775   0.4959   7.5352   35.300  -0.17  -0.54   0.48   0.37 
1 1 1    3   17   35 o   0.0000   2.5199  ?   ?    0.16   0.08   0.01  -0.07 
1 1 1    3   18    0 o   35.371   0.2666   39.199 -90.6000   0.00   0.14   0.00   0.00 
1 1 1    3   18    1 o   14.198   0.9987   15.501  128.000  -1.75   3.58   0.44   0.53 
1 1 1    3   18    2 o   25.753   0.7123   35.417 -131.7000  -1.66  -1.42  -0.11  -0.45 
1 1 1    3   18    3 o   19.249   2.6564   27.219   86.100   0.58  43.79  10.83  -0.44 
1 1 1    3   18    4 o   49.244   1.1572   60.425 -162.7000 -12.99  14.42   7.04  27.52 
1 1 1    3   18    5 o   40.546   0.5720   38.802 -10.2000   0.41  -1.40   0.68   0.22 
1 1 1    3   18    6 o   29.635   0.6022   34.369   77.300  10.74  -0.60 -11.83   2.54 
1 1 1    3   18    7 o   73.722   1.1929   64.779 -32.0000   3.34  -8.56   2.45   1.63 
1 1 1    3   18    8 o   36.965   0.6308   43.582 -178.4000  -8.42   0.08  -2.83  -0.09 
1 1 1    3   18    9 o   60.568   0.2789   54.942 -142.7000  -0.05  -1.67   6.21   6.44 
1 1 1    3   18   10 f   22.429   1.2153   15.081 -107.8000 -29.70  23.06  -3.65  15.32 
1 1 1    3   18   11 o   21.420   0.8200   23.530 -26.5000   4.70   3.39  -0.53  -1.91 
1 1 1    3   18   12 o   7.0373   1.3803   7.5092 -172.7000   0.61  -3.70   0.83   0.30 
1 1 1    3   18   13 o   36.281   2.4507   36.012  114.500 -12.01  21.80   2.29   3.93 
1 1 1    3   18   14 o   40.895   0.4509   30.266 -118.9000  -1.01   0.26  -1.02  -0.07 
1 1 1    3   18   15 f   36.789   1.3531   15.997  109.100   3.00  18.91   5.14  -2.05 
1 1 1    3   18   16 o   58.641   2.3498   47.944 -129.0000 -13.22 -36.12   8.51  -6.35 
1 1 1    3   18   17 o   50.793   1.3578   56.099   2.4000  13.04  34.94  23.13 -16.83 
1 1 1    3   18   18 o   23.378   1.3849   19.133  166.200 -25.87  12.33  -4.64   6.12 
1 1 1    3   18   19 o   6.8219   0.4514   17.322 -44.5000  -0.60  -0.44  -0.05  -0.12 
1 1 1    3   18   20 o   5.3889   0.9874   6.1232   41.300  -6.45   7.68   0.72   5.45 
1 1 1    3   18   21 o   13.692   0.8450   9.9512 -39.2000   8.16  -6.57  -0.49   2.92 
1 1 1    3   18   22 o   5.4000   0.5371   6.1811 -138.5000  -0.68   0.63  -0.03   0.17 
1 1 1    3   18   23 o   12.356   0.4167   27.338 -98.8000  -2.24   0.34  -0.81   0.43 
1 1 1    3   18   24 o   21.001   0.8663   17.573   10.600  15.21  -0.48  -4.70  -0.13 
1 1 1    3   18   25 o   5.6814   0.5636   8.5611  132.100  -0.51   0.03  -0.59   0.53 
1 1 1    3   18   26 o   9.2139   0.3830   14.591 -110.2000  -0.50  -0.67  -0.17  -0.75 
1 1 1    3   18   27 o   10.028   1.0522   9.6018 -161.7000 -11.02  -0.71  -2.25  -0.45 
1 1 1    3   18   28 o   10.185   0.5376   14.156  154.100  -2.72   1.48  -0.59   0.57 
1 1 1    3   18   29 o   9.0603   0.3989   8.3352  168.100   0.08   0.50  -0.29  -1.05 
1 1 1    3   18   30 o   6.6198   1.0798   6.5524   45.100   0.84   2.58   0.30  -0.16 
1 1 1    3   18   31 o   12.201   0.3105   15.658 -125.5000  -1.52  -0.91  -3.71  -0.18 
1 1 1    3   18   32 o   6.5809   0.5648   7.4728 -63.7000   0.31   0.30   0.11  -0.14 
1 1 1    3   18   33 o   19.517   0.2559   19.267  177.700  -1.36  -1.29   0.55  -0.66 
1 1 1    3   18   34 o   4.7435   0.7857   11.341   20.600   0.51  -0.54   0.13   0.18 
1 1 1    3   18   35 o   0.0000   2.6414  ?   ?   -0.15   0.21  -0.14   0.12 
1 1 1    3   19    0 o   21.415   0.2948   23.709 -89.0000   0.00   0.03   0.00   0.00 
1 1 1    3   19    1 o   32.214   1.0439   30.545  128.800 -15.42  -3.09  -3.59  -1.38 
1 1 1    3   19    2 o   36.070   1.1418   31.753 -176.5000 -11.24 -24.22   6.93  -8.76 
1 1 1    3   19    3 o   48.688   1.6080   50.812  172.500 -20.04  23.85   1.83   8.67 
1 1 1    3   19    4 o   46.509   0.3406   40.107  119.800  -7.45  -4.58  -2.09  -5.33 
1 1 1    3   19    5 o   61.972   1.0210   54.266   26.300   8.82  -1.72  -4.87   2.77 
1 1 1    3   19    6 o   79.608   1.2002   74.649  143.600  -0.34   5.29   4.75  -0.81 
1 1 1    3   19    7 o   48.979   1.7554   42.015 -28.6000  48.89  62.74   7.82 -27.96 
1 1 1    3   19    8 o   16.565   0.3516   19.053 -142.8000  -1.58  -3.99   4.82  -5.69 
1 1 1    3   19    9 o   24.748   1.3490   24.899   35.800  11.43   5.73  -1.99  -2.47 
1 1 1    3   19   10 o   39.966   0.5117   36.035   28.500   0.69   3.13   1.86  -0.46 
1 1 1    3   19   11 o   32.306   0.9080   36.540 -146.9000  -0.91  -6.25   2.12  -0.36 
1 1 1    3   19   12 o   18.672   1.4277   1.3684   22.100  -0.86  -9.88   1.93  -0.26 
1 1 1    3   19   13 o   29.229   1.7793   18.959 -125.9000 -23.15  -3.90  -5.18  -1.56 
1 1 1    3   19   14 o   27.519   1.1207   22.910 -64.3000  16.79  -0.28  -5.39  -0.05 
1 1 1    3   19   15 o   24.685   0.2013   30.891   60.000   2.03   0.19  -1.66  -0.01 
1 1 1    3   19   16 o   35.023   0.2666   24.550 -24.8000   0.39   0.55   0.89  -0.39 
1 1 1    3   19   17 o   28.630   0.5373   20.258   11.300   3.10   1.01  -1.67  -1.86 
1 1 1    3   19   18 o   15.166   1.5720   17.116  168.100 -30.86  17.52  -4.87   7.74 
1 1 1    3   19   19 o   20.462   0.4346   14.410   48.500   0.02   0.16   0.01   0.00 
1 1 1    3   19   20 o   7.3273   1.7717   3.2977 -135.5000 -11.76  14.66   1.23   5.01 
1 1 1    3   19   21 o   19.339   0.2227   16.789   24.400   1.64  -2.33   1.29   1.86 
1 1 1    3   19   22 o   12.045   0.7360   14.686   37.800  -0.50   7.41   2.11   0.47 
1 1 1    3   19   23 o   20.525   1.1118   24.891 -176.3000 -13.54 -15.07   0.83  -4.67 
1 1 1    3   19   24 o   9.3073   0.4408   8.2342 -75.0000   2.54  -4.19   1.62   2.26 
1 1 1    3   19   25 o   6.8520   1.4263   11.146 -140.7000  -9.44   4.10  -1.84   2.26 
1 1 1    3   19   26 o   7.9578   1.3120   10.305 -176.3000  -1.43 -11.91   2.82  -0.50 
1 1 1    3   19   27 o   10.324   0.4422   10.224  141.400  -2.62  -0.92  -0.51  -0.73 
1 1 1    3   19   28 o   5.9780   0.5625   4.6006   91.700   0.89   1.02  -0.03  -0.30 
1 1 1    3   19   29 f   9.9970   0.3686   11.227 -116.2000   0.33  -0.37   0.14   0.14 
1 1 1    3   19   30 o   22.444   0.2356   16.785   77.200   4.72   0.11  -4.54   4.31 
1 1 1    3   19   31 o   13.257   0.3487   8.4208 -55.5000  -0.44  -2.40   0.57  -0.47 
1 1 1    3   19   32 o   4.0812   0.8093   1.6228  169.100   0.01  -0.07  -0.02  -0.02 
1 1 1    3   19   33 o   9.1207   0.5185   7.3746   84.700   2.32   1.85  -0.58  -0.85 
1 1 1    3   19   34 o   8.7104   0.5012   10.539  101.700  -0.32   0.91   0.38  -0.10 
1 1 1    3   20    0 o   17.082   0.3273   23.352   90.100   0.00   0.19   0.00   0.00 
1 1 1    3   20    1 o   72.691   1.8522   63.628 -54.3000   2.49 -23.25  14.75   1.05 
1 1 1    3   20    2 o   14.869   0.7619   21.255 -54.7000   0.34  -8.11   5.58   0.20 
1 1 1    3   20    3 f   54.365   0.4121   41.799  135.000  -1.48   0.77  -0.24   1.04 
1 1 1    3   20    4 o   41.730   1.7810   44.882 -163.5000 -24.29   0.62  -5.97   0.58 
1 1 1    3   20    5 o   47.827   0.5285   24.280  -0.8000   3.24  -1.98  -0.60   2.21 
1 1 1    3   20    6 o   17.208   0.3943   23.041   71.500  -0.26   0.40  -2.53   3.71 
1 1 1    3   20    7 o   45.449   0.3295   48.940   29.300   0.39   0.52   0.53  -0.36 
1 1 1    3   20    8 o   45.199   0.3800   33.010 -139.3000   1.50  -3.15   2.53   1.49 
1 1 1    3   20    9 o   24.706   0.7078   28.796 -165.2000  -3.06   4.94   1.34   2.10 
1 1 1    3   20   10 o   3.1953   1.4990   9.2925  -5.0000   1.75  -0.13  -0.41   0.05 
1 1 1    3   20   11 o   8.8192   0.4518   15.294   72.100   0.45  -0.29  -0.12   0.62 
1 1 1    3   20   12 o   21.769   0.3861   23.225  124.000  -2.68  -1.20  -0.56  -0.54 
1 1 1    3   20   13 o   6.4284   1.9091   11.589  164.900  -3.73  -6.54   0.54  -0.94 
1 1 1    3   20   14 o   23.321   0.8765   17.863 -13.6000  17.04 -20.93   3.00  11.65 
1 1 1    3   20   15 f   40.765   0.8470   40.263  142.100   4.78  30.29  16.49  -7.04 
1 1 1    3   20   16 o   4.1231   0.6176   11.042  106.600   0.12  -0.03  -0.02   0.01 
1 1 1    3   20   17 f   15.476   0.4973   15.014 -162.6000   4.42  -0.42  -1.17   0.14 
1 1 1    3   20   18 o   20.141   2.0841   26.676 -168.6000 -57.97  20.72 -10.52   9.11 
1 1 1    3   20   19 f   41.450   2.4013   34.485 -116.4000  -2.83 -74.65  19.04  -0.18 
1 1 1    3   20   20 o   28.367   0.3058   28.942 -101.3000   2.17  -1.70  -0.01   0.71 
1 1 1    3   20   21 o   14.249   0.2851   11.458 -56.9000  -1.30  -1.62   0.89  -1.50 
1 1 1    3   20   22 o   12.334   0.8854   15.248  117.700   5.79  16.89   4.89  -4.41 
1 1 1    3   20   23 o   16.405   0.2956   14.555  173.900   1.70   1.54   0.29  -1.14 
1 1 1    3   20   24 o   19.471   0.3058   21.104   26.300  -1.47   1.28   0.49   1.26 
1 1 1    3   20   25 o   7.0984   0.4968   4.1785  140.200  -0.08  -0.01  -0.02   0.06 
1 1 1    3   20   26 f   11.402   0.8171   11.318  169.300  -5.10   0.88  -0.85   0.48 
1 1 1    3   20   27 o   9.9495   0.3641   13.024   89.700  -0.79   0.37  -0.21   0.10 
1 1 1    3   20   28 o   13.284   1.4848   14.640 -143.8000 -22.06  -8.03  -3.18  -3.14 
1 1 1    3   20   29 o   8.4006   0.5442   9.7951  -7.7000  -0.86  -0.14  -0.09  -0.07 
1 1 1    3   20   30 f   17.321   0.2665   13.812  144.700  -0.18  -0.11  -0.06   0.07 
1 1 1    3   20   31 o   16.491   0.3200   11.125   82.300   1.12   0.00  -0.30  -0.43 
1 1 1    3   20   32 o   8.3358   0.4771   11.962 -21.4000  -0.54  -0.21  -0.33   0.60 
1 1 1    3   20   33 o   0.0000   2.5999  ?   ?   -0.20   0.10  -0.06   0.02 
1 1 1    3   21    0 o   31.401   0.4845   14.563   89.600   0.00   0.40   0.00   0.00 
1 1 1    3   21    1 o   55.540   1.3592   37.100   4.1000  17.18  15.39   0.02  -7.61 
1 1 1    3   21    2 f   63.882   1.4150   51.482   76.900   4.95  17.41   3.79  -1.74 
1 1 1    3   21    3 o   40.325   1.0927   37.223 -119.8000   5.08 -13.61   3.50   3.73 
1 1 1    3   21    4 o   0.0000   2.9447  ?   ?   -0.18  -0.06  -0.13  -0.15 
1 1 1    3   21    5 o   17.622   0.3620   13.709   76.600   0.11   0.15  -0.03  -0.12 
1 1 1    3   21    6 o   27.197   0.7556   22.505 -64.4000   3.26  -2.05  -0.42   0.69 
1 1 1    3   21    7 o   12.625   2.4507   12.506 -135.1000 -33.03  -5.65  -8.00  -2.66 
1 1 1    3   21    8 o   34.161   0.3770   30.852 -113.6000   0.03  -3.60   1.17  -0.13 
1 1 1    3   21    9 o   32.825   1.2482   37.496  150.500  -5.64  21.57   5.09   2.58 
1 1 1    3   21   10 f   53.898   0.6331   51.608   75.100  -4.76   5.32  -0.37   4.00 
1 1 1    3   21   11 f   40.356   0.8715   44.066 -100.3000 -11.20  -4.07  -2.96  -1.99 
1 1 1    3   21   12 o   17.663   1.1319   23.514 -81.6000   2.17 -12.47   2.20   0.88 
1 1 1    3   21   13 o   24.798   1.0280   13.087 -15.8000  13.75  23.82   6.40  -9.90 
1 1 1    3   21   14 o   24.283   0.2305   19.552  174.200  -1.55  -0.30  -0.31  -0.07 
1 1 1    3   21   15 f   35.846   0.4313   30.768 -18.5000   0.78  -4.74   2.42   1.52 
1 1 1    3   21   16 o   21.154   0.4741   23.804 -50.2000   4.97   3.90  -0.32  -3.56 
1 1 1    3   21   17 o   15.527   1.0204   13.787  139.100  -2.38   8.69   1.45   0.75 
1 1 1    3   21   18 o   3.3015   0.8066   13.360   30.500   0.06   0.02   0.07  -0.09 
1 1 1    3   21   19 o   32.780   0.2257   31.776 -41.7000  -0.07  -0.41   0.11   0.23 
1 1 1    3   21   20 o   10.875   1.3577   8.2284   31.100  21.62 -17.28  -2.62   9.34 
1 1 1    3   21   21 o   21.746   1.0460   23.218 -17.1000  11.89  -7.69  -0.74   2.11 
1 1 1    3   21   22 f   26.300   0.2347   24.894   39.100   2.98   1.04  -0.72  -0.26 
1 1 1    3   21   23 o   6.2094   0.5892   10.222 -128.9000  -0.85   0.13  -1.57  -1.16 
1 1 1    3   21   24 o   9.4098   0.7678   13.292 -11.9000   3.35  -5.96   1.47   1.82 
1 1 1    3   21   25 o   8.2851   0.4121   7.0724 -61.4000  -0.32  -1.74   1.01  -1.54 
1 1 1    3   21   26 o   9.5534   0.4389   7.2767 -131.1000  -3.03   2.34   0.20   2.49 
1 1 1    3   21   27 o   17.530   0.6655   9.2355   14.700  16.04  -3.42  -8.28   6.04 
1 1 1    3   21   28 o   11.529   0.7412   9.0796 -43.7000   4.80  -2.52  -0.97   0.89 
1 1 1    3   21   29 o   11.784   0.8890   6.5688   72.000  -0.82   4.71   0.66   0.11 
1 1 1    3   21   30 o   10.732   0.4230   13.243   78.000  -0.55   1.52  -0.54   1.97 
1 1 1    3   21   31 o   10.754   0.4110   11.842 -13.7000   0.15   0.79   0.09  -0.23 
1 1 1    3   21   32 o   9.8022   0.9001   10.446   75.800   4.04  -0.32  -0.88  -0.20 
1 1 1    3   22    0 o   15.476   0.3937   32.496   90.400   0.00   0.04   0.00   0.00 
1 1 1    3   22    1 o   24.769   0.2759   33.287 -49.3000   1.62   1.87   0.02  -0.85 
1 1 1    3   22    2 o   1.6320   1.2180   7.5046  -5.2000   0.95   1.09   0.07  -0.37 
1 1 1    3   22    3 o   38.928   0.3904   37.763 -133.5000   2.71  -6.11   2.03   3.02 
1 1 1    3   22    4 o   10.478   0.3906   1.9970 -60.8000   0.65  -0.00  -0.09  -0.01 
1 1 1    3   22    5 o   43.234   0.9846   33.380 -40.6000   1.34 -17.73   7.38   0.47 
1 1 1    3   22    6 o   30.138   1.2543   24.478 -132.7000  -6.90 -27.47   7.75  -3.77 
1 1 1    3   22    7 o   25.585   0.4298   19.104 -23.3000   3.04   0.25  -0.65  -0.18 
1 1 1    3   22    8 o   38.940   1.0273   23.104   49.700  -1.73  26.17   9.17   1.95 
1 1 1    3   22    9 o   3.9906   0.7552   9.0500  178.700   0.92   0.03  -0.44   0.02 
1 1 1    3   22   10 o   40.319   0.5126   23.572   32.000   1.85   5.27   0.94  -1.01 
1 1 1    3   22   11 o   21.761   0.2901   22.848  127.800  -4.52  -1.02  -3.08  -2.16 
1 1 1    3   22   12 f   15.895   0.5364   8.6405  178.000  -8.55   1.05  -3.74   1.24 
1 1 1    3   22   13 f   32.759   0.8038   38.783 -97.0000  16.51  -9.49  -3.36   4.62 
1 1 1    3   22   14 o   18.327   0.8850   20.575 -42.8000   3.66  -7.64   1.54   1.61 
1 1 1    3   22   15 o   25.355   0.2214   27.024  144.400   0.97   1.39  -0.72  -2.22 
1 1 1    3   22   16 o   17.273   0.3323   21.224   17.300   2.79  -1.10  -0.82   1.16 
1 1 1    3   22   17 o   16.688   1.2446   11.181   76.500  -2.26  25.72   6.29   1.52 
1 1 1    3   22   18 o   11.567   0.4083   18.195 -157.8000  -0.90  -0.63  -0.07  -0.13 
1 1 1    3   22   19 f   8.6283   0.3754   2.4337 -83.0000   0.34   0.10  -0.06  -0.10 
1 1 1    3   22   20 o   1.4404   1.0681   2.6785 -99.5000   0.33   0.49   0.05  -0.09 
1 1 1    3   22   21 o   12.885   0.2980   19.927  -4.8000   0.37   0.86   0.00  -1.04 
1 1 1    3   22   22 o   26.145   0.2218   24.102   75.100   2.98   0.44  -3.14   1.58 
1 1 1    3   22   23 o   8.1941   0.4346   4.0094 -134.1000   1.24  -0.95   0.02   0.37 
1 1 1    3   22   24 o   25.195   0.2213   26.758   38.000   0.41   0.36   0.24   0.07 
1 1 1    3   22   25 o   1.9531   1.1015   4.4672 -154.5000  -0.03  -0.52   0.22   0.08 
1 1 1    3   22   26 o   16.110   1.1837   14.214 -168.5000 -17.74  -8.93  -4.25  -4.25 
1 1 1    3   22   27 o   24.392   0.3616   20.301  115.400  -0.61   0.31   0.08   0.14 
1 1 1    3   22   28 o   13.762   0.3131   10.493 -71.8000  -3.25  -0.56  -1.66  -2.17 
1 1 1    3   22   29 o   18.331   0.3518   19.428 -57.5000  -1.33  -3.49   0.42  -1.17 
1 1 1    3   22   30 o   1.9200   1.1969   5.0767  137.000  -0.04   0.06  -0.02  -0.00 
1 1 1    3   22   31 o   2.0832   1.3490   1.2068 -105.0000  -0.05  -0.24   0.01  -0.01 
1 1 1    3   23    0 o   5.9245   0.7838   3.9931 -87.8000   0.00   0.02   0.00   0.00 
1 1 1    3   23    1 o   40.478   0.5165   24.202  155.600  -0.11  -1.47   0.76   0.23 
1 1 1    3   23    2 o   19.955   0.8391   10.022 -143.0000 -13.55  -6.40  -3.02  -3.31 
1 1 1    3   23    3 o   8.2355   1.2386   13.731 -64.9000  10.68   7.18  -1.56  -3.52 
1 1 1    3   23    4 o   17.295   0.3895   20.013 -47.5000  -2.37  -4.45   2.21  -2.59 
1 1 1    3   23    5 o   10.351   0.8883   22.447   49.800  13.22 -12.77   0.05  10.32 
1 1 1    3   23    6 o   4.2430   0.7003   9.7346 -152.5000  -0.06  -0.03  -0.01  -0.01 
1 1 1    3   23    7 f   5.7770   0.5594   26.004 -150.1000  -0.40  -0.69   0.12  -0.16 
1 1 1    3   23    8 o   28.002   0.8348   18.106 -105.2000 -10.63  -9.39  -0.17  -3.08 
1 1 1    3   23    9 o   22.963   0.5020   19.715   84.900  12.18   5.35  -5.83  -5.24 
1 1 1    3   23   10 o   20.340   0.3982   26.873  123.300  -1.05  -1.22  -0.00  -0.23 
1 1 1    3   23   11 o   24.429   0.8764   19.500  -0.6000  11.94  -3.11  -2.25   1.51 
1 1 1    3   23   12 o   15.748   0.3651   17.739 -16.4000  -1.01   1.62   0.29   0.42 
1 1 1    3   23   13 o   29.816   0.2772   24.352  123.800  -3.20   1.02  -1.32   0.42 
1 1 1    3   23   14 o   24.435   0.3400   19.711 -104.2000  -2.04  -1.94   0.15  -0.80 
1 1 1    3   23   15 o   12.936   0.9967   16.234   2.3000   8.19  13.89   2.32  -5.18 
1 1 1    3   23   16 o   26.050   0.6898   20.695 -162.9000  -8.88   2.81  -1.17   0.63 
1 1 1    3   23   17 o   12.309   1.1924   14.517  113.100 -13.32  16.57   0.74   4.62 
1 1 1    3   23   18 o   17.369   0.6674   17.074  176.800  -7.76   1.63  -1.80   0.51 
1 1 1    3   23   19 o   16.570   1.1763   19.278   14.100  14.63  17.56   1.64  -5.92 
1 1 1    3   23   20 o   17.781   0.2540   14.467 -115.8000  -0.53  -0.44  -1.22   0.36 
1 1 1    3   23   21 o   6.1400   0.9890   5.8463 -26.4000   3.33  -1.49  -0.61   0.51 
1 1 1    3   23   22 o   9.4954   0.4034   8.9648 -15.9000   0.68   0.46  -0.15  -0.12 
1 1 1    3   23   23 o   5.0240   0.6882   5.5591 -179.4000  -0.77   0.77   0.11   0.29 
1 1 1    3   23   24 o   8.3452   0.4452   10.042  -9.8000   0.89   1.99   0.95  -0.42 
1 1 1    3   23   25 o   6.5309   2.4491   4.6858   0.1000   5.87   0.96  -0.71  -0.31 
1 1 1    3   23   26 o   9.3826   0.4470   13.132 -165.9000  -0.50  -0.12  -0.15   0.08 
1 1 1    3   23   27 o   12.024   0.3372   9.3021 -101.0000   0.40  -0.34   0.08   0.11 
1 1 1    3   23   28 o   4.1947   1.9139   8.2885 -58.4000   3.05  -1.61  -0.27   0.34 
1 1 1    3   23   29 o   9.7457   0.6130   1.8658 -10.3000   3.35  -1.40  -0.91   0.37 
1 1 1    3   23   30 o   15.747   1.1884   11.703  119.900 -12.93   5.25  -2.87   1.45 
1 1 1    3   24    0 o   11.014   0.4573   8.5309   88.000  -0.00  -0.03   0.00   0.00 
1 1 1    3   24    1 f   18.380   1.7757   15.820 -177.4000 -39.47 -44.71   1.63 -11.04 
1 1 1    3   24    2 o   14.144   0.2841   14.510 -14.7000  -0.08  -0.38   0.14  -0.01 
1 1 1    3   24    3 o   17.654   0.2451   13.600  102.200  -4.44  -2.52  -2.68  -8.40 
1 1 1    3   24    4 o   10.404   0.3664   10.491  144.800   0.29  -0.72   0.24   0.15 
1 1 1    3   24    5 o   10.360   0.6689   3.4130  169.700  -4.24   1.94  -0.52   0.68 
1 1 1    3   24    6 o   9.3024   0.4160   19.287 -81.0000   1.65  -4.66   4.19   4.80 
1 1 1    3   24    7 o   19.042   1.7243   18.105  117.500 -21.11  50.80  11.36  10.61 
1 1 1    3   24    8 o   19.392   1.4700   25.152   39.700   5.04  36.29  12.52  -2.84 
1 1 1    3   24    9 o   7.4120   1.4180   11.412 -20.1000  10.32  -2.58  -2.02   1.19 
1 1 1    3   24   10 o   8.6284   0.8454   11.411 -16.2000   3.80   6.76   1.08  -2.12 
1 1 1    3   24   11 o   26.481   1.2474   31.795   54.900   8.38  29.43   7.38  -3.80 
1 1 1    3   24   12 o   23.793   0.4617   22.073 -166.8000  -0.61  -1.19   0.06  -0.06 
1 1 1    3   24   13 o   17.004   1.1162   18.248 -109.9000 -18.65  -3.14  -5.18  -1.30 
1 1 1    3   24   14 o   10.283   0.3365   12.957 -36.9000  -0.04  -0.69   0.20   0.04 
1 1 1    3   24   15 o   19.713   1.2141   19.523  -2.0000  27.27 -14.43  -4.88   8.76 
1 1 1    3   24   16 o   9.5441   0.3913   7.0557  148.800  -0.72  -0.17  -0.30  -0.91 
1 1 1    3   24   17 o   11.860   0.3017   18.501   53.800   1.70  -0.97   0.62   3.71 
1 1 1    3   24   18 o   5.2173   0.6373   4.4653 -133.5000   0.01  -0.01   0.00   0.00 
1 1 1    3   24   19 f   10.311   0.3713   15.442 -109.2000  -3.16  -2.98  -2.37  -4.87 
1 1 1    3   24   20 o   4.4322   0.7636   8.8773 -15.7000   2.12  -0.10  -0.54  -0.08 
1 1 1    3   24   21 o   15.351   0.5028   14.491   88.200   2.72  -0.25  -0.47  -0.05 
1 1 1    3   24   22 o   14.802   0.8672   17.935  103.800  -6.70   5.72  -0.60   1.73 
1 1 1    3   24   23 o   6.2925   0.7501   7.7737   71.800  -1.15   3.34   0.66   0.89 
1 1 1    3   24   24 o   12.807   0.5693   11.513   84.800   2.09   4.89   0.83  -1.74 
1 1 1    3   24   25 o   5.9569   0.7783   6.0829   3.9000   1.44   0.91  -0.03  -0.30 
1 1 1    3   24   26 o   12.030   0.3712   7.0548 -175.2000  -0.46  -1.41  -0.07  -1.00 
1 1 1    3   24   27 o   19.578   0.2956   16.698  144.400  -0.30   0.41   0.00  -0.24 
1 1 1    3   24   28 o   2.6971   1.0216   3.8889   72.700  -0.10   0.22   0.09  -0.09 
1 1 1    3   24   29 f   0.0000   2.6684  ?   ?   -0.03  -0.05   0.01  -0.00 
1 1 1    3   25    0 o   8.0870   0.5758   2.0136   81.100  -0.00  -0.02   0.00   0.00 
1 1 1    3   25    1 o   7.3452   0.5103   14.326  112.300   0.31   0.18  -0.03  -0.04 
1 1 1    3   25    2 o   22.485   0.4202   18.508  166.000   1.06   4.38   1.43  -0.45 
1 1 1    3   25    3 o   16.773   0.3246   21.064 -53.5000   1.99   0.43  -0.99  -0.82 
1 1 1    3   25    4 o   9.5826   0.4021   7.3164 -22.3000  -0.19  -0.80   0.26  -0.05 
1 1 1    3   25    5 f   16.165   0.2669   16.644 -24.1000   1.13   1.54   3.40  -2.53 
1 1 1    3   25    6 o   15.173   0.2890   13.654 -138.6000   1.35  -0.07  -0.48  -0.09 
1 1 1    3   25    7 o   33.426   0.2420   35.505 -172.5000  -1.71   1.89  10.81  -2.00 
1 1 1    3   25    8 o   26.700   0.2526   27.362  -5.7000   1.65  -1.19   0.04   0.73 
1 1 1    3   25    9 o   12.443   0.5312   10.354 -106.5000  -4.00   0.68  -1.64   0.22 
1 1 1    3   25   10 o   10.127   0.6416   12.910  134.400  -4.39   0.44  -1.11   0.40 
1 1 1    3   25   11 o   10.571   1.6759   15.954  113.100 -15.55  23.07   2.09   5.99 
1 1 1    3   25   12 o   24.300   0.6212   18.398   47.900   3.93   1.76  -1.08  -0.66 
1 1 1    3   25   13 o   11.336   0.3679   19.267 -156.3000  -2.45  -0.96  -1.70  -0.68 
1 1 1    3   25   14 o   19.771   0.5784   18.875 -22.5000   7.31  -0.38  -1.45  -0.11 
1 1 1    3   25   15 o   7.8549   0.4708   2.2254 -178.1000   0.20  -3.20   2.44   1.23 
1 1 1    3   25   16 o   2.6227   0.9605   1.3455 -172.3000  -0.01  -0.19   0.04  -0.02 
1 1 1    3   25   17 f   6.8499   0.9765   10.792 -39.3000   2.50  -4.12   0.75   1.02 
1 1 1    3   25   18 o   6.9595   0.5583   6.7635 -155.8000  -0.44   0.09  -0.16  -0.25 
1 1 1    3   25   19 o   13.557   0.3109   10.281  104.900  -0.25   0.70   0.03   0.09 
1 1 1    3   25   20 o   7.1420   0.5434   8.7749 -51.7000   0.49  -0.11  -0.09  -0.01 
1 1 1    3   25   21 o   12.975   0.4861   7.9241  175.100  -0.60   7.72   4.47  -0.70 
1 1 1    3   25   22 o   5.4590   0.7216   6.4691  108.700  -0.60   0.17  -0.09   0.00 
1 1 1    3   25   23 o   16.140   0.4142   9.9985  144.800  -1.51   1.72  -0.23   0.53 
1 1 1    3   25   24 o   5.9659   0.5941   6.9296   76.000  -0.08   0.20   0.06  -0.09 
1 1 1    3   25   25 o   16.837   0.3252   13.500   45.400   0.16   1.25   0.25   0.76 
1 1 1    3   25   26 o   15.286   0.6010   14.922 -142.8000  -5.17   1.83  -1.02   0.33 
1 1 1    3   25   27 o   5.8612   0.7488   6.2569 -168.6000  -1.05  -0.40  -0.38   0.13 
1 1 1    3   26    0 o   16.826   0.3464   19.066 -90.2000  -0.00  -0.20   0.00   0.00 
1 1 1    3   26    1 f   8.1679   1.4785   16.575  164.500   0.33  -1.85   0.05   0.02 
1 1 1    3   26    2 o   22.743   0.2629   23.120   9.2000   1.13   1.67  -0.02  -0.59 
1 1 1    3   26    3 o   22.597   1.4548   13.505 -54.9000   4.72 -50.31  13.75   1.60 
1 1 1    3   26    4 f   6.0519   0.5945   8.5002   51.600  -0.38   1.51   0.47   0.45 
1 1 1    3   26    5 o   24.771   0.5742   22.674 -82.1000 -11.30  -8.21  -2.16  -4.08 
1 1 1    3   26    6 o   20.471   0.2533   14.637   18.000   0.20   4.87   2.15  -0.85 
1 1 1    3   26    7 o   14.274   1.0556   9.8420 -90.5000  11.44 -10.97  -0.45   3.61 
1 1 1    3   26    8 o   9.0343   0.5279   7.4136   31.600   1.71  -1.32  -0.01   0.55 
1 1 1    3   26    9 o   18.310   0.5301   13.294 -86.2000  14.40   0.73  -9.66   1.03 
1 1 1    3   26   10 o   6.9501   1.6305   13.474 -77.3000   1.83 -10.65   2.19   0.98 
1 1 1    3   26   11 o   14.473   0.4589   15.134   50.000   1.91   3.72   0.97  -0.80 
1 1 1    3   26   12 o   13.164   0.3102   15.991 -149.3000  -0.05  -1.48   0.94  -0.84 
1 1 1    3   26   13 o   29.516   1.0292   33.439 -177.3000 -31.32  27.62   1.09  20.16 
1 1 1    3   26   14 o   20.385   0.3655   16.275   0.7000   7.06   0.59  -1.63  -0.68 
1 1 1    3   26   15 o   4.8861   0.6916   7.7460   1.5000  -0.04   0.23   0.07  -0.24 
1 1 1    3   26   16 o   16.905   0.2770   16.292  101.100  -0.11   0.81  -0.07  -0.67 
1 1 1    3   26   17 o   13.991   0.3468   17.784  112.000   0.16   2.29   1.23  -1.48 
1 1 1    3   26   18 f   10.710   0.3445   11.320  165.100  -0.24   0.08   0.21  -0.13 
1 1 1    3   26   19 o   10.244   0.4807   9.2740 -112.1000  -3.01   0.15  -1.21   0.81 
1 1 1    3   26   20 o   3.0554   1.4465   4.1477 -97.5000  -0.50   0.09  -0.04   0.03 
1 1 1    3   26   21 f   9.3298   0.4510   11.421  148.100  -0.60   0.14   0.75  -0.38 
1 1 1    3   26   22 o   8.0283   0.4902   11.108  124.500   0.06   0.21  -0.11  -0.03 
1 1 1    3   26   23 o   11.122   0.3942   8.2299  112.500   3.89   2.20  -2.24  -1.15 
1 1 1    3   26   24 o   4.1104   0.8508   2.0483 -176.6000  -0.67   0.75   0.23   0.24 
1 1 1    3   26   25 o   7.8790   1.5399   6.1036 -104.1000  -2.49  -2.23  -0.10  -0.27 
1 1 1    3   26   26 o   0.0000   2.6656  ?   ?    0.31   0.76   0.29  -0.06 
1 1 1    3   27    0 o   20.479   0.3810   19.373   90.000  -0.00  -0.39   0.00   0.00 
1 1 1    3   27    1 o   17.656   1.0195   9.8764 -13.7000  12.73   3.23  -2.00  -0.81 
1 1 1    3   27    2 o   12.393   0.3596   7.0743  138.000  -0.38   1.10   0.17   0.35 
1 1 1    3   27    3 o   9.7775   0.7504   12.272   22.800   0.89   1.98   0.20  -0.16 
1 1 1    3   27    4 o   18.811   0.2803   10.948 -147.2000   0.14  -0.52   0.04   0.11 
1 1 1    3   27    5 o   18.668   0.4559   19.870 -19.1000   5.34   3.47  -0.35  -3.57 
1 1 1    3   27    6 o   18.064   0.2813   10.485 -103.7000  -2.80   1.51  -0.10   2.13 
1 1 1    3   27    7 o   0.0000   2.6103  ?   ?   -0.65   0.26  -0.14   0.31 
1 1 1    3   27    8 o   6.0015   0.6716   11.038 -31.4000   0.45   1.22   0.88  -0.12 
1 1 1    3   27    9 o   30.182   0.6138   29.825 -87.4000  17.82  -4.94  -8.10   2.12 
1 1 1    3   27   10 o   17.749   0.2986   13.891   66.900   0.65  -0.52  -0.33   0.14 
1 1 1    3   27   11 o   11.035   0.4113   3.0226   16.900   1.60   0.89   0.22  -1.54 
1 1 1    3   27   12 o   23.378   0.9924   23.200  154.500 -28.67   0.78  -9.77  -1.06 
1 1 1    3   27   13 o   11.337   0.3716   10.058 -97.0000   2.22  -2.00  -1.30   1.36 
1 1 1    3   27   14 o   4.7669   0.7762   10.780   18.100   0.51  -0.14  -0.17  -0.07 
1 1 1    3   27   15 o   0.0000   2.4371  ?   ?   -0.18  -0.48   0.39  -0.00 
1 1 1    3   27   16 o   6.2605   0.6281   1.9022 -112.1000   0.38   0.29   0.02  -0.06 
1 1 1    3   27   17 o   16.164   0.7926   11.862 -51.4000   3.26  -7.78   3.09   1.52 
1 1 1    3   27   18 o   5.2308   0.7329   7.9052  115.000  -0.89   0.03  -0.28  -0.36 
1 1 1    3   27   19 f   7.5740   0.7543   6.9390 -122.9000   0.42   0.27  -0.02  -0.02 
1 1 1    3   27   20 o   10.357   0.3898   5.6321 -162.8000   0.16  -0.28  -0.10   0.06 
1 1 1    3   27   21 o   13.094   0.6843   11.925 -83.5000   2.27  -5.62   0.59   1.23 
1 1 1    3   27   22 o   7.0462   0.5894   3.4646 -176.0000   0.73   1.19   0.30  -0.16 
1 1 1    3   27   23 o   10.903   0.7367   9.7698  175.800  -0.76   1.83   0.06   0.16 
1 1 1    3   27   24 o   14.108   0.6113   12.999  111.000   0.31   2.65   0.23  -0.26 
1 1 1    3   28    0 o   5.5227   0.8802   6.0433 -89.6000  -0.00  -0.00   0.00   0.00 
1 1 1    3   28    1 f   23.215   0.2536   24.643  163.100  -1.10   0.69   1.49   0.57 
1 1 1    3   28    2 o   4.2415   0.7754   3.5949 -112.8000  -0.42  -0.30   0.27  -0.33 
1 1 1    3   28    3 o   4.7722   1.6809   2.9347   18.600  -1.12   6.05   1.33   0.71 
1 1 1    3   28    4 o   18.528   0.2765   18.780   19.700   0.20  -0.08   0.01  -0.09 
1 1 1    3   28    5 o   5.8602   0.9160   3.5548  176.500  -1.46  -0.79  -0.08  -0.23 
1 1 1    3   28    6 f   16.835   0.7171   16.251 -26.4000   6.19   4.63  -0.15  -1.66 
1 1 1    3   28    7 o   7.7815   0.6275   3.5447 -141.4000  -2.63  -1.80  -0.57  -0.76 
1 1 1    3   28    8 o   4.9748   0.8986   3.4318   91.200   0.10   0.11  -0.01  -0.01 
1 1 1    3   28    9 o   14.610   0.2976   15.134  114.500  -0.53   0.61  -0.10   0.12 
1 1 1    3   28   10 f   4.8899   1.4969   4.8713 -177.8000  -0.29   2.16   0.33   0.00 
1 1 1    3   28   11 o   7.6475   0.5367   9.0813   53.500   0.21   0.63   0.12   0.01 
1 1 1    3   28   12 o   10.664   0.8979   9.1670 -41.1000   3.71  -4.42   0.55   1.16 
1 1 1    3   28   13 o   9.7563   0.4539   14.786  178.300   0.79  -3.95   1.25   1.36 
1 1 1    3   28   14 o   3.2961   0.9631   4.6545   73.700   0.04   0.05   0.00  -0.00 
1 1 1    3   28   15 o   13.041   0.4374   14.243  -5.6000   3.86  -1.68  -0.47   1.95 
1 1 1    3   28   16 o   5.2090   1.0660   5.5014   62.900  -0.68  -1.07   0.09  -0.10 
1 1 1    3   28   17 o   11.463   0.4081   11.419   68.700   0.74   0.84  -0.25  -0.24 
1 1 1    3   28   18 o   4.8081   0.7498   2.2878 -150.0000  -0.24  -0.25  -0.10  -0.04 
1 1 1    3   28   19 o   2.4024   1.2352   5.1078 -76.4000   0.21  -0.06  -0.03  -0.01 
1 1 1    3   28   20 o   9.5418   1.1324   5.3584 -50.4000   0.08  -5.63   1.06  -0.35 
1 1 1    3   28   21 o   3.1047   1.0858   7.6945 -155.4000   0.13  -0.27  -0.03   0.05 
1 1 1    3   28   22 o   6.2419   0.6932   7.8843  119.100  -0.48   0.10  -0.04  -0.02 
1 1 1    3   28   23 o   0.0000   2.8018  ?   ?    0.02   0.30   0.06  -0.13 
1 1 1    3   29    0 o   4.0125   1.2791   2.2137   88.300  -0.00  -0.09   0.00   0.00 
1 1 1    3   29    1 o   14.105   0.3349   10.688 -41.3000   0.03   1.28   0.17  -0.18 
1 1 1    3   29    2 o   5.0850   0.9227   0.5787 -71.1000   0.25   0.16  -0.06   0.02 
1 1 1    3   29    3 f   7.6762   0.6366   6.9594   15.700   0.08   0.05  -0.00  -0.00 
1 1 1    3   29    4 o   11.476   1.0065   9.8386 -53.3000   4.40  -2.30  -0.19   0.65 
1 1 1    3   29    5 f   10.351   0.4134   6.8935 -57.3000  -0.12   0.35   0.07  -0.06 
1 1 1    3   29    6 f   10.505   1.0956   6.2931   65.500   6.03   6.12  -0.25  -1.46 
1 1 1    3   29    7 o   9.1434   1.1954   10.352   45.800   7.40   0.95  -1.38  -0.07 
1 1 1    3   29    8 o   4.0195   1.0098   4.1940 -141.1000   0.15  -0.43   0.05   0.01 
1 1 1    3   29    9 f   9.9433   0.5700   9.1816 -102.4000  -1.60  -1.58   0.07  -0.25 
1 1 1    3   29   10 o   4.9811   0.8723   5.0018   41.500  -0.59   0.00   0.03   0.35 
1 1 1    3   29   11 o   7.3635   0.7156   4.1252 -16.4000   0.40   0.25   0.06   0.27 
1 1 1    3   29   12 o   9.6464   0.4408   13.687 -158.5000  -0.84   0.49  -0.62  -0.17 
1 1 1    3   29   13 o   6.8072   0.6159   4.0249   40.000  -0.98   0.39  -0.41  -0.11 
1 1 1    3   29   14 o   10.105   1.0960   6.2188 -22.4000   7.53   1.69  -1.12  -0.96 
1 1 1    3   29   15 o   8.2706   0.5487   4.9645 -21.1000  -0.46  -0.20  -0.12   0.19 
1 1 1    3   29   16 o   6.1869   0.7409   2.8905 -76.8000  -0.64  -0.74  -0.12  -0.16 
1 1 1    3   29   17 o   11.691   0.7662   11.897 -78.0000  -1.19  -5.10   0.88  -1.13 
1 1 1    3   29   18 o   5.4323   1.5507   6.5472   33.100   1.93   0.79  -0.26  -0.11 
1 1 1    3   29   19 o   5.3238   0.8790   5.7742 -148.2000  -0.12   0.28  -0.01  -0.08 
1 1 1    3   29   20 o   4.9929   0.7696   7.7703  172.100   0.10  -0.11  -0.01   0.00 
1 1 1    3   29   21 o   0.0000   2.7824  ?   ?    0.27  -0.10  -0.09  -0.01 
1 1 1    3   30    0 o   9.4499   0.8288   1.4579 -90.8000  -0.00  -0.20   0.00   0.00 
1 1 1    3   30    1 o   4.4741   0.9122   0.9624 -140.5000  -0.26  -0.15   0.11   0.15 
1 1 1    3   30    2 o   8.7267   0.5355   8.4506 -153.3000   0.18  -1.11   0.11   0.19 
1 1 1    3   30    3 o   3.8655   1.0726   2.8020 -27.9000   0.31   0.10  -0.00  -0.04 
1 1 1    3   30    4 o   13.015   0.4244   6.7158 -25.3000   0.94   0.38  -0.32   0.38 
1 1 1    3   30    5 f   5.6627   2.4984   5.5360  172.000  -3.16  -7.65   1.12  -0.83 
1 1 1    3   30    6 o   9.2988   0.6643   8.3210  -8.2000   1.25   3.34   0.90  -0.20 
1 1 1    3   30    7 o   5.1157   0.8069   0.7983 -61.2000   0.12  -0.15   0.04  -0.02 
1 1 1    3   30    8 o   4.4066   2.0040   3.9447 -123.1000   0.05  -0.85   0.04  -0.01 
1 1 1    3   30    9 o   8.4334   0.5214   9.6264  122.200   0.16   0.24  -0.08   0.03 
1 1 1    3   30   10 o   10.020   0.5430   8.2784   98.000   0.08   0.20   0.01   0.01 
1 1 1    3   30   11 o   0.0000   2.9142  ?   ?    0.51   0.07  -0.11   0.06 
1 1 1    3   30   12 f   7.5362   1.1252   8.9008 -28.8000   0.34  -4.08   0.62  -0.11 
1 1 1    3   30   13 o   4.9654   0.8634   3.9781  143.800   0.16  -0.13  -0.01  -0.06 
1 1 1    3   30   14 f   1.4905   1.2896   2.6263   66.300   0.23   0.05   0.03  -0.07 
1 1 1    3   30   15 o   10.379   0.7278   11.928 -61.5000   1.53  -5.63   1.89  -0.02 
1 1 1    3   30   16 o   5.6072   1.1142   3.3359 -25.7000  -0.45  -1.02   0.14  -0.02 
1 1 1    3   30   17 o   0.8122   1.3551   2.5090 -151.6000  -0.13  -0.13   0.03   0.02 
1 1 1    3   30   18 o   0.0000   2.8123  ?   ?   -0.00   0.15  -0.03  -0.02 
1 1 1    3   31    0 o   6.3561   1.0130   1.2834 -93.4000   0.00   0.17   0.00   0.00 
1 1 1    3   31    1 o   5.7532   1.0675   1.1149 -98.8000   0.04  -0.35  -0.04   0.04 
1 1 1    3   31    2 f   16.047   0.4319   14.534  154.300  -1.26   0.93   0.72  -0.60 
1 1 1    3   31    3 o   3.9774   0.9520   2.3610   5.5000   0.04   0.34   0.02   0.01 
1 1 1    3   31    4 o   0.0000   2.9036  ?   ?    0.04  -0.08  -0.02  -0.02 
1 1 1    3   31    5 o   8.7915   0.7866   9.5414 -156.4000  -0.28  -0.12  -0.00  -0.00 
1 1 1    3   31    6 o   12.100   0.4697   11.309  129.000  -1.02   0.38  -0.11  -0.00 
1 1 1    3   31    7 o   9.3020   0.6198   6.1837   23.200   1.82   1.06  -0.61  -0.08 
1 1 1    3   31    8 f   8.6479   0.6317   6.7356 -122.0000  -0.17  -0.87  -0.05  -0.23 
1 1 1    3   31    9 o   8.9771   0.5160   10.200 -107.7000  -0.37  -0.24  -0.09   0.10 
1 1 1    3   31   10 o   3.9223   1.2129   7.5988  161.400  -0.21   0.03  -0.00   0.01 
1 1 1    3   31   11 f   3.8821   1.1881   2.6583 -115.6000   0.42   0.30   0.05  -0.05 
1 1 1    3   31   12 o   0.0000   3.0452  ?   ?    0.19   0.24  -0.11   0.07 
1 1 1    3   31   13 o   4.6343   0.9695   6.3450  108.900  -0.47   0.87  -0.59  -0.22 
1 1 1    3   31   14 o   7.1610   0.6507   4.8951 -129.4000  -0.75  -0.39  -0.10  -0.01 
1 1 1    3   31   15 o   0.0000   2.8410  ?   ?   -0.14  -0.17  -0.08   0.02 
1 1 1    3   31   16 o   0.0000   3.0018  ?   ?   -0.19  -0.06   0.04   0.21 
1 1 1    3   32    0 o   6.3087   1.3506   9.4723   89.500  -0.00  -0.01   0.00   0.00 
1 1 1    3   32    1 o   8.6010   0.6724   2.2975 -86.1000   0.09  -0.12   0.01  -0.01 
1 1 1    3   32    2 o   0.0000   2.7080  ?   ?   -0.09  -0.00  -0.00   0.01 
1 1 1    3   32    3 f   6.3531   0.8144   7.4891 -77.3000   0.32  -0.10   0.06   0.01 
1 1 1    3   32    4 o   10.620   0.8818   7.0840 -89.5000   1.79  -0.02  -0.14   0.15 
1 1 1    3   32    5 o   8.3717   0.7476   8.3500 -146.3000  -0.73  -0.08   0.19  -0.05 
1 1 1    3   32    6 o   4.1764   1.9521   7.8019   54.900  -0.75   0.32  -0.02   0.06 
1 1 1    3   32    7 o   14.115   0.4067   11.575 -49.6000   1.62  -1.27   1.29  -1.08 
1 1 1    3   32    8 o   0.0000   2.8981  ?   ?   -0.26  -0.06   0.04   0.10 
1 1 1    3   32    9 o   3.6822   1.5735   4.5331 -154.0000  -0.22  -0.23  -0.02   0.00 
1 1 1    3   32   10 f   0.0000   3.3055  ?   ?   -0.12   0.71   0.12  -0.08 
1 1 1    3   32   11 o   11.531   0.6221   7.2446 -103.1000  -2.64  -2.88   0.85  -0.40 
1 1 1    3   32   12 o   0.0000   3.1143  ?   ?   -0.08   0.08  -0.01  -0.01 
1 1 1    3   33    0 o   10.540   0.8894   3.5777 -89.0000  -0.00  -0.41   0.00   0.00 
1 1 1    3   33    1 o   5.4119   1.0333   9.5798  130.100   0.06  -0.03  -0.00  -0.00 
1 1 1    3   33    2 o   11.595   1.2421   8.8602 -169.5000  -2.24   0.31  -0.07   0.18 
1 1 1    3   33    3 o   0.0000   3.0236  ?   ?    0.10  -0.14   0.03  -0.01 
1 1 1    3   33    4 o   7.3399   0.7809   9.8871 -63.3000  -1.08  -2.24  -0.28  -0.48 
1 1 1    3   33    5 o   4.1561   1.1662   12.745 -147.0000   0.36  -0.22  -0.00  -0.05 
1 1 1    3   33    6 o   0.0000   3.1581  ?   ?    0.19   0.07  -0.01   0.05 
1 1 1    3   33    7 o   12.591   0.5702   6.6053  179.600  -0.02   1.73   0.06  -0.20 
1 1 1    3   33    8 o   3.6377   1.1963   4.8940  153.900  -0.44  -0.22   0.04   0.07 
1 1 1    4    0    1 o   25.106   0.1780   30.297 -90.0000   0.00   0.08   0.00   0.00 
1 1 1    4    0    3 o   57.594   0.4471   50.185 -89.9000  -0.00  -0.76   0.00   0.00 
1 1 1    4    0    4 o   16.143   0.1807   2.9355  176.100   0.10   0.00   0.00   0.00 
1 1 1    4    0    5 o   33.371   0.2085   10.948 -89.3000  -0.00  -0.00   0.00   0.00 
1 1 1    4    0    6 o   62.400   0.3704   72.253  -0.1000  -0.10   0.00   0.00   0.00 
1 1 1    4    0    7 o   43.521   0.2763   61.611 -89.9000   0.00   0.30   0.00   0.00 
1 1 1    4    0    8 o   20.809   0.1669   21.929  179.500   0.20   0.00   0.00   0.00 
1 1 1    4    0    9 o   46.005   0.4051   41.385 -90.3000  -0.00  -0.61   0.00   0.00 
1 1 1    4    0   10 o   37.750   0.2552   22.946   0.6000  -0.32   0.00   0.00   0.00 
1 1 1    4    0   11 o   84.433   0.4951   69.938   89.700   0.00   0.49   0.00   0.00 
1 1 1    4    0   12 o   47.467   0.3160   75.941  -0.4000  -0.59   0.00   0.00   0.00 
1 1 1    4    0   13 o   6.3561   0.2930   19.689 -88.8000   0.00   0.09   0.00   0.00 
1 1 1    4    0   14 o   25.898   0.2277   16.882  -0.5000   0.41   0.00   0.00   0.00 
1 1 1    4    0   15 o   47.488   0.3128   32.694 -89.2000  -0.00  -0.00   0.00   0.00 
1 1 1    4    0   16 o   9.0333   0.2634   1.4326  175.000  -0.12   0.00   0.00   0.00 
1 1 1    4    0   17 o   76.047   0.4627   80.606 -90.4000  -0.00  -0.14   0.00   0.00 
1 1 1    4    0   18 o   47.203   0.3282   41.671 -179.6000   0.20   0.00   0.00   0.00 
1 1 1    4    0   19 o  124.043   0.7166  146.267   89.800   0.00   0.65   0.00   0.00 
1 1 1    4    0   20 o   6.2048   0.4845   13.836  -3.3000  -0.01   0.00   0.00   0.00 
1 1 1    4    0   21 o   69.408   0.4452   59.813 -90.2000  -0.00  -0.07   0.00   0.00 
1 1 1    4    0   22 o  134.947   0.7806  127.854  -0.2000  -0.04   0.00   0.00   0.00 
1 1 1    4    0   23 f   67.815   0.4468   46.389 -90.6000   0.00   0.09   0.00   0.00 
1 1 1    4    0   24 o   94.623   0.5746   64.262 -179.8000  -0.45   0.00   0.00   0.00 
1 1 1    4    0   25 f   81.748   0.5480   84.804 -90.0000   0.00   0.26   0.00   0.00 
1 1 1    4    0   26 o   13.925   0.4350   23.264   0.0000   0.04   0.00   0.00   0.00 
1 1 1    4    0   27 o   77.468   0.5117   79.194   90.000   0.00   0.26   0.00   0.00 
1 1 1    4    0   28 o   35.905   0.3106   45.663 -179.7000   0.14   0.00   0.00   0.00 
1 1 1    4    0   29 o   26.038   0.2943   28.550 -90.0000   0.00   0.15   0.00   0.00 
1 1 1    4    0   30 o   12.402   0.3831   23.462  -0.0000   0.09   0.00   0.00   0.00 
1 1 1    4    0   31 o   19.483   0.3107   1.3608 -94.6000  -0.00  -0.28   0.00   0.00 
1 1 1    4    0   32 o   39.619   0.3329   35.962  179.800   0.59   0.00   0.00   0.00 
1 1 1    4    0   33 o   57.640   0.4356   57.139 -90.0000   0.00   0.53   0.00   0.00 
1 1 1    4    0   34 o   35.377   0.3388   30.060   0.1000  -0.56   0.00   0.00   0.00 
1 1 1    4    0   35 o   4.9194   0.8178   7.9321   90.500  -0.00  -0.06   0.00   0.00 
1 1 1    4    0   36 o   23.761   0.3300   23.821   0.1000   0.26   0.00   0.00   0.00 
1 1 1    4    0   37 f   21.686   0.3315   21.355 -90.1000  -0.00  -0.13   0.00   0.00 
1 1 1    4    0   38 o   16.592   0.3799   19.497   0.2000   0.21   0.00   0.00   0.00 
1 1 1    4    0   39 o   26.285   0.3288   24.975 -90.2000  -0.00  -0.30   0.00   0.00 
1 1 1    4    0   40 o   20.216   0.3787   23.762  180.000  -0.35   0.00   0.00   0.00 
1 1 1    4    0   41 o   17.632   0.4371   10.535   89.500   0.00   0.36   0.00   0.00 
1 1 1    4    1    0 o   60.480   0.5132   83.110 -179.9000   0.84   0.00   0.00   0.00 
1 1 1    4    1    1 o   44.303   3.9085   42.754 -107.3000 -30.17 -49.36   6.15 -12.75 
1 1 1    4    1    3 o   72.642   2.3904   72.189 -79.3000  19.50 -16.74  -2.24   9.40 
1 1 1    4    1    4 o   44.355   0.4379   53.267  -6.5000   1.00   2.14   0.92  -1.81 
1 1 1    4    1    5 o   72.816   0.4600   77.996  153.100   0.78   4.08   1.63  -1.14 
1 1 1    4    1    6 o   48.097   1.0274   59.784  105.300 -10.43  -0.70  -4.71  -0.23 
1 1 1    4    1    7 o   66.597   0.2888   66.926 -144.9000  -0.64   1.75   0.92   2.06 
1 1 1    4    1    8 o   10.528   1.9622   7.5549  171.900 -26.87   6.39  -8.33   4.11 
1 1 1    4    1    9 o   87.261   1.7690   90.715   61.100   2.80  13.35   3.30  -1.91 
1 1 1    4    1   10 o  102.000   0.7946  114.032 -112.2000 -17.34   1.30 -12.48   7.28 
1 1 1    4    1   11 f   71.424   1.0608   83.798  164.700  -2.70   5.09   1.29   1.17 
1 1 1    4    1   12 o   35.786   0.9779   39.572  120.700  -1.81   1.11  -0.80   0.91 
1 1 1    4    1   13 o   26.452   0.1583   20.078  153.100  -0.32   0.32   0.01   0.05 
1 1 1    4    1   14 o   33.452   2.2195   39.401 -154.4000 -19.43  20.16  -0.57  13.88 
1 1 1    4    1   15 o   43.539   2.4122   35.086  -5.8000  42.43  12.11  -6.87  -4.03 
1 1 1    4    1   16 o   41.714   1.0087   39.624 -81.2000  -1.55  -0.09  -4.93  28.98 
1 1 1    4    1   17 o   65.391   2.5521   57.712 -164.5000 -15.93 -12.54  -1.67 -10.29 
1 1 1    4    1   18 o   85.074   3.5773   60.854 -156.9000 -37.69 -32.88  -1.42 -17.38 
1 1 1    4    1   19 o   22.457   1.5166   38.580   68.500  -4.58  14.31   4.46   3.29 
1 1 1    4    1   20 o   80.361   1.0993   93.196   90.100 -13.50   6.86  -2.45   3.90 
1 1 1    4    1   21 o   43.535   2.0475   37.405 -160.8000 -22.80 -10.00  -4.81  -5.51 
1 1 1    4    1   22 f   37.030   0.9290   37.760  137.800  -6.48   2.61  -1.96   1.63 
1 1 1    4    1   23 o   57.472   0.4060   53.138   86.500  -0.23   0.34   0.13   0.15 
1 1 1    4    1   24 o   58.129   0.3064   68.242   73.400   1.92  -0.15  -0.40  -0.00 
1 1 1    4    1   25 o   49.723   1.6916   22.143  113.200   9.17  15.94   3.44  -5.20 
1 1 1    4    1   26 o   26.925   0.2325   33.429  125.600  -0.03   0.43   0.47   0.38 
1 1 1    4    1   27 o   55.711   1.0065   36.507 -14.5000   4.05  -9.61   2.83   3.58 
1 1 1    4    1   28 o   63.946   0.4019   45.188 -63.5000   4.23   0.47  -4.91   1.00 
1 1 1    4    1   29 o   25.575   0.6013   31.889   4.3000   5.51  -8.21   0.96   2.05 
1 1 1    4    1   30 o   52.924   0.8867   47.281 -92.7000   1.88  -5.92   1.90   2.26 
1 1 1    4    1   31 o   46.034   1.6705   43.186   20.500   8.08  27.37   7.38  -3.85 
1 1 1    4    1   32 o   37.657   0.6898   27.813   80.200   6.30   0.58  -1.76  -0.71 
1 1 1    4    1   33 o   19.659   1.5262   15.698 -179.7000 -28.24  14.63  -4.56   7.15 
1 1 1    4    1   34 o   19.593   0.2216   22.246   86.200   0.06   0.47   0.27   0.13 
1 1 1    4    1   35 o   19.041   0.2315   12.609   24.000   0.08  -0.19   0.05  -0.01 
1 1 1    4    1   36 o   7.1466   2.0752   11.217   40.000  10.12  -3.14  -1.67   1.26 
1 1 1    4    1   37 o   20.178   1.4773   15.688 -143.6000 -21.29 -20.12  -0.73  -5.81 
1 1 1    4    1   38 f   24.929   0.3849   23.923 -61.8000 -14.46  -6.30 -13.95  -7.79 
1 1 1    4    1   39 o   18.040   0.3148   15.069 -42.6000   0.26  -0.80   0.07   0.16 
1 1 1    4    1   40 o   9.4051   0.4054   8.8005   73.100  -2.04   0.13  -2.00  -0.84 
1 1 1    4    1   41 o   9.6492   0.4924   14.463 -24.7000  -0.42  -0.01   0.63  -0.12 
1 1 1    4    2    1 o   38.649   1.2927   26.604   87.700   7.19   7.64  -0.02  -4.35 
1 1 1    4    2    3 o   74.465   3.4529   61.487 -112.0000 -31.66 -14.65  -5.99  -6.26 
1 1 1    4    2    4 o   43.036   0.9969   33.294 -46.9000   1.22   1.49   0.02  -0.15 
1 1 1    4    2    5 f   34.786   4.5369   30.398   29.500  18.64  95.73  24.59 -10.40 
1 1 1    4    2    6 o   97.621   2.1766   91.131  108.700  -6.58  14.14   3.51   3.01 
1 1 1    4    2    7 o  102.678   3.6886  106.780  163.300 -20.45  -2.35  -6.28  -2.77 
1 1 1    4    2    8 f   60.705   3.1638   49.236 -112.0000  -9.74 -44.43  10.71  -5.43 
1 1 1    4    2    9 o  130.361   2.0598  128.668 -36.5000   0.87  -2.54   0.00   0.00 
1 1 1    4    2   10 o   30.105   1.5634   57.907 -138.5000 -22.56   6.85 -11.06   8.51 
1 1 1    4    2   11 o   43.158   2.5159   43.288  133.700  20.79  43.67  10.50 -14.41 
1 1 1    4    2   12 o   9.3123   0.8821   6.3842 -142.5000   2.76   2.56  -0.10  -0.93 
1 1 1    4    2   13 o   26.108   0.3554   21.244 -14.2000  -0.06  -0.17   0.09   0.02 
1 1 1    4    2   14 o   44.745   4.1108   60.640   29.900   9.87 103.05  35.42  -5.17 
1 1 1    4    2   15 o   40.559   2.4037   45.088 -52.5000   9.87 -22.13   5.11   6.23 
1 1 1    4    2   16 o   69.619   2.2551   91.890 -110.3000  19.03 -18.26  -5.39  28.85 
1 1 1    4    2   17 f   17.609   0.4531   18.664 -13.4000   0.73   1.77   2.73  -2.15 
1 1 1    4    2   18 o   44.132   0.9991   43.351   87.400  -3.42   2.48  -1.26   2.66 
1 1 1    4    2   19 o   65.440   0.3851   82.445  114.700   0.42   0.30  -3.27   0.06 
1 1 1    4    2   20 o   23.780   0.6935   20.228  157.000  -2.87   0.81  -1.00   0.55 
1 1 1    4    2   21 o   20.393   0.4908   11.970 -176.8000  -2.88  -0.67  -1.24  -0.55 
1 1 1    4    2   22 o   82.912   1.6125   88.192  -1.4000   9.45 -10.48   1.24   5.32 
1 1 1    4    2   23 o   47.928   1.4228   60.211 -14.1000   1.34 -38.83  22.24   0.80 
1 1 1    4    2   24 o   52.399   0.9524   55.778  166.700  -6.55   2.86  -1.24   1.60 
1 1 1    4    2   25 o   42.246   0.2950   48.929 -172.8000  -0.49  -0.50  -0.18  -0.37 
1 1 1    4    2   26 o   10.488   1.3628   26.838   33.000   7.42  -2.91  -1.46   1.41 
1 1 1    4    2   27 o   45.916   1.0349   35.135  124.800 -11.69   5.57  -2.52   3.56 
1 1 1    4    2   28 o   34.117   0.8594   28.924  176.600  -3.91  -5.88   1.70  -3.10 
1 1 1    4    2   29 o   32.211   0.8967   33.401   26.300  20.39 -18.93  -0.30   9.92 
1 1 1    4    2   30 o   22.269   0.5658   16.874  -3.4000   1.54  -2.94   0.68   1.34 
1 1 1    4    2   31 o   51.843   0.2896   48.338  141.600   1.54   0.07  -0.16  -3.55 
1 1 1    4    2   32 o   48.719   1.0695   45.419 -173.8000 -10.94  -1.76  -2.44  -1.35 
1 1 1    4    2   33 o   33.469   0.5655   38.008 -94.0000  -4.73  -1.17  -1.29  -1.13 
1 1 1    4    2   34 o   18.559   0.4698   11.595  -4.9000   1.22  -6.84   3.03   1.65 
1 1 1    4    2   35 o   12.172   0.7462   10.956   13.200   1.55  -0.20  -0.12   0.05 
1 1 1    4    2   36 o   4.2374   0.6948   5.3256 -112.1000   0.93  -0.90   0.35   1.26 
1 1 1    4    2   37 o   1.6010   1.0982   7.1252   81.100  -0.04  -0.09   0.10   0.03 
1 1 1    4    2   38 o   10.379   0.3720   10.755   91.300   1.45  -0.39  -1.62  -0.01 
1 1 1    4    2   39 o   13.925   0.4560   15.901 -134.2000  -2.70   2.03   0.08   1.66 
1 1 1    4    2   40 o   20.119   0.2680   20.855 -166.6000  -0.89  -3.39   3.58   0.61 
1 1 1    4    2   41 o   21.849   0.7713   20.358  163.900  -6.56  -1.75  -1.01  -1.11 
1 1 1    4    3    0 o   67.006   0.4573   68.094  179.900   0.66   0.00   0.00   0.00 
1 1 1    4    3    1 o   72.093   2.6134   69.374  155.200 -20.35   9.21  -3.30   3.31 
1 1 1    4    3    2 o   42.353   3.2888   43.937 -72.9000   6.37 -33.94   6.56   2.77 
1 1 1    4    3    4 o   84.146   1.1530   81.348   35.100   1.41  -0.92  -0.42   0.41 
1 1 1    4    3    5 f   67.799   0.4228   76.355   69.600   0.10   0.27  -0.61   0.64 
1 1 1    4    3    6 o   53.031   4.1688   72.422   99.500 -43.13  58.50   5.02  17.84 
1 1 1    4    3    7 o  103.906   1.0202  113.454 -96.0000  -1.00  -5.06   1.32  -1.20 
1 1 1    4    3    8 o   65.767   2.0354   60.652   43.100 -20.40  24.85   2.63  22.68 
1 1 1    4    3    9 o   40.837   0.9688   25.939   21.000   2.58  -0.03  -0.34   0.03 
1 1 1    4    3   10 o   21.304   1.3679   17.341 -27.1000   4.63 -17.62   9.44   6.03 
1 1 1    4    3   11 o   14.375   0.6865   16.427 -104.2000  -1.12  -2.23   0.51  -0.81 
1 1 1    4    3   12 o   35.123   2.2128   31.874  117.000  27.65  29.01   0.01 -15.24 
1 1 1    4    3   13 o   7.5402   0.3587   5.6871  152.000  -0.35  -4.91   9.58  -2.34 
1 1 1    4    3   14 o   8.0931   0.3275   7.0036 -10.4000  -0.46   3.14   7.29   3.32 
1 1 1    4    3   15 o   21.925   1.9544   20.577 -148.6000 -11.75 -10.86  -0.18  -3.28 
1 1 1    4    3   16 f   38.174   1.5298   55.873 -136.7000 -35.03  22.72  -7.65  19.07 
1 1 1    4    3   17 o   36.089   1.3506   44.376 -55.3000   3.81 -11.84   2.06   1.38 
1 1 1    4    3   18 o   17.516   1.0589   18.610 -43.6000   6.92  -0.59  -1.37   0.26 
1 1 1    4    3   19 o   76.829   0.3380   76.589 -71.9000 -13.94  -7.69 -10.68 -13.47 
1 1 1    4    3   20 o   22.558   0.5918   35.992   76.500  -0.73   1.89   0.45   0.45 
1 1 1    4    3   21 o   44.233   2.6796   39.264 -152.3000 -23.06 -27.71   2.22 -10.11 
1 1 1    4    3   22 o   42.691   0.2303   51.453 -12.1000   0.35  -0.33   0.06   0.21 
1 1 1    4    3   23 o   74.475   0.9226   67.859   36.100   6.03   0.96  -0.94  -0.23 
1 1 1    4    3   24 o   12.939   4.0269   10.806 -120.3000  22.82 -28.79   1.24   5.46 
1 1 1    4    3   25 o   18.854   0.4397   13.941   44.700  -1.40  -2.89   1.93  -3.33 
1 1 1    4    3   26 o   71.077   0.3375   67.770 -98.8000   0.73  -0.52  -1.23   0.41 
1 1 1    4    3   27 f   49.810   0.9476   49.173 -144.0000  -0.01  -9.98   6.51   0.74 
1 1 1    4    3   28 o   38.077   0.2254   26.116 -100.6000  -0.46  -1.92   0.67  -0.53 
1 1 1    4    3   29 o   11.199   0.2996   16.040 -20.1000   5.32   7.22   3.17 -13.25 
1 1 1    4    3   30 o   69.892   0.3689   68.517 -87.0000   0.46  -1.13  -0.66   1.11 
1 1 1    4    3   31 f   30.483   1.5361   36.121   73.300   3.56  22.29   5.86  -1.52 
1 1 1    4    3   32 o   30.358   1.0257   32.135   64.700   1.23  12.30   3.98  -0.33 
1 1 1    4    3   33 o   19.501   2.0861   23.180  149.800 -36.58  41.77   2.55  14.63 
1 1 1    4    3   34 o   5.9367   0.9469   4.2540  109.800  -4.39  -0.77  -1.05  -0.46 
1 1 1    4    3   35 o   16.517   0.4194   12.561  120.000   5.98   4.80  -5.44  -8.53 
1 1 1    4    3   36 o   21.939   0.2244   25.076  121.700   0.49   1.55  -1.21  -4.17 
1 1 1    4    3   37 o   5.6654   0.7116   6.2306 -140.2000  -1.43  -3.04   0.77  -1.32 
1 1 1    4    3   38 o   26.636   0.2318   27.977 -68.8000   1.22  -1.60  -9.36  -4.75 
1 1 1    4    3   39 f   10.195   0.5439   9.3824 -94.9000  -1.09  -0.32  -0.09  -0.09 
1 1 1    4    3   40 o   11.098   0.6745   12.415   86.000   5.72  -1.27  -1.70   1.23 
1 1 1    4    4    0 o   14.146   0.1746   32.859  -0.4000   0.11   0.00   0.00   0.00 
1 1 1    4    4    1 f   38.263   2.9329   42.541  138.400 -37.45  13.54  -9.07   7.13 
1 1 1    4    4    2 o   46.492   2.0583   59.143  177.500 -10.56 -14.65   2.48  -6.23 
1 1 1    4    4    3 o   48.276   5.1962   53.564 -55.1000   5.20 -104.91  25.61   2.02 
1 1 1    4    4    4 o   49.718   1.2454   39.851   17.700   8.21  -1.88  -1.82   1.05 
1 1 1    4    4    5 o   48.864   1.4479   56.094  -7.1000   1.23 -14.39   7.37   1.84 
1 1 1    4    4    6 f  119.243   1.3540   97.829   99.500  -0.31  -0.24   0.00   0.00 
1 1 1    4    4    7 o   43.503   0.9000   40.752 -99.5000  16.47 -15.85   0.34  15.62 
1 1 1    4    4    8 o   9.8408   2.1700   11.651   71.600 -22.67  21.76  -0.48   9.87 
1 1 1    4    4    9 o   68.708   2.9610   72.420 -83.9000 -34.05 -35.05  -0.71 -14.36 
1 1 1    4    4   10 o   54.793   2.6473   63.411  156.400 -23.26   6.86  -4.51   3.43 
1 1 1    4    4   11 o   58.715   3.6147   56.876 -139.4000 -37.19 -27.53  -2.31  -9.49 
1 1 1    4    4   12 o   68.438   2.3975   70.769   57.300  -0.96  28.21   6.99  -0.36 
1 1 1    4    4   13 o   25.674   2.2495   27.449   59.900  10.83  28.82   9.11  -7.22 
1 1 1    4    4   14 o   77.510   2.7211   74.205   2.3000  49.57 -49.48   1.84  30.27 
1 1 1    4    4   15 o   41.584   0.4556   28.486 -160.2000  -1.68  -1.00  -0.31  -0.41 
1 1 1    4    4   16 o   36.881   0.4033   42.569 -171.0000  -2.27   2.49   0.61   2.75 
1 1 1    4    4   17 o   68.283   1.5364   65.989  148.000   4.56  12.59   5.19  -3.55 
1 1 1    4    4   18 o   47.196   0.4308   38.437   14.500  -1.28   3.35   0.78   0.61 
1 1 1    4    4   19 o   35.739   0.8754   41.062 -155.0000 -17.39  13.54  -3.61  16.54 
1 1 1    4    4   20 o   18.382   1.0257   17.629   54.800   5.06   3.09  -0.67  -1.37 
1 1 1    4    4   21 o   31.335   3.0437   44.636  141.300 -22.11  40.00   6.35   9.68 
1 1 1    4    4   22 o   81.426   0.5749   82.654 -62.2000   1.00  -1.66   0.25   0.28 
1 1 1    4    4   23 o   24.888   0.6822   23.241 -119.6000  -5.60   1.97  -1.76   1.32 
1 1 1    4    4   24 o   18.491   2.4136   24.850  179.100 -25.93  14.35  -3.74   6.16 
1 1 1    4    4   25 f   30.766   0.7079   28.057  154.200  -0.46   2.48   0.79   0.19 
1 1 1    4    4   26 o   24.374   0.6743   11.049   16.600  -5.83   2.13  -2.18   1.62 
1 1 1    4    4   27 o   52.998   2.2854   48.828  162.700 -35.49  28.33  -2.08  11.82 
1 1 1    4    4   28 o   12.676   0.4044   16.017  137.400  -3.90  -0.24  -2.39  -0.46 
1 1 1    4    4   29 o   10.902   1.1812   16.600   28.200  26.82  -9.96  -8.07   7.19 
1 1 1    4    4   30 o   23.535   0.3857   25.247 -29.5000   1.97   1.59   0.20  -3.21 
1 1 1    4    4   31 o   24.672   0.4816   38.958  139.200  -4.34   2.08  -0.85   1.49 
1 1 1    4    4   32 o   25.502   0.2127   18.292  145.700  -0.05   2.06   1.16  -0.36 
1 1 1    4    4   33 o   10.748   0.3147   12.125 -150.5000   1.83  -2.48   0.20   4.60 
1 1 1    4    4   34 f   12.545   0.9590   9.5030   8.4000   7.65  -6.71  -0.50   2.49 
1 1 1    4    4   35 o   28.275   0.5956   32.654   35.800   7.14  -1.32  -2.69   2.43 
1 1 1    4    4   36 o   9.5243   1.0291   5.5384 -30.7000   7.96  -5.09  -0.99   2.74 
1 1 1    4    4   37 o   28.802   0.6744   32.923   86.200  -7.71   6.47  -1.60   3.65 
1 1 1    4    4   38 o   13.282   0.3167   12.443   7.3000   0.37  -0.93   0.18   0.54 
1 1 1    4    4   39 o   20.203   0.2386   17.598  133.600   0.76   0.02   1.22  -0.94 
1 1 1    4    4   40 o   10.842   0.6443   8.6183   39.300   1.58   0.75  -0.25  -0.18 
1 1 1    4    5    0 o   2.4698   0.3817   2.4482 -173.5000   0.00   0.00   0.00   0.00 
1 1 1    4    5    1 o   72.822   1.5070   57.108  144.600 -12.37   0.12  -5.97  -0.65 
1 1 1    4    5    2 f   52.933   0.5623   59.090  145.300   1.18   6.25   4.93  -3.00 
1 1 1    4    5    3 o   50.532   0.7782   54.622  -0.9000   2.79   4.08   3.68  -5.56 
1 1 1    4    5    4 o   43.803   0.1978   42.900 -60.0000  -1.56  -0.21  -3.25   0.44 
1 1 1    4    5    5 o   18.648   1.9416   37.170 -162.6000 -20.45 -18.60  -0.87 -11.28 
1 1 1    4    5    6 o   25.887   2.7305   28.176   93.600  16.55  42.59   8.71  -8.22 
1 1 1    4    5    7 f   17.275   1.8506   20.902   2.9000   7.98  17.27   3.37  -3.83 
1 1 1    4    5    8 o   46.586   0.4633   27.501   77.800   5.82  -1.23 -11.18   0.51 
1 1 1    4    5    9 o   12.353   0.5690   8.7545 -22.0000   2.36  -5.39   3.72   3.53 
1 1 1    4    5   10 o   38.925   0.7557   37.811 -62.2000   7.67  -0.74 -12.89  -0.80 
1 1 1    4    5   11 o   38.571   1.6333   26.715 -92.4000   5.80  -7.90   0.47   2.04 
1 1 1    4    5   12 o   28.303   1.4898   15.616  172.500  -8.83   7.69  -0.61   2.88 
1 1 1    4    5   13 o   26.324   2.4234   19.966 -74.6000  -6.70 -24.21   4.31  -2.83 
1 1 1    4    5   14 o   26.432   1.8538   18.927 -87.0000  -0.75 -25.62   7.72  -0.66 
1 1 1    4    5   15 o   9.4021   2.7918   10.608 -47.8000  20.79 -27.19   1.50   5.67 
1 1 1    4    5   16 o  101.666   0.4246  109.250 -156.2000  -0.52  -0.47   0.05  -0.14 
1 1 1    4    5   17 f   34.338   0.9654   32.311   9.1000   4.21  -7.77   3.28   4.40 
1 1 1    4    5   18 o   39.616   1.1202   45.109   38.400   1.71   7.52   1.93  -0.84 
1 1 1    4    5   19 o   33.985   3.0062   26.548 -86.4000 -78.73 -10.66 -25.91  -6.81 
1 1 1    4    5   20 o   19.998   0.5181   33.264  111.600  -2.26   0.55  -0.96   0.44 
1 1 1    4    5   21 o   35.644   2.3451   25.513   57.600   8.39  20.74   3.10  -3.17 
1 1 1    4    5   22 o   87.742   0.3778   95.191 -21.8000   0.84  -6.78   2.65   0.28 
1 1 1    4    5   23 o   19.539   1.2093   18.434   7.4000  20.94  -1.64  -6.04   1.03 
1 1 1    4    5   24 o   28.073   0.2941   15.679 -67.9000  -0.11  -0.98   0.56  -0.03 
1 1 1    4    5   25 o   22.533   0.2484   23.751 -52.1000  -1.70  -0.96  -3.12  -2.89 
1 1 1    4    5   26 o   50.401   2.4457   53.678  -7.2000  54.17 -52.24  -0.13  25.72 
1 1 1    4    5   27 o   53.133   1.1378   51.958 -117.6000  -2.46  -9.83   2.50  -1.01 
1 1 1    4    5   28 o   20.771   0.9580   31.284 -145.2000 -15.36 -10.33  -1.57  -4.19 
1 1 1    4    5   29 o   15.398   0.9641   8.6606  151.600  -9.97 -10.63   0.90  -7.77 
1 1 1    4    5   30 o   44.497   1.5697   50.331 -67.3000  -0.49 -21.30   5.11   0.25 
1 1 1    4    5   31 o   19.032   1.0746   8.5661   90.200  -0.28  26.61  18.20   1.74 
1 1 1    4    5   32 o   16.420   0.9404   20.659   47.200   7.38   6.44  -0.16  -2.35 
1 1 1    4    5   33 f   33.540   0.5103   33.234 -166.5000  -3.92   3.01   0.05   1.93 
1 1 1    4    5   34 o   13.890   0.2710   19.360 -19.9000  -0.42   0.14  -0.07   0.12 
1 1 1    4    5   35 f   36.022   1.0696   34.332  146.800 -22.05  -6.98  -8.06 -10.17 
1 1 1    4    5   36 o   8.7180   0.4159   11.163  142.500  -0.11   1.97   1.41  -0.25 
1 1 1    4    5   37 o   10.593   0.6700   11.758  174.100  -0.71  -4.52   1.36  -0.71 
1 1 1    4    5   38 o   19.657   0.3730   19.780 -72.0000  -0.86  -1.74   0.06  -1.85 
1 1 1    4    5   39 o   2.8783   0.9022   3.8890 -151.4000   0.39   0.06  -0.10   0.00 
1 1 1    4    5   40 o   3.0134   1.4526   4.8744 -131.5000   0.40  -0.99   0.20   0.12 
1 1 1    4    6    0 o   9.9900   0.1577   18.361  -0.9000   0.06   0.00   0.00   0.00 
1 1 1    4    6    1 o   41.675   1.2181   32.664   56.700   4.67  11.93   3.83  -3.16 
1 1 1    4    6    2 o   37.810   1.5045   31.479   74.700  32.30   7.94 -21.69 -10.16 
1 1 1    4    6    3 o   85.739   0.4290   70.883   84.700   0.78  -1.07  -5.71   1.48 
1 1 1    4    6    4 f   69.056   0.2959   58.365 -57.9000   6.10   2.17  -9.21 -17.46 
1 1 1    4    6    5 o   74.129   3.1394   63.910  133.000  -0.01  59.91  21.80  -1.09 
1 1 1    4    6    6 f   47.068   0.8440   78.583 -41.6000   3.46   2.10  -0.82  -2.39 
1 1 1    4    6    7 o   88.776   0.8355   84.348   55.700  10.10  -5.63  -1.31  14.65 
1 1 1    4    6    8 o   41.857   4.7034   49.869  147.000 -106.01   7.90 -29.69   3.52 
1 1 1    4    6    9 o   46.629   2.2759   40.824 -170.8000 -16.22  -3.03  -3.01  -0.92 
1 1 1    4    6   10 o   47.635   2.7101   51.865  151.000 -28.97   5.35  -8.45   2.58 
1 1 1    4    6   11 o   38.386   0.8563   40.687   28.300   3.07  -3.59   0.00   1.15 
1 1 1    4    6   12 o   44.879   3.6178   45.606 -86.7000  47.68 -62.78   4.78  21.01 
1 1 1    4    6   13 o   30.242   0.3719   20.982  108.900  -1.93  -0.13  -2.86   0.32 
1 1 1    4    6   14 o   18.467   1.0761   12.654  -7.1000  12.27  -1.08  -5.98   1.27 
1 1 1    4    6   15 o   73.898   1.7967   66.581 -139.3000  -8.86 -12.99   1.28  -2.75 
1 1 1    4    6   16 o   79.258   1.1196   73.260   67.900   2.23   2.82  -0.04  -2.17 
1 1 1    4    6   17 o   41.285   0.8307   54.519   43.400   7.53  -3.29  -3.76   4.59 
1 1 1    4    6   18 f   32.535   0.7116   28.742   32.000   4.43  -3.85  -0.48   2.57 
1 1 1    4    6   19 o   57.234   0.6154   41.322 -99.2000  -0.62  -1.35   0.21  -0.19 
1 1 1    4    6   20 f   22.655   0.2241   22.548 -114.6000  -0.71   0.02  -0.53  -0.07 
1 1 1    4    6   21 o   74.662   0.3351   72.306   30.900   0.65  -0.13   0.15   1.29 
1 1 1    4    6   22 o   18.973   0.1996   10.024   92.300   0.10   0.15  -3.16  -2.67 
1 1 1    4    6   23 f   58.354   1.7629   53.080  135.700  -9.83   9.74  -0.23   3.05 
1 1 1    4    6   24 f   42.361   0.7260   33.639  116.400  -0.85   1.29   0.20   0.30 
1 1 1    4    6   25 o   32.243   0.2179   28.639 -61.8000   0.32   0.01  -0.30  -0.82 
1 1 1    4    6   26 o   19.224   0.2212   18.943   29.900   1.55  -0.50  -3.15   1.43 
1 1 1    4    6   27 o   33.342   2.3857   40.612  120.100 -32.47  35.85   1.40  11.10 
1 1 1    4    6   28 o   29.494   1.4814   25.871   64.500  34.13  14.40  -6.55  -7.14 
1 1 1    4    6   29 o   10.608   1.7000   10.983 -50.6000  30.06 -10.62  -9.29   7.84 
1 1 1    4    6   30 o   32.115   0.6269   35.704 -72.4000   0.46 -10.55   2.98  -0.04 
1 1 1    4    6   31 o   8.2409   0.7404   12.496 -36.0000   2.97  -1.37  -0.35   0.46 
1 1 1    4    6   32 o   26.442   0.4736   23.599  147.700  -0.15   0.57   0.10   0.46 
1 1 1    4    6   33 o   20.028   0.3825   14.257 -94.9000   1.97  -1.13  -5.29   2.05 
1 1 1    4    6   34 o   17.810   0.8854   10.201   78.400   8.81   4.27  -1.45  -2.22 
1 1 1    4    6   35 f   26.461   0.2875   21.830 -25.9000   1.12  -0.93   0.11   0.37 
1 1 1    4    6   36 o   11.343   0.6298   11.466   39.600  -0.43   3.45   0.59   0.23 
1 1 1    4    6   37 o   14.331   0.2784   15.135 -176.0000  -0.36   0.60   0.42   0.15 
1 1 1    4    6   38 o   12.761   0.4611   11.425   2.1000  -0.68   0.39  -0.03   0.23 
1 1 1    4    6   39 o   14.160   0.3052   16.362 -79.6000   2.69  -1.49  -1.56   1.06 
1 1 1    4    6   40 o   10.774   0.3590   5.4816   60.600   0.84   0.26  -0.10  -0.24 
1 1 1    4    7    0 o   31.820   0.2216   40.066  -0.1000  -0.17   0.00   0.00   0.00 
1 1 1    4    7    1 o   82.778   1.0230   94.610   68.700   8.95   5.27  -1.51  -4.07 
1 1 1    4    7    2 o   7.5151   0.7695   6.8362   36.200  -1.87   2.64   0.29   0.77 
1 1 1    4    7    3 f   36.784   0.3342   18.789  134.700   5.16   1.34  -8.30  -6.82 
1 1 1    4    7    4 o   57.244   2.0417   60.552 -47.1000   1.67 -30.94  14.13   0.70 
1 1 1    4    7    5 o   79.475   5.1872   80.343  106.300  23.38 120.87  28.09 -12.34 
1 1 1    4    7    6 o   29.458   1.9417   34.469 -118.3000  -3.30 -21.77   6.16  -1.59 
1 1 1    4    7    7 o   25.796   0.1414   28.617   88.300  -0.05  -0.00   0.07   0.03 
1 1 1    4    7    8 o   65.652   1.1033   55.507   14.100   2.19   2.85  -0.15  -1.63 
1 1 1    4    7    9 o   38.044   1.6085   36.234  132.300  -3.67   4.77   0.14   0.80 
1 1 1    4    7   10 o   24.991   0.5128   30.865 -22.6000   1.33  -2.68   1.17   1.05 
1 1 1    4    7   11 o   45.053   3.2760   57.745 -106.8000  12.41 -54.50  12.75   7.04 
1 1 1    4    7   12 o   46.528   1.6875   46.571  178.600  -8.96   6.66  -0.79   1.85 
1 1 1    4    7   13 o   36.019   0.9223   34.000  164.800  -8.47  -4.10  -2.40  -3.55 
1 1 1    4    7   14 o   38.296   1.9283   39.460  140.800 -19.46  18.50  -0.10   8.09 
1 1 1    4    7   15 o   59.065   0.6592   54.158  102.700  -1.12   1.24   0.40   1.01 
1 1 1    4    7   16 o   13.920   0.1874   5.7095   21.000  -0.98  -1.39   1.26  -2.70 
1 1 1    4    7   17 o   99.543   1.3105   94.652   82.700  23.87   2.30 -26.27  -1.72 
1 1 1    4    7   18 o   23.014   0.8110   37.430 -29.5000  -1.44 -11.28   7.05  -2.07 
1 1 1    4    7   19 o   80.251   1.2224   59.754 -177.3000  -7.22   3.88  -1.22   2.33 
1 1 1    4    7   20 o   56.346   0.2592   40.166   12.200  -0.20   0.77   0.31   0.47 
1 1 1    4    7   21 o   71.774   0.6156   52.450 -51.1000   5.26  -1.61  -1.79   1.58 
1 1 1    4    7   22 o   52.735   0.4788   35.639 -128.7000  -0.19  -0.98   0.32  -0.07 
1 1 1    4    7   23 o   62.124   1.5324   68.423   6.0000  12.67  -5.88  -2.11   2.90 
1 1 1    4    7   24 o   29.106   1.5110   25.060 -57.0000   4.49  -8.92   1.20   1.80 
1 1 1    4    7   25 o   32.180   0.2763   26.698 -69.9000  -9.46  -5.29 -15.17 -18.75 
1 1 1    4    7   26 o   33.092   1.0139   34.518   33.000  -0.21  34.25  26.04   1.84 
1 1 1    4    7   27 o   16.887   0.6309   28.821 -39.3000   2.00  -0.00  -0.35   0.02 
1 1 1    4    7   28 o   10.900   0.8916   11.847 -172.7000 -13.04  15.26   2.03  10.92 
1 1 1    4    7   29 f   35.642   0.4410   31.435  138.400  -0.18   0.36  -1.39  -0.15 
1 1 1    4    7   30 o   34.883   1.5383   26.303 -131.4000  -9.09 -18.22   2.61  -3.02 
1 1 1    4    7   31 o   40.467   0.2415   37.830 -43.2000  -1.23  -4.89   2.59  -3.39 
1 1 1    4    7   32 o   14.046   0.8427   12.117  -1.7000   6.51 -21.95   9.79   5.57 
1 1 1    4    7   33 o   34.850   0.5684   36.661 -110.1000 -22.05  -3.81 -10.38  -1.98 
1 1 1    4    7   34 o   8.1999   1.1425   9.0046   53.000   0.67   4.30   0.65  -0.14 
1 1 1    4    7   35 o   26.087   0.2213   22.531  138.400  -0.14   0.07   0.03   0.03 
1 1 1    4    7   36 o   20.719   0.5100   20.288 -162.5000  -0.58  -8.93  11.11   2.33 
1 1 1    4    7   37 o   6.8841   0.4994   0.3559 -163.7000  -2.02  -1.41  -0.75  -1.09 
1 1 1    4    7   38 o   11.768   0.5334   9.0650 -134.2000   0.91   0.09  -0.08   0.00 
1 1 1    4    7   39 o   17.904   0.2704   14.205   32.300   0.18   0.18  -0.13   0.03 
1 1 1    4    7   40 o   16.461   0.9199   15.220 -113.1000  -0.12  -6.03   1.47  -0.51 
1 1 1    4    8    0 o   12.818   0.1656   12.552  -0.4000  -0.03   0.00   0.00   0.00 
1 1 1    4    8    1 o   64.763   1.3613   74.043   32.600  -2.44  23.82  14.24   4.30 
1 1 1    4    8    2 o   65.977   4.9054   58.568   48.500 117.09  30.71 -33.10 -16.52 
1 1 1    4    8    3 f   75.184   2.0365   69.655  159.500 -18.54   1.50  -5.41   1.73 
1 1 1    4    8    4 o   39.802   3.3583   33.535 -17.5000  50.39  -3.41 -12.90   1.22 
1 1 1    4    8    5 o   50.746   2.1667   73.067  176.600 -14.30  30.03   9.48   9.89 
1 1 1    4    8    6 o   24.122   1.4520   37.544 -117.1000  16.58 -16.27  -0.95  13.19 
1 1 1    4    8    7 o   41.192   1.9820   37.294   80.600  20.75  16.04  -1.59  -8.30 
1 1 1    4    8    8 o   25.192   2.2927   18.147  123.000   9.85  27.35   5.20  -4.69 
1 1 1    4    8    9 o   38.243   1.8569   33.151 -169.8000  -6.29 -17.89   4.67  -3.12 
1 1 1    4    8   10 o   17.425   1.3504   17.146   0.0000  -1.76  21.16  11.88   2.64 
1 1 1    4    8   11 o   85.626   1.1615   61.935   94.900   3.69   3.52  -0.64  -1.29 
1 1 1    4    8   12 o   62.575   1.4924   63.750 -82.6000 -36.98 -14.46 -22.01 -17.10 
1 1 1    4    8   13 o   60.296   0.3766   72.821   84.500   5.75   3.72  -3.52  -4.72 
1 1 1    4    8   14 o   56.256   1.4935   60.434 -58.4000   4.50  -7.61   0.85   1.35 
1 1 1    4    8   15 o   53.994   0.3681   56.772 -117.6000  -2.31   0.03  -1.20  -0.20 
1 1 1    4    8   16 f   51.900   1.2992   75.250   45.800  13.21  -4.57  -6.14   5.40 
1 1 1    4    8   17 o   12.489   0.8369   17.853 -81.6000   1.84  -5.10   1.42   1.14 
1 1 1    4    8   18 o   80.880   0.6301   77.950 -51.1000  -1.71  -3.93   1.77  -3.10 
1 1 1    4    8   19 o   11.601   0.2146   13.902   96.300  -0.58   0.64   0.16   0.79 
1 1 1    4    8   20 o   8.5731   1.5790   14.567 -42.2000   5.97  -2.70  -0.68   0.75 
1 1 1    4    8   21 o   47.961   0.2472   63.173  -2.3000   0.12   0.25   0.42  -0.08 
1 1 1    4    8   22 o   36.220   0.6061   28.854 -81.4000  -2.40  -2.42  -0.12  -1.28 
1 1 1    4    8   23 o   68.228   1.1686   68.172  101.800 -13.35   3.33  -7.30   2.77 
1 1 1    4    8   24 o   0.0000   2.4668  ?   ?    0.01   0.02   0.00   0.00 
1 1 1    4    8   25 o   19.732   0.2149   17.332   57.800   0.19  -0.05   3.88   1.54 
1 1 1    4    8   26 o   47.310   0.6225   50.933   14.000   1.65   6.75   1.92  -1.34 
1 1 1    4    8   27 o   67.127   0.9086   63.518   78.000  -7.93   7.95   0.85   4.25 
1 1 1    4    8   28 o   23.102   1.0288   23.646   21.300   9.71   0.96  -2.46  -0.66 
1 1 1    4    8   29 o   22.681   0.7670   24.923  -8.2000   3.48  -9.66   3.34   2.30 
1 1 1    4    8   30 o   13.582   0.9751   10.841 -177.4000 -17.82 -18.31   1.33 -15.89 
1 1 1    4    8   31 o   33.944   0.7767   34.969   2.5000   7.68   5.60  -0.42  -2.90 
1 1 1    4    8   32 o   26.656   0.8956   27.751 -129.0000  -5.13  -3.90  -0.17  -1.41 
1 1 1    4    8   33 o   15.355   1.0666   10.029 -19.1000  12.67  -7.73  -1.98   3.28 
1 1 1    4    8   34 o   23.408   1.3437   21.031 -74.7000  19.71  -4.81  -4.72   1.70 
1 1 1    4    8   35 o   3.2680   0.8206   2.3567 -63.7000  -0.93   0.06  -0.33  -0.02 
1 1 1    4    8   36 f   12.394   0.3949   6.4715  141.600  -0.48   2.47   0.57   0.11 
1 1 1    4    8   37 o   19.925   0.2408   23.583  136.700   1.78   1.28  -1.06  -0.98 
1 1 1    4    8   38 o   14.175   0.3193   7.9633 -90.5000   1.44   0.70  -1.89  -0.15 
1 1 1    4    8   39 o   19.716   0.2629   22.286 -57.7000   0.68  -0.60  -0.93  -0.01 
1 1 1    4    9    0 o   21.478   0.1846   10.252   0.4000  -0.05   0.00   0.00   0.00 
1 1 1    4    9    1 o   22.241   3.0546   29.547  142.600 -34.67  29.13  -2.37  11.87 
1 1 1    4    9    2 o   26.597   2.1568   14.014 -140.3000 -13.14  -8.26  -1.16  -2.20 
1 1 1    4    9    3 o   60.856   1.4505   64.586 -123.4000  -7.15  -6.76  -0.36  -1.92 
1 1 1    4    9    4 o   30.711   0.4615   39.034   41.200   9.96 -11.87  12.89  35.22 
1 1 1    4    9    5 o   72.083   0.7931   66.236   51.700  -2.56   4.54   1.07   1.03 
1 1 1    4    9    6 o   35.003   0.5132   44.754 -92.8000   5.32  -4.73  -3.59   9.92 
1 1 1    4    9    7 o   38.305   0.7984   50.448   73.100  -0.31   3.96   1.18   0.44 
1 1 1    4    9    8 o   9.8425   2.8800   15.771  123.200  37.51   6.75  -7.22  -2.57 
1 1 1    4    9    9 o   33.357   1.0848   27.417 -163.8000  -2.68   4.23   0.58   0.91 
1 1 1    4    9   10 f   59.382   1.7071   50.287  118.500 -11.36  16.45   1.54   5.16 
1 1 1    4    9   11 o   22.507   0.5209   29.500 -176.2000   0.46  -3.66   1.63   0.55 
1 1 1    4    9   12 o   72.580   0.3144   73.252   65.000  -0.90   0.41  -1.15  -0.01 
1 1 1    4    9   13 o   55.676   1.4964   65.139  163.100 -12.40  -0.18  -2.82  -0.24 
1 1 1    4    9   14 o   48.418   0.4541   41.227   50.200   3.53  -3.18  -0.60   2.59 
1 1 1    4    9   15 f   75.975   3.1092   66.438 -111.6000 -29.90 -34.44   1.38 -12.85 
1 1 1    4    9   16 o   60.337   1.8244   65.861 -136.4000 -12.13 -18.02   2.46  -5.47 
1 1 1    4    9   17 o   72.894   0.6749   59.244  116.800   1.76   2.18  -0.11  -2.38 
1 1 1    4    9   18 o   52.386   0.2751   37.933  152.700   0.28   1.49   0.73  -0.15 
1 1 1    4    9   19 o   33.450   1.6354   31.507  179.700 -29.38   1.43 -15.79   2.19 
1 1 1    4    9   20 o   26.583   2.0754   37.054 -120.6000 -33.48  15.75  -4.55   5.63 
1 1 1    4    9   21 f   55.398   1.2578   53.301 -68.7000  14.50 -12.72  -0.48   5.41 
1 1 1    4    9   22 o   76.230   1.6034   83.749 -130.7000  -1.45 -15.43   4.86  -0.42 
1 1 1    4    9   23 o   10.689   2.5943   21.848 -145.5000 -15.63 -14.28  -0.40  -5.17 
1 1 1    4    9   24 o   31.340   1.9603   31.134 -80.7000   5.64 -39.14   9.56   3.05 
1 1 1    4    9   25 o   19.740   1.3126   15.567 -174.1000 -15.95  -7.80  -2.50  -3.05 
1 1 1    4    9   26 o   27.129   1.9093   22.604 -69.4000  -5.79 -54.67  16.48  -3.95 
1 1 1    4    9   27 o   19.121   0.8698   12.501 -168.7000  -6.78   0.18  -1.27   0.01 
1 1 1    4    9   28 o   10.600   1.1696   21.955   37.800  13.94 -11.18  -1.84   7.21 
1 1 1    4    9   29 o   8.6042   0.3722   11.318   96.200  -0.01   0.76   1.88   0.91 
1 1 1    4    9   30 o   42.936   0.8919   40.022 -165.6000  -3.44 -16.66   7.69  -1.73 
1 1 1    4    9   31 o   19.740   0.7699   18.168 -76.4000  -0.20 -10.47   4.56   0.34 
1 1 1    4    9   32 o   27.176   1.4582   22.051 -34.7000   8.98 -29.43   6.26   3.56 
1 1 1    4    9   33 o   29.017   0.2232   28.322 -109.4000   0.38  -0.58  -1.07   0.46 
1 1 1    4    9   34 o   6.8273   0.5006   6.3506   91.000   0.51   0.27   0.01  -0.58 
1 1 1    4    9   35 f   10.678   1.3486   6.2957  128.300 -19.93   2.29  -5.59   0.92 
1 1 1    4    9   36 o   22.138   0.3684   23.329 -168.0000  -1.27  -2.33   5.42   0.28 
1 1 1    4    9   37 o   7.2767   0.5086   9.4290  177.200  -0.54  -0.61   0.09  -0.19 
1 1 1    4    9   38 o   9.0372   0.4516   1.5089 -43.0000   2.89  -1.40  -0.74   2.34 
1 1 1    4    9   39 o   14.815   0.3333   8.0455   53.500   0.17   0.07  -0.02   0.02 
1 1 1    4   10    0 o   83.507   0.4911   81.448  -0.2000  -0.71   0.00   0.00   0.00 
1 1 1    4   10    1 o   41.964   2.3931   41.237   43.100  11.98  28.85   5.86  -5.26 
1 1 1    4   10    2 f   16.428   0.6223   15.171  165.800  -7.03   2.68  -6.72   4.98 
1 1 1    4   10    3 f   24.705   2.1786   32.547  149.800 -28.36  20.58  -4.72  12.43 
1 1 1    4   10    4 o   52.721   3.1519   58.453   21.500  40.45  25.81  -4.80 -12.89 
1 1 1    4   10    5 f   31.611   0.2567   34.650   77.800  -1.63   0.80 -14.64  -9.47 
1 1 1    4   10    6 o   7.5868   0.6168   22.505 -19.8000   6.63   2.94  -4.41  -5.44 
1 1 1    4   10    7 o   16.288   2.8660   8.1029   60.900  37.17  32.00  -1.59 -12.38 
1 1 1    4   10    8 o   35.141   1.6782   38.128  162.000 -17.76 -13.84  -1.35  -8.17 
1 1 1    4   10    9 o   5.9107   1.1947   10.643 -129.9000 -11.20   5.41  -3.08   3.78 
1 1 1    4   10   10 o   26.554   1.0823   40.718  -5.1000   5.05   8.51   1.43  -2.37 
1 1 1    4   10   11 o   30.543   0.9382   18.484 -19.5000   5.89   1.90  -1.23  -1.00 
1 1 1    4   10   12 o   69.307   0.3016   53.026 -124.8000  -0.61  -0.44  -3.55   1.17 
1 1 1    4   10   13 o   25.687   0.1584   20.080 -58.0000   2.36   0.91  -3.59  -4.69 
1 1 1    4   10   14 o   39.352   2.9311   38.301 -50.5000  11.02 -56.73  13.27   5.57 
1 1 1    4   10   15 o   53.749   1.7381   42.946  177.500 -19.96  -4.22  -6.52  -2.59 
1 1 1    4   10   16 o   18.619   0.4700   11.699   12.700   1.99   1.13  -0.35  -0.65 
1 1 1    4   10   17 o   19.058   1.9811   21.080  153.400 -17.98  14.63  -0.96   4.41 
1 1 1    4   10   18 o   35.628   1.7719   29.801   92.700   4.60  17.84   3.76  -1.90 
1 1 1    4   10   19 o   0.9744   1.0320   4.1147   99.500   0.63   2.60   0.23  -0.12 
1 1 1    4   10   20 f   18.131   1.5096   30.405  105.300  -7.93  28.96   7.65   4.42 
1 1 1    4   10   21 o   36.965   1.6361   29.117 -120.9000  20.37 -15.80  -3.29  10.87 
1 1 1    4   10   22 o   20.902   0.6256   12.192 -169.8000   0.52  -1.37   0.24   0.27 
1 1 1    4   10   23 o   48.489   0.3012   53.751   80.800   0.08  -0.16   0.00   0.02 
1 1 1    4   10   24 f   39.546   1.4243   19.316 -10.6000  22.19 -12.25  -2.98   5.12 
1 1 1    4   10   25 o   18.703   0.6446   24.437  145.200  -5.84  -0.52  -1.58  -0.20 
1 1 1    4   10   26 o   15.370   1.7257   8.4638 -128.6000 -19.57 -39.90   6.78  -8.49 
1 1 1    4   10   27 o   59.163   0.9571   60.304  119.100  -1.74   9.06   2.95   0.47 
1 1 1    4   10   28 o   12.683   0.3138   5.4974   12.100   4.33   3.99   1.33 -13.47 
1 1 1    4   10   29 o   10.241   0.3259   1.2488 -148.1000  -0.92  -0.36  -0.22  -0.30 
1 1 1    4   10   30 o   8.7563   0.5763   17.808  112.800  -5.67  -2.41  -2.19  -2.77 
1 1 1    4   10   31 o   13.120   0.5627   9.2202  156.800  -4.08   1.91  -1.01   0.95 
1 1 1    4   10   32 o   10.963   1.6303   15.142 -51.9000  22.30 -19.50  -0.71   7.30 
1 1 1    4   10   33 o   7.1596   0.7455   6.1508   96.100   0.61   3.54   0.95  -0.51 
1 1 1    4   10   34 o   11.315   0.5617   6.4362 -95.8000   4.18   0.42  -1.26  -0.47 
1 1 1    4   10   35 o   15.236   0.2780   17.541  148.700  -0.23   0.74   0.08   0.11 
1 1 1    4   10   36 o   20.280   0.2516   20.988  143.500  -0.93   0.23  -0.25  -2.06 
1 1 1    4   10   37 o   17.776   0.6080   16.512   82.200   1.74   2.10   0.64  -0.90 
1 1 1    4   10   38 o   3.6222   0.9471   8.3407  148.100  -0.94   0.66  -0.29   0.34 
1 1 1    4   10   39 o   17.979   0.7173   16.112 -66.8000  -0.97  -8.23   1.33  -0.67 
1 1 1    4   11    0 o   6.9426   0.2702   20.500  177.200  -0.04   0.00   0.00   0.00 
1 1 1    4   11    1 o   45.060   1.0644   32.441 -15.1000   5.40   2.02  -0.97  -0.60 
1 1 1    4   11    2 f   12.279   1.1888   16.607 -109.5000  11.71  -4.85  -4.07   3.73 
1 1 1    4   11    3 o   15.072   1.7128   11.454 -101.8000  11.91 -16.00   1.52   5.76 
1 1 1    4   11    4 o   20.997   2.5613   11.810 -57.5000  51.02 -39.75  -5.71  26.04 
1 1 1    4   11    5 o   25.700   1.2428   28.319   62.700  -3.06   7.24   1.32   1.62 
1 1 1    4   11    6 o   91.201   3.4071  116.824 -91.2000  64.41 -37.87 -23.16  33.93 
1 1 1    4   11    7 o   43.051   2.6959   53.448  -8.0000  45.87 -67.06  10.30  24.44 
1 1 1    4   11    8 o   16.084   0.3605   1.7714  179.500  -1.66  -1.38  -0.20  -0.78 
1 1 1    4   11    9 o   49.659   1.0266   38.570   56.900   6.29   4.19  -0.77  -2.65 
1 1 1    4   11   10 o   48.624   1.8496   53.921 -86.1000 -20.62 -21.35  -0.06 -10.47 
1 1 1    4   11   11 o   10.088   2.5132   16.670 -153.3000 -14.72 -29.54   4.47  -5.99 
1 1 1    4   11   12 o   24.357   1.6957   23.006  133.900 -13.47  22.70   4.48   7.82 
1 1 1    4   11   13 o   11.674   0.1823   11.848   23.400  -0.03  -0.44   1.23  -0.40 
1 1 1    4   11   14 o   59.819   0.6876   66.710 -138.0000  -4.26  -3.68  -1.06  -3.91 
1 1 1    4   11   15 o   63.342   0.2842   39.361 -173.9000  -0.33  -2.10   1.55  -0.99 
1 1 1    4   11   16 o   22.894   1.2189   15.582   2.3000  15.39   4.29  -5.65  -3.25 
1 1 1    4   11   17 o   21.692   0.4791   12.453   2.3000   1.79   6.45   9.28  -6.94 
1 1 1    4   11   18 o   41.526   0.3472   38.696   30.600   0.41  -0.04  -0.36   0.47 
1 1 1    4   11   19 o   50.162   1.6182   55.984 -18.8000  31.92   9.65  -7.07  -5.00 
1 1 1    4   11   20 o   42.959   0.2322   36.911 -86.9000  -0.32  -0.27  -1.60  -0.29 
1 1 1    4   11   21 o   65.455   0.9363   72.441   32.900  -4.75  13.71   9.52  10.40 
1 1 1    4   11   22 f   16.889   0.2871   14.686   50.800  -0.22   0.27  -1.12   1.40 
1 1 1    4   11   23 o   39.076   0.4899   38.525  176.600  -5.67  13.22  12.75  10.83 
1 1 1    4   11   24 o   17.003   0.2252   7.8594  114.200   3.35   2.90  -1.26  -4.89 
1 1 1    4   11   25 o   21.690   0.7501   18.145  -7.2000   7.51 -10.79   1.84   5.92 
1 1 1    4   11   26 o   26.180   0.3707   26.917   69.800  -7.05   3.92  -5.94   7.22 
1 1 1    4   11   27 o   22.650   0.5207   24.536  111.800   0.99   2.48   0.34  -0.40 
1 1 1    4   11   28 o   22.833   0.2104   17.103   76.300  -0.31   0.21  -0.15   0.11 
1 1 1    4   11   29 o   33.007   0.2159   26.941   33.600   1.97  -0.53  -0.83   1.70 
1 1 1    4   11   30 o   30.876   0.4425   32.562  153.400  -9.41 -11.23   2.30  -6.60 
1 1 1    4   11   31 o   5.0917   0.8572   4.2091  112.900  -2.10  -5.97   2.89  -1.91 
1 1 1    4   11   32 o   13.901   0.3954   7.3269 -143.3000   2.02  -3.38   3.31   3.38 
1 1 1    4   11   33 o   9.1165   0.8428   2.4067   48.800   5.93   5.81   0.28  -2.76 
1 1 1    4   11   34 o   11.783   0.8456   7.6798 -10.2000  10.62   0.79  -2.55  -0.63 
1 1 1    4   11   35 o   10.262   1.1235   11.695   57.200  -7.40  13.67   2.16   4.05 
1 1 1    4   11   36 o   5.9941   1.1084   2.4050 -164.2000  -3.67   3.50   0.06   1.10 
1 1 1    4   11   37 f   7.7686   0.5141   9.2305  155.100  -1.95   2.28   0.46   1.06 
1 1 1    4   11   38 o   5.9199   0.6377   7.7122   71.300  -0.28   0.42  -0.50   0.42 
1 1 1    4   12    0 o   22.755   0.1917   10.403  175.200  -0.07   0.00   0.00   0.00 
1 1 1    4   12    1 o   75.710   1.2180   77.859  131.500  -7.63  11.03   1.53   2.96 
1 1 1    4   12    2 o   76.950   1.3439   72.379 -19.5000   3.47 -14.22   5.26   1.85 
1 1 1    4   12    3 o   42.975   1.8969   47.585  129.600 -36.86   0.07 -16.31  -0.73 
1 1 1    4   12    4 o   26.716   0.6889   28.290   45.900   4.70  -1.67  -1.17   1.09 
1 1 1    4   12    5 o   37.529   0.6673   43.111  157.800  -3.84  -5.68   4.04  -6.75 
1 1 1    4   12    6 o   65.918   0.6627   64.755  120.800   0.74   2.67   1.94  -0.34 
1 1 1    4   12    7 o   41.905   1.7655   50.002 -131.6000 -52.43   8.50 -23.59   8.94 
1 1 1    4   12    8 o   18.204   0.7616   23.465 -58.1000 -12.88  -9.27  -5.66 -19.38 
1 1 1    4   12    9 f   34.298   1.5670   51.823  168.500 -13.97  16.28   0.90   7.49 
1 1 1    4   12   10 o   25.891   1.4294   33.249 -102.3000 -19.19  -9.83  -5.43  -7.13 
1 1 1    4   12   11 o   55.534   2.4008   27.903 -141.0000 -19.72 -21.07   0.61  -6.51 
1 1 1    4   12   12 o   29.634   1.8429   41.130 -162.2000 -26.44  15.50  -5.32   9.13 
1 1 1    4   12   13 o   76.191   0.3271   72.341 -93.4000  -0.37  -0.04  -0.09  -0.06 
1 1 1    4   12   14 o  108.883   2.9467   95.610  110.000  16.35  46.91  11.13 -10.07 
1 1 1    4   12   15 o   3.2514   0.5575   24.545 -90.2000  -2.15   1.50  -0.36   1.08 
1 1 1    4   12   16 o   27.600   0.7493   17.697   56.300   3.24   2.11  -0.51  -1.47 
1 1 1    4   12   17 o   42.408   1.6428   36.538 -42.8000   7.26  -7.21   0.12   2.37 
1 1 1    4   12   18 o  113.155   0.4717  111.880   63.700   0.06   1.00  -4.11   0.75 
1 1 1    4   12   19 o   57.137   0.8985   42.820 -39.9000   0.96  -3.92   1.07   0.38 
1 1 1    4   12   20 o   24.386   1.4340   5.9303  151.300   2.40  12.59   3.42  -1.49 
1 1 1    4   12   21 o   28.928   1.2057   19.303 -153.2000 -10.37   0.08  -3.66   0.30 
1 1 1    4   12   22 o   39.426   0.6774   40.200  112.600  -5.39   2.42  -1.22   1.66 
1 1 1    4   12   23 o   39.950   2.0039   40.203   86.100   7.47  40.95   9.08  -3.13 
1 1 1    4   12   24 o   27.542   1.0144   29.324 -110.2000  -8.68 -11.83   1.07  -4.08 
1 1 1    4   12   25 o   26.717   0.6859   16.434 -21.4000  14.53   5.85  -5.30  -4.50 
1 1 1    4   12   26 o   24.395   1.0148   24.964   33.400   7.05   9.54   0.74  -3.14 
1 1 1    4   12   27 o   46.488   0.2553   42.258  107.400  -0.48   0.05  -0.11  -0.40 
1 1 1    4   12   28 o   11.322   0.6553   9.1838 -80.3000 -10.26  -7.36  -2.94  -6.94 
1 1 1    4   12   29 o   15.438   1.0048   6.1339 -83.0000 -22.02   3.14  -8.10   2.89 
1 1 1    4   12   30 o   22.923   0.4109   15.260 -174.9000  -1.28  -3.05   1.27  -0.71 
1 1 1    4   12   31 o   6.1943   0.5034   6.8022 -116.5000   0.85  -2.16   1.99   1.16 
1 1 1    4   12   32 o   11.782   0.4319   10.967   43.900  -1.28   4.63   1.56   1.49 
1 1 1    4   12   33 f   8.5610   0.4071   8.3570   12.300   0.07   0.14  -0.19  -0.11 
1 1 1    4   12   34 o   12.731   1.3617   4.4889  164.600 -21.62  -7.10  -6.16  -3.82 
1 1 1    4   12   35 o   12.391   0.3224   13.712 -102.1000   0.37   0.36  -0.07  -0.11 
1 1 1    4   12   36 o   4.8033   0.7016   5.6901  112.600  -0.02   0.17   0.05  -0.04 
1 1 1    4   12   37 o   10.480   0.5493   9.7511  -4.1000   1.49  -1.83  -0.11   0.81 
1 1 1    4   12   38 o   10.949   0.5372   10.918  135.100   0.14   1.37   0.29   0.08 
1 1 1    4   13    0 o   54.822   0.3435   58.523  -0.4000  -0.19   0.00   0.00   0.00 
1 1 1    4   13    1 o   82.174   0.3435   77.088 -15.5000   0.27  -1.77   0.58   0.59 
1 1 1    4   13    2 o  116.197   0.9024   89.716 -138.7000  -2.98  -0.14  -2.13   3.59 
1 1 1    4   13    3 o   35.223   0.5148   26.987 -71.3000  -4.34  -2.43  -3.37  -3.87 
1 1 1    4   13    4 o   49.642   0.3606   54.888  103.400  -1.07   0.44  -5.29  -2.02 
1 1 1    4   13    5 o   64.253   0.5628   59.818   17.300   1.33   1.18   0.17  -0.94 
1 1 1    4   13    6 o  100.943   2.5729   86.365 -102.8000  12.70 -34.74   8.06   8.06 
1 1 1    4   13    7 f   44.821   1.2091   35.762 -46.2000   6.95   2.16  -1.33  -0.80 
1 1 1    4   13    8 o   31.798   3.4608   21.866 -53.4000  39.69 -21.74  -3.48   5.62 
1 1 1    4   13    9 o   27.173   3.5174   31.530 -100.0000  13.47 -76.35  16.15   6.03 
1 1 1    4   13   10 f   55.272   1.6743   42.019 -149.5000 -24.79   8.33  -8.40   5.87 
1 1 1    4   13   11 o   21.868   1.3457   21.447 -55.4000  -3.17 -16.18   4.89  -1.90 
1 1 1    4   13   12 o   74.701   0.3236   73.997  174.200  -0.86  -2.06   7.22  -1.12 
1 1 1    4   13   13 o  119.959   0.5605  116.766   44.200  -0.38   3.78   1.88   1.25 
1 1 1    4   13   14 o   12.103   0.5039   13.433   88.800  -5.83  -9.05   6.70 -16.09 
1 1 1    4   13   15 o   46.618   0.6728   51.626   42.200   5.57  -5.70   0.87   5.52 
1 1 1    4   13   16 o   18.031   1.6448   27.434  121.100 -28.24  18.75  -3.09   7.17 
1 1 1    4   13   17 o   42.697   0.8245   25.587 -128.9000  -1.55 -14.12   4.52  -0.81 
1 1 1    4   13   18 o   48.970   0.2450   41.345   61.900   0.29  -0.59  -0.70   1.91 
1 1 1    4   13   19 o   45.450   0.3482   43.997 -17.2000  -0.63  -0.61   0.07  -0.28 
1 1 1    4   13   20 o   15.072   0.4321   18.869   59.900   1.08   1.46   0.29  -0.69 
1 1 1    4   13   21 f   71.081   0.8348   58.990   81.100  -8.69  14.05   3.62  12.07 
1 1 1    4   13   22 o   16.195   1.9117   17.811   73.800  -9.15  43.43  10.60   4.83 
1 1 1    4   13   23 f   9.8716   1.3753   15.685   75.200 -12.15  22.20   5.52   8.29 
1 1 1    4   13   24 o   4.3030   0.6123   10.796  119.000   0.44   0.08  -0.07  -0.03 
1 1 1    4   13   25 f   16.767   0.2322   24.651 -58.8000  -0.03   0.16  -0.74  -0.63 
1 1 1    4   13   26 o   31.746   0.2132   30.286   82.400  -0.91  -0.71  -1.52  -0.87 
1 1 1    4   13   27 o   41.827   0.2399   47.016   5.0000   3.34   4.09  17.39  -6.73 
1 1 1    4   13   28 o   4.8582   0.6453   12.581 -34.5000  -3.10  -2.39  -0.96  -2.58 
1 1 1    4   13   29 o   21.179   0.2142   17.601 -39.1000   1.32   2.01   2.76  -2.19 
1 1 1    4   13   30 f   16.564   0.3495   16.826  114.100   0.65   2.33   0.91  -0.99 
1 1 1    4   13   31 o   12.836   1.6705   13.930   58.900  -5.07  44.22  12.49   2.41 
1 1 1    4   13   32 o   17.452   0.6217   19.663  136.200  -7.44   2.95  -1.64   1.14 
1 1 1    4   13   33 o   5.8752   0.5734   10.994   78.100   1.03   0.10  -0.50  -0.32 
1 1 1    4   13   34 o   17.944   0.8903   21.895  143.800  -3.98   5.88   0.69   1.13 
1 1 1    4   13   35 o   16.724   0.4966   15.679   72.800  -1.04   4.74   1.04   0.78 
1 1 1    4   13   36 o   7.9327   0.6928   11.393   18.700   0.96  -0.61  -0.06   0.08 
1 1 1    4   13   37 o   4.8517   1.2241   5.4302  113.700  -2.49   1.74  -0.13   0.75 
1 1 1    4   14    0 o   37.351   0.2513   42.380  178.800  -0.22   0.00   0.00   0.00 
1 1 1    4   14    1 o   70.506   2.3738   60.302 -163.3000 -33.13  16.28  -7.13  10.44 
1 1 1    4   14    2 o   46.102   1.7019   35.585   53.200  27.68  -3.51  -7.77   1.70 
1 1 1    4   14    3 o   64.232   1.0868   60.115  111.600  -6.74   9.02   0.69   3.42 
1 1 1    4   14    4 o   19.497   2.1926   20.692   45.100  21.30  27.11   2.02  -8.80 
1 1 1    4   14    5 o   45.466   1.1762   44.894   38.900   5.66   9.35   2.10  -3.43 
1 1 1    4   14    6 o   19.787   0.3721   22.402   71.000  -2.69   0.97  -1.67   1.17 
1 1 1    4   14    7 o  100.467   2.1394  103.635 -97.4000  13.08 -12.42  -1.45   8.76 
1 1 1    4   14    8 f   76.700   0.9955   73.281 -63.0000  -4.69  -9.08   7.70  -7.91 
1 1 1    4   14    9 o   36.811   0.4775   36.775   51.300  -1.51   0.99  -0.69   1.15 
1 1 1    4   14   10 o   51.063   2.0509   39.839 -167.8000 -34.53 -27.98  -3.62 -14.90 
1 1 1    4   14   11 o   58.262   1.3082   68.291   41.100   9.03   8.33  -0.35  -2.60 
1 1 1    4   14   12 o   29.234   3.3992   19.525   41.000  99.59 -66.72 -15.31  38.31 
1 1 1    4   14   13 o   42.807   0.7046   41.708   46.100  -1.42   3.28   1.73   2.90 
1 1 1    4   14   14 o   9.3485   1.5969   11.988 -69.5000  -2.17 -10.92   2.41  -0.96 
1 1 1    4   14   15 f   19.399   0.2055   23.351  162.600  -1.24   0.53  -1.22   1.68 
1 1 1    4   14   16 o   48.679   3.8054   37.434 -110.4000 -113.60 -109.86  -1.69 -36.88 
1 1 1    4   14   17 f   25.822   0.3004   6.4353 -80.9000  -4.13   1.53  -5.23   3.35 
1 1 1    4   14   18 o   47.325   0.2973   47.652   44.000   1.06  -0.04  -2.13   2.98 
1 1 1    4   14   19 o   45.329   0.7981   41.454 -10.2000   4.14   0.54  -1.22  -0.12 
1 1 1    4   14   20 f   49.455   0.8909   36.477 -172.8000  -5.87   4.38  -0.66   1.64 
1 1 1    4   14   21 o   37.318   1.1754   46.418  122.800   5.65  21.36   7.73  -4.94 
1 1 1    4   14   22 o   29.621   1.0881   21.095  175.300 -15.85  -1.21  -4.35  -0.44 
1 1 1    4   14   23 o   15.659   0.4293   26.510   72.000   4.56   6.94   2.34  -4.59 
1 1 1    4   14   24 o   57.521   1.0979   62.876 -120.9000   1.62  -9.58   3.29   0.35 
1 1 1    4   14   25 o   9.8058   0.6525   6.6671  159.300   6.22   2.47  -2.67  -2.23 
1 1 1    4   14   26 o   38.404   0.5871   33.846   27.800   4.83   2.34  -2.66  -1.87 
1 1 1    4   14   27 o   29.370   0.7686   30.016   38.200  -1.07  15.15   4.29   1.11 
1 1 1    4   14   28 f   14.888   0.8539   15.251 -115.4000  18.50  -6.47  -6.57   4.53 
1 1 1    4   14   29 o   13.451   1.2732   14.067 -32.6000  21.63 -10.74  -4.00   4.73 
1 1 1    4   14   30 o   14.981   1.4834   15.468 -133.4000  -0.83 -31.66   6.42  -0.06 
1 1 1    4   14   31 o   14.410   0.9046   6.8654   19.800   5.47  -1.70  -0.95   0.94 
1 1 1    4   14   32 o   10.299   0.3697   2.8925   88.000  -0.40  -0.53   0.14  -0.16 
1 1 1    4   14   33 f   4.0224   0.9689   4.0066   26.600  -0.57   1.59   0.29   0.18 
1 1 1    4   14   34 o   6.5993   0.5643   3.5926 -145.7000  -1.21  -0.19  -0.42   0.02 
1 1 1    4   14   35 o   13.874   0.3065   11.881 -96.3000  -0.08  -0.03   0.01   0.03 
1 1 1    4   14   36 o   11.145   1.5311   7.5579   36.100   7.49  11.67   0.81  -2.44 
1 1 1    4   14   37 o   21.101   0.3964   20.029 -45.1000  -2.14  -3.85  -0.15  -1.85 
1 1 1    4   15    0 o   39.789   0.2733   30.306  -0.6000  -0.07   0.00   0.00   0.00 
1 1 1    4   15    1 o   23.867   0.3580   41.529  144.800   2.72   7.45  12.33 -12.02 
1 1 1    4   15    2 f   31.635   1.7974   25.533  104.100 -13.47  15.78   0.60   4.27 
1 1 1    4   15    3 o   59.655   0.2605   66.869  132.700  -2.77  -2.20  -0.17  -2.53 
1 1 1    4   15    4 f   24.288   1.1074   34.016   49.900   7.11   1.77  -1.48  -0.74 
1 1 1    4   15    5 o   32.414   0.6976   39.075  145.800  -1.44   2.85   0.48   0.58 
1 1 1    4   15    6 o   27.338   1.1619   28.776  120.900  -1.88  -0.28  -0.10  -0.03 
1 1 1    4   15    7 o   15.387   0.7651   22.677   79.700  -0.98   3.48   0.68   0.39 
1 1 1    4   15    8 o   62.204   2.1119   78.106   35.800   7.17  30.48   8.52  -3.80 
1 1 1    4   15    9 o   59.593   0.6396   75.205 -114.1000  -1.09  -0.55  -0.06  -0.07 
1 1 1    4   15   10 o   23.076   1.2024   31.166  148.000 -13.81  -4.72  -4.80  -3.92 
1 1 1    4   15   11 f   52.873   0.2490   50.740 -13.4000  -0.05   0.18   0.12  -0.07 
1 1 1    4   15   12 o   86.713   0.4325   98.114 -166.7000  -2.77   7.04   5.40   2.54 
1 1 1    4   15   13 o   54.930   0.9138   49.593   94.500  -1.35   1.96   0.13   0.25 
1 1 1    4   15   14 o   53.340   0.2570   56.913 -11.5000  -0.45  -1.95   3.24  -3.85 
1 1 1    4   15   15 o   62.257   2.0874   61.636  103.500  -3.51  49.09  10.01   1.14 
1 1 1    4   15   16 o   39.379   0.2225   53.275   44.300   3.77  -0.50 -11.32   8.41 
1 1 1    4   15   17 o   23.780   1.6142   28.172 -93.3000  15.77  -3.96  -6.04   2.81 
1 1 1    4   15   18 o   0.0000   2.6155  ?   ?   -0.09   0.08   0.03   0.11 
1 1 1    4   15   19 o   23.771   0.2397   26.667   51.100   1.03   0.71  -0.11  -0.23 
1 1 1    4   15   20 f   12.033   0.7668   28.811   86.600   2.27   2.65   0.11  -0.59 
1 1 1    4   15   21 o   29.720   1.2864   32.519  125.700   4.06  21.18   6.35  -2.18 
1 1 1    4   15   22 o   22.304   0.7138   14.803 -109.3000  -5.52  -6.40   0.19  -2.00 
1 1 1    4   15   23 f   16.627   0.5627   7.2767 -90.9000   5.10   0.98  -1.37  -0.68 
1 1 1    4   15   24 o   28.559   1.2396   19.052 -127.2000   3.67 -25.60   6.04   2.13 
1 1 1    4   15   25 o   7.2736   0.7930   8.1899  141.600  -7.15  -2.78  -2.09  -2.11 
1 1 1    4   15   26 o   23.570   0.5198   22.806  101.800   0.05   3.32   1.21  -0.32 
1 1 1    4   15   27 o   20.639   0.2350   33.541   9.0000   0.51  -1.36   1.76   0.21 
1 1 1    4   15   28 o   14.091   0.6603   12.195 -175.9000  -5.38  -3.10  -1.55  -1.98 
1 1 1    4   15   29 o   15.023   0.2547   14.903 -118.3000   0.11  -0.72   0.34   0.42 
1 1 1    4   15   30 o   3.3688   0.7595   4.5648  106.500  -0.44   0.48  -0.01   0.10 
1 1 1    4   15   31 o   3.1422   0.9016   2.4299  121.200   0.06   0.11   0.00  -0.00 
1 1 1    4   15   32 o   11.981   0.3164   7.0732  126.200  -0.64   0.40  -0.19   0.14 
1 1 1    4   15   33 o   4.7863   0.6468   6.0944  164.800  -0.03   0.60   0.33   1.45 
1 1 1    4   15   34 o   15.907   0.8385   14.132  160.100  -6.38   4.35  -0.43   2.29 
1 1 1    4   15   35 o   9.4135   0.5393   15.092   76.600  -0.96   1.58   0.07   0.44 
1 1 1    4   15   36 o   8.7989   0.4806   4.1411   48.500   1.32   0.52  -0.11  -0.37 
1 1 1    4   16    0 o   35.096   0.2588   35.998  179.300  -0.03   0.00   0.00   0.00 
1 1 1    4   16    1 o   63.461   0.2723   60.156 -121.2000   3.63  -4.91   0.60   3.33 
1 1 1    4   16    2 o   11.393   0.5784   25.365   98.700  -4.79  -1.45  -2.86  -1.81 
1 1 1    4   16    3 o   49.116   0.2266   62.305  128.200  -3.88  -2.51  -1.26  -4.60 
1 1 1    4   16    4 o   67.372   0.9831   50.625  106.600  -0.58   6.65   1.33   0.35 
1 1 1    4   16    5 o   29.520   0.7057   32.292   19.900   1.28  16.17  16.04  -1.77 
1 1 1    4   16    6 f   51.658   1.4394   39.806 -136.7000   6.48 -21.51   7.48   4.47 
1 1 1    4   16    7 o   50.262   0.8250   68.013 -92.3000   3.60  -5.10   0.60   2.32 
1 1 1    4   16    8 o   29.788   2.4294   28.091 -37.0000  38.53 -32.43  -2.37  12.61 
1 1 1    4   16    9 o   41.374   0.7818   42.609 -68.1000   6.61  -2.16  -1.67   1.47 
1 1 1    4   16   10 o   17.314   0.8164   51.753 -96.1000 -16.47  -2.93 -16.47  -5.22 
1 1 1    4   16   11 f   11.000   2.1633   8.5255 -150.3000  11.58  10.28  -0.30  -2.74 
1 1 1    4   16   12 o   40.564   1.5266   32.440  162.500 -30.73 -10.00  -7.15  -5.48 
1 1 1    4   16   13 o   15.518   0.5645   4.0369  164.900  -5.44  -0.51  -1.59  -0.26 
1 1 1    4   16   14 o   43.924   2.0570   41.730 -43.8000  10.95 -31.31   8.20   7.14 
1 1 1    4   16   15 o   41.561   0.2827   61.095 -168.3000  -0.02   0.11  -0.04  -0.21 
1 1 1    4   16   16 o   35.361   1.0748   20.691 -130.2000 -13.86  -4.77  -3.99  -2.67 
1 1 1    4   16   17 o   24.186   0.3828   24.200 -177.0000  -0.49  -0.21  -0.17  -0.71 
1 1 1    4   16   18 o   17.598   0.2400   18.962 -108.4000   0.76   0.09  -1.65   0.14 
1 1 1    4   16   19 o   10.676   0.3734   21.584   86.500   1.31   1.56   0.40  -1.44 
1 1 1    4   16   20 o   4.0969   0.8111   15.309   56.300   2.46  -0.48  -0.83   0.37 
1 1 1    4   16   21 o   43.165   0.2400   46.333  149.000   2.09   2.27  -0.50  -2.04 
1 1 1    4   16   22 o   17.503   1.5715   12.083 -152.1000 -37.02  24.53  -5.84  15.14 
1 1 1    4   16   23 o   18.744   0.2286   8.0891 -103.8000  -0.02  -0.11  -0.26   0.18 
1 1 1    4   16   24 o   4.1910   0.9591   7.2426   48.900   2.44  -0.16  -0.62   0.12 
1 1 1    4   16   25 o   34.527   0.2174   31.658  177.300  -2.86  -5.98   4.35  -2.64 
1 1 1    4   16   26 o   22.287   1.0562   25.158 -19.3000  19.37   0.76  -6.06   0.06 
1 1 1    4   16   27 o   1.0381   1.0496   4.8552  134.100   0.16  -0.21   0.13   0.16 
1 1 1    4   16   28 o   10.161   0.7600   9.0142 -119.0000  -1.53  -5.66   1.00  -0.71 
1 1 1    4   16   29 o   5.1302   2.2593   7.7923 -56.8000  -0.26  -4.58   0.81  -0.03 
1 1 1    4   16   30 f   15.157   0.8736   9.0771  103.300 -11.79   2.82  -4.31   1.45 
1 1 1    4   16   31 f   7.9990   1.0818   4.6659 -56.9000   7.87  -3.98  -1.01   1.66 
1 1 1    4   16   32 o   14.798   0.3180   11.141  118.800   0.38   2.51   1.51   0.24 
1 1 1    4   16   33 o   8.6362   0.4379   8.6526 -63.5000  -0.72  -0.36  -0.19  -0.11 
1 1 1    4   16   34 o   5.5150   0.9662   3.2149   33.200   0.40   2.25   0.41  -0.07 
1 1 1    4   16   35 o   26.620   0.2344   20.252  169.600   0.01  -0.34  -0.06   0.08 
1 1 1    4   16   36 o   9.6127   1.2433   10.047  125.600   0.57   5.21   0.69  -0.32 
1 1 1    4   17    0 f   68.565   0.4204   51.222 -179.4000  -0.20   0.00   0.00   0.00 
1 1 1    4   17    1 o   60.069   0.4123   60.057 -101.0000  10.36  -8.55  -2.50   8.47 
1 1 1    4   17    2 o   73.588   1.6048   62.404   29.100  -7.89  42.31  15.91   7.16 
1 1 1    4   17    3 o   36.674   0.7098   28.715   18.500   5.36  -6.85   2.07   6.30 
1 1 1    4   17    4 o   43.407   1.7522   39.048  158.000 -13.51  -3.92  -3.04  -1.68 
1 1 1    4   17    5 o   37.194   0.8635   38.830  -0.6000   2.10  13.45   7.10  -1.69 
1 1 1    4   17    6 o   51.648   1.7467   58.952  168.300 -12.19  10.95  -0.16   3.67 
1 1 1    4   17    7 o   33.894   1.1700   34.314  105.900   2.17   8.99   1.87  -1.09 
1 1 1    4   17    8 o  117.271   1.3526  109.940  -1.4000   7.92   4.10  -0.93  -2.74 
1 1 1    4   17    9 o   22.989   0.1941   30.553 -62.1000   0.01   0.34   0.15   0.02 
1 1 1    4   17   10 o   53.491   0.4676   42.118  125.800  -0.81   2.13   0.71   0.91 
1 1 1    4   17   11 o   82.030   0.3603   67.963   4.2000   0.82   0.85   3.64  -1.12 
1 1 1    4   17   12 o   2.3058   1.1337   21.956 -132.1000   0.97  -0.58  -0.34   0.54 
1 1 1    4   17   13 o   55.667   0.2834   57.289  126.200  -0.11   0.08   0.00   0.01 
1 1 1    4   17   14 o   30.278   1.1312   34.281   13.900   3.95  -2.74  -0.44   0.90 
1 1 1    4   17   15 f   53.792   0.2669   59.205  102.900   0.18   0.27  -0.32  -0.13 
1 1 1    4   17   16 o   39.076   0.4536   31.144   59.300  12.99  -5.47  -4.52   5.43 
1 1 1    4   17   17 o   19.997   1.1644   22.986   0.2000   2.99  20.20   9.04  -2.41 
1 1 1    4   17   18 o   37.217   0.5903   39.869 -155.1000   0.50  -5.76  20.53  15.56 
1 1 1    4   17   19 o   11.112   1.6429   17.732  127.700 -34.30  -6.69 -11.69  -4.98 
1 1 1    4   17   20 o   7.8539   0.3842   19.473   99.800   2.15   0.76  -0.61  -0.43 
1 1 1    4   17   21 o   13.046   1.6378   16.697   64.400 -13.50  26.89   4.57   5.81 
1 1 1    4   17   22 o   15.071   0.2401   29.109   82.600   0.52   0.04  -1.44   1.50 
1 1 1    4   17   23 o   13.394   0.3968   21.673 -89.9000  -4.77  -0.39  -3.28  -0.09 
1 1 1    4   17   24 o   16.624   0.6966   23.031   26.000   5.42   3.63  -1.03  -1.87 
1 1 1    4   17   25 o   18.362   0.2368   16.696  141.200  -2.87  -0.16  -1.27  -0.49 
1 1 1    4   17   26 o   18.598   1.2769   16.642   12.300  18.13   4.65  -3.60  -1.64 
1 1 1    4   17   27 f   14.375   0.2547   9.6209   22.200  -0.03  -0.05   0.00  -0.00 
1 1 1    4   17   28 o   9.0641   0.3660   12.251 -149.0000  -0.29  -0.59   0.11  -0.06 
1 1 1    4   17   29 o   6.2751   0.4802   7.7003 -41.0000   0.06  -0.24  -0.04   0.32 
1 1 1    4   17   30 o   13.119   0.2811   7.1627   22.600   1.00  -0.66   0.11   0.71 
1 1 1    4   17   31 o   5.1416   1.0880   5.9020  149.600   0.10  -0.71   0.03   0.00 
1 1 1    4   17   32 o   7.9055   0.4732   10.991  -6.7000   0.76   0.52  -0.20  -0.20 
1 1 1    4   17   33 o   6.4334   0.5642   7.8530 -115.2000   0.56   0.17  -0.27   0.04 
1 1 1    4   17   34 o   17.224   0.5033   16.626  -6.3000   3.27  -1.27  -0.52   0.24 
1 1 1    4   17   35 o   6.4715   0.6992   2.3430 -138.2000   2.30  -1.86  -0.71   0.94 
1 1 1    4   18    0 o   15.339   0.3161   25.174  179.200   0.07   0.00   0.00   0.00 
1 1 1    4   18    1 o   58.839   1.0680   53.407   93.200   5.44   3.28  -2.16  -2.69 
1 1 1    4   18    2 o   18.251   0.3461   12.369 -78.5000   0.39  -0.23  -0.04   0.11 
1 1 1    4   18    3 o   45.762   1.0014   46.399  139.700   1.77  11.74   9.68  -4.50 
1 1 1    4   18    4 o   34.318   1.1834   26.823 -53.9000  19.11   2.93  -6.16  -2.27 
1 1 1    4   18    5 o   22.583   1.6229   21.483   82.900   0.33  50.88  13.57  -0.02 
1 1 1    4   18    6 f   15.479   0.2563   22.395 -126.8000  -0.76  -0.25  -0.40  -0.37 
1 1 1    4   18    7 o   25.452   0.3164   31.399 -166.9000  -1.26   4.76  10.94   4.55 
1 1 1    4   18    8 o   29.209   1.6374   26.490 -70.3000 -20.28 -32.29   3.74  -7.45 
1 1 1    4   18    9 o   27.948   0.2019   26.182 -85.3000   0.04   0.59  -1.33  -8.76 
1 1 1    4   18   10 o   18.000   0.4667   34.659 -29.4000  -1.74  -4.16   1.43  -1.65 
1 1 1    4   18   11 o   25.653   1.0697   24.944 -171.0000  -9.38  -6.32  -1.41  -3.06 
1 1 1    4   18   12 o   24.568   1.0098   35.202   46.200   5.32  -2.76  -0.62   1.02 
1 1 1    4   18   13 o   46.313   0.2488   31.736  162.900  -0.26   1.10   1.51  -0.46 
1 1 1    4   18   14 o   0.0000   2.2777  ?   ?   -0.09  -0.00  -0.09   0.01 
1 1 1    4   18   15 f   9.7772   1.0300   8.4848 -132.4000  -5.83   0.86  -1.07   0.30 
1 1 1    4   18   16 o   4.1609   0.9236   15.386 -72.1000   1.54  -2.29   0.32   0.90 
1 1 1    4   18   17 f   28.206   1.8096   29.463 -37.5000  32.51 -22.22  -5.08  11.71 
1 1 1    4   18   18 f   45.491   0.3679   30.327 -97.7000   0.36  -1.05   0.14   1.13 
1 1 1    4   18   19 o   14.428   1.6935   14.212   38.800  26.40  26.61   0.21  -7.88 
1 1 1    4   18   20 o   29.901   0.3368   24.035   74.900   8.71   1.67  -7.69  -1.37 
1 1 1    4   18   21 o   4.1560   1.0136   2.1455 -133.7000  -0.09   2.84   0.93   0.13 
1 1 1    4   18   22 o   2.5275   1.2214   3.4383   17.900   1.63  -1.42  -0.09   0.50 
1 1 1    4   18   23 o   30.199   0.4037   26.255 -46.5000   1.49  -0.96  -0.10   0.14 
1 1 1    4   18   24 o   27.507   0.2750   27.464   58.600   2.17  -0.44  -1.13   3.98 
1 1 1    4   18   25 o   2.9410   1.3694   3.2447 -119.8000   1.30   0.35  -0.15  -0.10 
1 1 1    4   18   26 o   26.007   0.2112   27.992 -29.0000   0.44   0.12  -0.03  -0.08 
1 1 1    4   18   27 f   8.8744   0.9699   10.495 -150.0000   1.19 -10.87   4.29   0.36 
1 1 1    4   18   28 o   6.3088   0.5937   3.3346 -134.9000   3.02   0.28  -1.17  -0.53 
1 1 1    4   18   29 o   10.617   0.5572   6.5368 -122.6000   2.76  -4.94   0.74   1.89 
1 1 1    4   18   30 o   22.674   0.7628   16.954  116.300   6.89  15.58   2.61  -3.97 
1 1 1    4   18   31 o   9.8833   0.3975   7.2965 -33.5000   0.16   0.49   0.11  -0.01 
1 1 1    4   18   32 o   13.604   0.7201   13.493  130.900   2.85   1.72  -0.12  -0.50 
1 1 1    4   18   33 o   11.991   0.5113   10.368 -33.6000   1.82  -0.71  -0.18   0.38 
1 1 1    4   18   34 f   3.5023   1.6279   3.3842   68.100  -1.06   2.00   0.16   0.34 
1 1 1    4   19    0 o   47.108   0.3466   56.486 -179.9000  -0.65   0.00   0.00   0.00 
1 1 1    4   19    1 o   36.308   0.2893   20.577   58.700   4.89  -1.64  -3.38   2.04 
1 1 1    4   19    2 o   34.451   0.8158   26.995 -81.2000   6.64  -5.43  -0.49   3.35 
1 1 1    4   19    3 o   22.212   1.7686   31.108  164.000 -49.10 -14.77 -10.53  -7.14 
1 1 1    4   19    4 o   64.611   0.5002   44.923 -110.2000   0.41   0.06  -0.02  -0.79 
1 1 1    4   19    5 o   15.072   0.7349   20.698   62.200   9.67   7.48  -1.46  -6.61 
1 1 1    4   19    6 o   29.930   1.2636   28.855 -151.1000  -0.64 -20.09   5.41  -0.15 
1 1 1    4   19    7 o   34.885   0.3309   31.938  175.000   0.84  -4.67   1.82   0.92 
1 1 1    4   19    8 f   72.478   1.9569   52.298   15.600  13.91   2.15  -3.88  -0.72 
1 1 1    4   19    9 o   45.348   0.8195   39.804 -47.8000  -0.88  -4.81   1.13  -0.59 
1 1 1    4   19   10 o   18.587   0.8918   11.790 -30.8000   7.93  -6.74  -0.50   4.94 
1 1 1    4   19   11 o   37.515   0.3121   41.299   36.800  -0.25   2.14   4.61   6.99 
1 1 1    4   19   12 o   0.5613   1.0472   14.541 -93.5000   0.92  -1.09   0.05   0.36 
1 1 1    4   19   13 o   30.683   0.2112   45.433  163.100   1.61   6.24   3.69  -2.64 
1 1 1    4   19   14 o   29.620   0.5570   26.965   43.800   3.57   0.49  -0.31  -0.07 
1 1 1    4   19   15 o   0.0000   2.1019  ?   ?    0.12   0.13   0.02  -0.11 
1 1 1    4   19   16 o   20.882   1.3291   26.449 -58.8000  -2.96 -36.02  10.87  -2.13 
1 1 1    4   19   17 o   41.627   0.2387   37.361 -21.8000  -1.15  -3.29   1.90  -3.91 
1 1 1    4   19   18 o   10.221   0.3373   16.447 -26.5000  -0.09   0.02  -0.01   0.12 
1 1 1    4   19   19 o   11.602   1.0788   9.5682   48.900  17.29   0.66  -4.80  -0.19 
1 1 1    4   19   20 o   9.8068   1.0665   6.9405 -127.6000  -3.85 -10.10   1.43  -1.37 
1 1 1    4   19   21 o   18.839   0.4052   15.755 -15.9000   3.25  -2.30  -1.07   1.73 
1 1 1    4   19   22 o   16.006   0.3294   16.982   58.300   1.29  -0.62  -0.19   0.44 
1 1 1    4   19   23 o   32.505   0.7604   22.210 -75.1000  -1.87  -8.98   3.74  -3.06 
1 1 1    4   19   24 o   13.491   0.8255   10.665  144.400  -6.59  -3.04  -1.47  -1.34 
1 1 1    4   19   25 o   14.504   0.2809   7.5735   84.800  -4.73   0.44  -6.67  -1.25 
1 1 1    4   19   26 o   17.314   0.5973   17.404 -116.6000  -3.87  -0.87  -1.34  -0.12 
1 1 1    4   19   27 o   12.282   0.3058   11.447 -147.7000   0.16  -1.21   0.61   0.82 
1 1 1    4   19   28 f   19.144   0.3984   17.937 -126.8000  -1.38  -0.97  -0.38  -0.36 
1 1 1    4   19   29 o   6.6473   1.2851   11.427 -23.6000   6.58  -2.26  -1.37   0.84 
1 1 1    4   19   30 o   18.293   0.2502   20.208 -99.5000  -0.09  -0.67  -0.01  -0.42 
1 1 1    4   19   31 o   20.454   0.2520   17.228  164.000  -0.26   0.72   0.45  -0.47 
1 1 1    4   19   32 o   4.5824   1.0958   6.0938   19.100   1.28   0.73  -0.16  -0.16 
1 1 1    4   19   33 o   6.9434   0.5899   2.7339 -162.5000  -0.83   0.44  -0.36   0.05 
1 1 1    4   20    0 f   64.126   0.4691   60.208 -180.0000  -0.15   0.00   0.00   0.00 
1 1 1    4   20    1 o   16.830   0.4045   14.048 -109.6000  -0.31  -0.00  -0.03  -0.00 
1 1 1    4   20    2 o   15.445   0.7695   7.4842  -3.8000  -9.24  -4.98  -4.04  -7.01 
1 1 1    4   20    3 o   35.516   0.3205   17.904 -88.0000   2.65  -1.23  -1.41   1.13 
1 1 1    4   20    4 o   28.453   1.4976   19.043   52.000   3.28   0.38  -0.23  -0.04 
1 1 1    4   20    5 o   41.397   1.3303   26.280  -3.0000   2.59 -18.01  11.04   1.78 
1 1 1    4   20    6 o   42.882   0.3687   37.683 -166.5000  -3.08  -0.56  -0.79  -0.50 
1 1 1    4   20    7 o   6.1911   0.8611   7.1865 -136.0000   0.86   0.63  -0.14  -0.33 
1 1 1    4   20    8 o   12.761   1.4955   12.216   3.4000   9.42  -0.83  -1.94   0.41 
1 1 1    4   20    9 o   6.2069   1.1541   9.9343 -157.6000  -1.76  -2.01   0.09  -0.53 
1 1 1    4   20   10 o   14.094   0.5055   0.8021 -77.2000  -2.32  -0.48  -0.57  -0.21 
1 1 1    4   20   11 o   15.777   1.8838   3.4332 -159.4000  39.40  23.07  -5.35  -9.86 
1 1 1    4   20   12 o   31.795   0.2184   22.966   69.400   5.51  -0.14  -3.52   0.80 
1 1 1    4   20   13 o   21.251   1.0045   25.136  142.400  -8.84   3.39  -1.94   1.57 
1 1 1    4   20   14 o   11.965   0.2846   14.060   69.700  -1.60   1.89  -0.20   5.67 
1 1 1    4   20   15 o   30.889   0.2263   25.138   59.400   2.80  -1.89   1.17   9.39 
1 1 1    4   20   16 o   27.232   1.1211   18.334  171.600 -20.83  -3.82  -5.46  -2.43 
1 1 1    4   20   17 o   20.085   0.4283   20.438 -137.2000   6.26  -4.91  -3.28   7.56 
1 1 1    4   20   18 o   24.869   1.0485   17.072 -89.8000  -2.00 -25.15   7.59  -1.78 
1 1 1    4   20   19 o   8.4485   0.5274   13.116  115.600  -4.48   0.43  -2.27   0.20 
1 1 1    4   20   20 o   19.759   0.2264   16.832  159.100   0.35  -0.15   1.00  -0.84 
1 1 1    4   20   21 o   30.482   0.7467   30.393  146.800  -6.37   2.75  -1.00   0.74 
1 1 1    4   20   22 o   8.9393   1.2518   10.289  176.300 -13.65   0.20  -3.73   0.34 
1 1 1    4   20   23 o   28.824   1.8323   31.603 -78.6000  27.87 -48.52   5.26  10.82 
1 1 1    4   20   24 o   8.2564   0.4363   11.276  135.300   0.19   0.01  -0.00  -0.00 
1 1 1    4   20   25 o   21.038   0.5395   20.987  108.200  -2.66   1.99   0.30   1.31 
1 1 1    4   20   26 o   12.658   0.4829   13.789 -50.3000  -0.51  -0.55   0.02  -0.05 
1 1 1    4   20   27 o   6.5719   1.6259   11.144 -76.8000   5.59  -7.45   0.89   2.17 
1 1 1    4   20   28 o   3.5886   0.8539   6.0682 -137.5000   0.82  -0.13  -0.15   0.01 
1 1 1    4   20   29 o   15.630   0.2734   19.837 -108.3000   1.57  -4.36   1.48   4.44 
1 1 1    4   20   30 o   16.401   0.3085   16.055  155.200   0.20   3.98   1.74  -1.05 
1 1 1    4   20   31 o   7.2050   0.5185   4.9102 -72.6000  -0.17  -0.14  -0.02   0.22 
1 1 1    4   20   32 o   17.952   0.3085   14.964 -170.7000  -3.34  -2.09  -1.05  -0.61 
1 1 1    4   21    0 o   41.633   0.3501   34.990 -179.5000  -0.25   0.00   0.00   0.00 
1 1 1    4   21    1 o   37.643   0.2326   39.162   20.800   0.17   0.02   0.05  -0.16 
1 1 1    4   21    2 o   16.547   1.0133   15.430  165.600  -6.63  -1.94  -1.42  -1.02 
1 1 1    4   21    3 o   5.7806   0.6768   19.863  101.900   0.53   0.38  -2.84  -2.54 
1 1 1    4   21    4 o   42.560   0.5090   38.812   69.300   0.95   0.36  -0.18  -0.08 
1 1 1    4   21    5 f   30.910   0.7487   18.905   39.000   9.13  12.24   1.94  -5.35 
1 1 1    4   21    6 o   41.491   0.7661   35.112   88.400  -3.19   2.93   0.15   1.86 
1 1 1    4   21    7 o   8.6437   0.7631   16.492   99.900   1.70   6.72   2.70  -1.59 
1 1 1    4   21    8 o   13.747   0.2783   14.921  160.100  -0.88   0.17  -0.43   0.11 
1 1 1    4   21    9 o   16.456   0.5402   27.775 -68.0000   3.79  -4.67   0.30   2.19 
1 1 1    4   21   10 o   42.043   0.7205   27.021 -103.4000  -3.30  -4.18   0.11  -1.48 
1 1 1    4   21   11 o   21.665   0.5826   25.337  152.500  -3.04   2.66  -0.29   1.21 
1 1 1    4   21   12 o   4.5624   0.6077   2.5254  122.400  -0.34   0.29   0.17   0.81 
1 1 1    4   21   13 o   11.783   1.1896   12.854  168.900 -14.20  28.63   6.86   8.54 
1 1 1    4   21   14 o   21.698   1.7579   17.322  152.000 -37.91  21.16  -6.52   9.67 
1 1 1    4   21   15 o   6.8456   0.6738   15.696 -179.3000  -3.29  -1.90  -0.62  -0.93 
1 1 1    4   21   16 o   12.743   0.2558   11.485   99.000   0.37  -0.09  -0.61  -0.22 
1 1 1    4   21   17 o   6.8005   0.4314   17.897 -126.0000  -1.45  -0.13  -0.79  -0.01 
1 1 1    4   21   18 o   12.121   0.3124   8.6164 -84.8000   1.48   0.21  -0.97   0.05 
1 1 1    4   21   19 o   10.366   0.3972   10.045  126.200   0.83   1.49   0.14  -0.34 
1 1 1    4   21   20 o   9.3724   0.6726   9.5890 -63.0000  -5.96  -6.02  -0.53  -4.67 
1 1 1    4   21   21 o   5.4029   0.6130   7.7251 -141.9000  -1.78   0.19  -0.61   0.28 
1 1 1    4   21   22 f   12.336   0.3049   16.932   99.200   1.12   1.02  -0.14  -0.37 
1 1 1    4   21   23 o   9.8053   0.3722   17.128 -95.6000  -1.61  -1.52  -1.46  -2.50 
1 1 1    4   21   24 f   16.651   0.2510   12.272  173.000  -0.01  -0.26  -0.01  -0.09 
1 1 1    4   21   25 o   10.480   0.3375   12.579   96.600  -2.27  -0.06  -3.22  -3.55 
1 1 1    4   21   26 o   7.1472   0.5075   12.432 -114.5000  -0.02  -0.06   0.00   0.01 
1 1 1    4   21   27 o   11.692   0.3632   13.550 -140.6000   0.32   0.01   0.27  -0.17 
1 1 1    4   21   28 o   16.352   0.3025   13.301 -101.0000   0.81   0.64  -1.52   1.29 
1 1 1    4   21   29 o   16.657   1.4225   16.819   40.600   8.88  16.50   1.59  -1.94 
1 1 1    4   21   30 o   11.688   0.3582   12.061 -140.5000  -0.47  -0.32  -0.04   0.85 
1 1 1    4   21   31 o   12.233   0.7532   9.0772   72.600   5.13   1.35  -1.10  -0.17 
1 1 1    4   22    0 o   48.602   0.3736   56.263  179.800   0.21   0.00   0.00   0.00 
1 1 1    4   22    1 o   2.9515   1.3902   10.330 -172.0000  -1.35   2.63   0.31   0.42 
1 1 1    4   22    2 o   14.165   1.0576   15.334 -144.4000 -13.32  -4.40  -2.47  -1.74 
1 1 1    4   22    3 o   14.275   0.3790   5.7701  -9.8000  -2.10   3.11   0.62   1.30 
1 1 1    4   22    4 o   8.0870   1.2365   14.466   20.300   6.72   2.56  -0.84  -0.79 
1 1 1    4   22    5 o   9.2086   0.5967   7.5963 -34.6000  -3.91  -2.58  -0.95  -1.87 
1 1 1    4   22    6 o   8.1167   0.4239   17.965   42.800   0.15  -0.04  -0.28  -0.05 
1 1 1    4   22    7 o   15.846   0.2709   13.744 -117.4000  -0.42  -0.65   0.07  -0.12 
1 1 1    4   22    8 o   20.622   1.1502   19.034  -9.6000  10.27 -13.59   1.36   4.11 
1 1 1    4   22    9 o   8.8825   0.3882   0.4166 -47.2000  -1.63  -2.23   0.28  -1.33 
1 1 1    4   22   10 o   7.7106   0.8668   7.3876 -81.7000   4.28  -7.26   1.40   2.86 
1 1 1    4   22   11 o   25.480   0.4546   23.265   5.7000   2.44   0.81  -0.41  -0.42 
1 1 1    4   22   12 o   18.300   0.4229   23.804  150.800  -3.04  -2.53  -0.05  -1.75 
1 1 1    4   22   13 o   24.734   0.5879   26.819  170.000  -6.35   0.79  -1.77   0.21 
1 1 1    4   22   14 o   7.7111   0.3987   8.9734 -66.3000   2.48   1.01  -0.80  -1.01 
1 1 1    4   22   15 o   15.969   0.5390   14.245 -44.6000   4.64   0.58  -1.29  -0.17 
1 1 1    4   22   16 f   18.805   0.5422   23.021 -100.6000   9.41  -9.95  -0.93   9.23 
1 1 1    4   22   17 f   4.0819   1.6467   5.8464 -125.0000   2.29  -2.25  -0.08   0.83 
1 1 1    4   22   18 f   30.814   0.4124   30.176 -117.7000  -1.65   0.86  -0.58   0.27 
1 1 1    4   22   19 o   18.187   1.0180   8.6389   57.900  16.97  -3.01  -3.54   1.65 
1 1 1    4   22   20 o   10.856   0.3481   12.646   92.700   2.16   1.37  -1.01  -1.10 
1 1 1    4   22   21 o   31.723   1.3450   28.555  114.100 -25.41  28.00  -0.22   9.70 
1 1 1    4   22   22 o   12.209   0.5098   12.204  121.800   1.77   1.20  -0.16  -0.22 
1 1 1    4   22   23 o   8.4027   0.4254   9.2168 -103.9000  -0.39  -0.34  -0.52   1.14 
1 1 1    4   22   24 o   10.293   0.4113   11.060   82.700   0.10   1.01   0.19  -0.14 
1 1 1    4   22   25 o   18.847   0.2566   19.138  143.600   0.37   2.02   0.17  -3.00 
1 1 1    4   22   26 o   2.4018   1.0321   6.7210   6.9000  -0.01   0.26   0.06   0.10 
1 1 1    4   22   27 o   9.4325   1.1924   8.9490  105.300 -13.05   8.92  -1.96   3.64 
1 1 1    4   22   28 o   15.675   0.3560   10.463  178.800  -0.73  -0.77  -0.31  -0.25 
1 1 1    4   22   29 o   9.7082   0.8467   11.479 -64.7000   3.73  -4.66  -0.03   1.24 
1 1 1    4   22   30 o   11.497   0.4018   11.690  152.600   0.38   0.20   0.18   0.10 
1 1 1    4   23    0 f   8.1609   0.5766   1.1069  170.400   0.18   0.00   0.00   0.00 
1 1 1    4   23    1 o   11.295   0.3383   22.439 -117.5000  -6.73   3.06  -3.94   5.37 
1 1 1    4   23    2 o   39.662   0.2407   31.118 -76.0000  -4.28  -6.55   0.62  -2.52 
1 1 1    4   23    3 o   18.370   0.9436   6.7628 -101.6000  -7.51 -14.17   3.54  -4.61 
1 1 1    4   23    4 o   12.407   1.2422   9.2904   31.400  15.52  -7.12  -2.27   2.48 
1 1 1    4   23    5 o   11.103   0.9217   2.9644 -156.1000   6.75  16.92   5.09  -4.46 
1 1 1    4   23    6 o   5.4122   1.1839   5.5756   39.800   0.10  -3.12   0.50   0.01 
1 1 1    4   23    7 o   3.1904   1.2466   14.294  156.200   0.08   1.92   0.66  -0.11 
1 1 1    4   23    8 o   23.625   0.3256   23.009 -89.3000   0.44  -2.32   1.24   0.11 
1 1 1    4   23    9 o   18.892   0.5238   10.017 -94.1000  -0.74  -4.82   1.45  -0.27 
1 1 1    4   23   10 o   15.036   1.5575   18.564 -99.2000  10.95 -16.44   1.07   2.82 
1 1 1    4   23   11 o   8.8761   0.9112   6.0806 -25.5000   3.63  -4.09   0.22   1.13 
1 1 1    4   23   12 o   9.6849   0.3849   1.0686 -171.4000  -1.42   1.23   0.07   1.05 
1 1 1    4   23   13 o   11.942   0.3005   17.330  -0.8000   0.11  -0.55   0.39   0.96 
1 1 1    4   23   14 o   5.7389   1.9575   9.1695 -74.5000   3.93  -6.55   0.77   1.28 
1 1 1    4   23   15 o   11.012   0.5751   14.905   0.7000   4.04   3.22  -0.58  -1.58 
1 1 1    4   23   16 o   11.482   0.3230   10.301 -131.3000   6.17  -7.05  -1.39  13.57 
1 1 1    4   23   17 o   4.1877   0.6449   2.8248  117.500  -0.88  -0.10  -0.24  -0.12 
1 1 1    4   23   18 o   10.496   1.7834   3.4628  146.600  14.54  20.72   1.64  -5.53 
1 1 1    4   23   19 o   10.435   1.0269   4.7347 -139.5000 -12.03  -2.44  -2.64  -1.40 
1 1 1    4   23   20 o   14.768   0.2862   15.488 -137.5000   0.17   0.04  -0.02   0.11 
1 1 1    4   23   21 o   19.022   0.2468   15.919 -92.6000   0.19   0.47  -0.15  -0.16 
1 1 1    4   23   22 f   19.998   0.2412   17.715  126.900  -0.65   0.90  -1.88  -1.69 
1 1 1    4   23   23 o   17.649   0.2753   14.695 -62.5000  -2.33  -4.21   0.28  -2.94 
1 1 1    4   23   24 o   15.873   0.2951   17.009 -104.6000  -0.46  -0.64   0.32  -0.09 
1 1 1    4   23   25 o   11.890   0.3501   5.7273 -138.2000   0.28   1.37   0.03  -1.59 
1 1 1    4   23   26 o   9.2534   0.6209   5.1992 -160.9000  -1.30  -0.23  -0.17   0.00 
1 1 1    4   23   27 f   4.6274   0.8034   9.4207 -98.6000   0.11  -0.26  -0.05  -0.27 
1 1 1    4   23   28 o   15.189   1.1992   14.343 -58.3000   9.70  -5.76  -0.56   1.93 
1 1 1    4   23   29 o   6.9503   0.6171   7.2072   93.700  -0.22  -0.36  -0.08  -0.06 
1 1 1    4   24    0 o   25.263   0.3224   24.980   0.5000   0.27   0.00   0.00   0.00 
1 1 1    4   24    1 o   13.724   1.0506   17.338 -67.3000   5.45  -9.64   1.18   2.25 
1 1 1    4   24    2 o   29.815   0.6774   26.627 -135.8000  -5.77  -1.42  -0.77  -0.29 
1 1 1    4   24    3 f   5.3711   0.7609   13.911   86.000  -3.26   0.87  -1.40   0.63 
1 1 1    4   24    4 o   5.3043   0.6004   8.7850   18.700  -0.07   0.14   0.48  -0.59 
1 1 1    4   24    5 o   11.735   1.1366   6.7113 -96.6000   6.85  -5.74  -0.37   1.57 
1 1 1    4   24    6 o   11.921   0.3021   13.593   91.100  -0.59   0.96   0.56   0.58 
1 1 1    4   24    7 f   17.446   0.2549   15.458 -149.0000  -0.36   0.36   1.74  -1.93 
1 1 1    4   24    8 o   22.309   0.5982   22.585 -26.2000   8.27   9.70   2.70  -8.09 
1 1 1    4   24    9 o   15.598   0.4407   14.387 -135.1000   0.82  -1.85   0.25   0.40 
1 1 1    4   24   10 o   24.910   0.6010   31.293 -93.5000  17.22  -9.74  -9.26  11.04 
1 1 1    4   24   11 o   32.981   0.7763   20.149   93.400   6.95  17.58   3.99  -5.37 
1 1 1    4   24   12 o   30.521   0.3848   19.240  115.700   0.47  -0.14  -0.02   0.09 
1 1 1    4   24   13 o   28.485   0.7987   23.896 -163.4000  -4.65  -1.32  -1.05  -0.31 
1 1 1    4   24   14 o   17.511   1.3346   21.468 -45.1000  10.10 -23.26   5.16   4.67 
1 1 1    4   24   15 o   9.1240   0.4225   11.063   0.5000   0.48  -0.18  -0.03   0.05 
1 1 1    4   24   16 o   12.393   0.9674   11.450 -172.2000  -7.13   5.17  -0.42   2.31 
1 1 1    4   24   17 o   12.033   0.3476   0.3169 -127.5000   0.23  -0.42  -0.25   0.35 
1 1 1    4   24   18 o   26.188   0.7510   23.257 -120.6000  -2.42  -8.91   1.43  -0.51 
1 1 1    4   24   19 o   10.196   0.3701   10.500 -63.5000  -0.15  -0.12  -0.06   0.02 
1 1 1    4   24   20 o   15.221   0.2754   14.955   30.400   1.10  -0.45  -0.06   0.22 
1 1 1    4   24   21 o   13.985   0.8038   10.164 -28.7000   8.36  -7.75   0.25   2.87 
1 1 1    4   24   22 o   9.4895   0.3987   9.3209 -63.6000  -0.14  -2.38   0.56  -0.27 
1 1 1    4   24   23 o   2.7327   1.0623   3.1048   74.000   1.01  -0.11  -0.43  -0.13 
1 1 1    4   24   24 o   11.359   0.4055   10.371 -115.7000   0.83  -0.99  -0.36   0.47 
1 1 1    4   24   25 o   5.7568   0.6643   2.5658  172.100   0.13   0.09  -0.02  -0.01 
1 1 1    4   24   26 f   27.676   0.7814   16.366   1.5000   8.14  -0.32  -1.86   1.21 
1 1 1    4   24   27 o   7.6215   0.5934   5.3874   42.500   0.13   1.88   0.61   0.38 
1 1 1    4   24   28 o   6.8665   0.6409   7.5695 -11.1000   1.19   1.79  -0.21  -0.69 
1 1 1    4   25    0 o   23.401   0.3474   15.420   1.9000   0.27   0.00   0.00   0.00 
1 1 1    4   25    1 o   36.506   0.2724   36.251 -173.5000  -0.92  -0.24   1.72  -0.57 
1 1 1    4   25    2 o   21.150   0.6085   9.7438   57.600  -0.99   7.16   1.05   0.18 
1 1 1    4   25    3 f   18.185   0.2599   22.878   45.700   0.98  -0.18  -0.36   0.40 
1 1 1    4   25    4 f   14.302   0.6528   14.790  179.400  -2.11  10.18   2.81   0.94 
1 1 1    4   25    5 o   3.7232   0.8631   4.4874  167.900   0.14  -1.96   1.24  -0.08 
1 1 1    4   25    6 f   38.090   1.1237   36.287   83.400 -15.51  17.08  -2.56  14.38 
1 1 1    4   25    7 f   18.210   0.2660   5.6434   98.300  -4.23   0.50  -4.36   3.68 
1 1 1    4   25    8 o   34.037   0.2318   33.775  177.200   0.63  -3.32   3.78  -2.32 
1 1 1    4   25    9 o   3.0176   1.4530   3.5233 -64.8000   0.92  -0.32  -0.08   0.08 
1 1 1    4   25   10 o   12.144   0.3880   10.845  153.300  -2.11   5.90   4.33   2.12 
1 1 1    4   25   11 o   20.846   1.1606   17.644   95.100 -11.15  17.53   1.16   3.18 
1 1 1    4   25   12 o   10.810   0.6069   7.6487  177.800  -5.36  -1.81  -1.29  -1.36 
1 1 1    4   25   13 o   24.109   0.6228   23.862 -138.5000  -0.53  -3.24   0.75  -0.65 
1 1 1    4   25   14 f   13.666   1.0425   13.340   93.600 -11.34  10.47  -0.56   3.08 
1 1 1    4   25   15 o   3.4605   0.9181   10.822   30.800   0.38  -0.01  -0.04   0.01 
1 1 1    4   25   16 f   23.196   0.6036   16.040 -160.8000  -3.92  -1.82  -8.06   0.17 
1 1 1    4   25   17 o   10.951   0.6224   9.6668 -59.8000  -1.22  -4.36   1.26  -1.66 
1 1 1    4   25   18 o   6.5417   0.5090   10.414  -1.1000   0.02   0.34  -0.45  -0.17 
1 1 1    4   25   19 o   12.405   0.3455   12.985 -120.9000  -0.14  -0.04  -0.01   0.00 
1 1 1    4   25   20 o   9.7023   0.6584   11.048 -127.2000  -0.76  -3.02   0.41  -0.38 
1 1 1    4   25   21 o   11.206   0.6395   10.438 -74.8000   0.45  -2.71   0.41   0.30 
1 1 1    4   25   22 o   6.5555   0.5995   7.9900  138.500  -1.00  -0.75  -0.12  -0.15 
1 1 1    4   25   23 o   12.633   0.3698   9.4099  118.600   0.18   0.69   0.28   0.30 
1 1 1    4   25   24 o   6.9438   0.6398   8.9944 -83.4000   0.60  -2.04   0.31   0.62 
1 1 1    4   25   25 o   18.054   1.0904   18.286 -138.7000  -9.59 -11.24   0.96  -2.41 
1 1 1    4   25   26 o   14.774   0.7618   13.485  108.700  -1.10   1.38   0.18   0.17 
1 1 1    4   25   27 o   2.3949   1.2783   6.7679   22.600   0.00  -0.32   0.03  -0.02 
1 1 1    4   26    0 o   21.762   0.3571   23.167   0.2000   0.17   0.00   0.00   0.00 
1 1 1    4   26    1 o   22.038   0.2498   16.624   23.600   0.39   1.29   0.23  -0.72 
1 1 1    4   26    2 o   31.862   0.6039   40.603 -162.4000  -2.25   7.51   1.57   0.57 
1 1 1    4   26    3 o   27.435   0.8715   22.800   88.400 -12.65  11.20  -2.55   7.32 
1 1 1    4   26    4 o   21.749   0.6023   21.238 -91.0000  -0.89  -2.27   0.23  -0.13 
1 1 1    4   26    5 o   17.656   0.7389   19.003   82.700   3.15   1.76  -0.19  -0.52 
1 1 1    4   26    6 o   15.203   0.3026   18.544   93.200   1.46   0.45  -1.64   0.26 
1 1 1    4   26    7 o   15.420   0.2827   15.990   54.900  -1.34   2.83   0.68   2.59 
1 1 1    4   26    8 o   19.990   0.9509   23.040  119.300  -8.06  17.89   3.27   4.83 
1 1 1    4   26    9 o   13.468   0.3420   9.6369   6.0000   0.53  -1.10   0.34   0.15 
1 1 1    4   26   10 o   6.4478   0.6097   6.4334 -133.1000  -1.21  -1.23   0.29  -0.72 
1 1 1    4   26   11 f   9.5780   0.4028   0.2694   79.300   0.04   0.01   0.00  -0.00 
1 1 1    4   26   12 o   30.514   0.8418   30.645  136.400   0.35  15.27   4.38  -1.31 
1 1 1    4   26   13 o   16.819   0.8215   19.599 -90.9000  -8.68  -9.55  -0.26  -3.66 
1 1 1    4   26   14 o   21.230   1.2636   23.393  -6.7000  12.73 -17.72   4.56   6.87 
1 1 1    4   26   15 o   7.5471   0.8568   4.0439   17.700   2.50  -0.60  -0.34   0.32 
1 1 1    4   26   16 o   18.703   0.2565   12.788  117.000   3.77  -1.07  -0.56   0.15 
1 1 1    4   26   17 o   11.610   0.3663   4.5053  118.800  -0.94  -0.22  -0.55   0.32 
1 1 1    4   26   18 o   2.4099   1.1310   4.9096   40.100   0.49  -0.29  -0.10   0.08 
1 1 1    4   26   19 o   7.6757   0.5062   5.6523 -97.2000  -0.36  -0.56  -0.87   1.04 
1 1 1    4   26   20 o   9.4317   1.0504   7.7998   74.200  -1.98   4.95   0.40   0.59 
1 1 1    4   26   21 o   3.1193   1.4417   5.7262 -15.9000  -0.37  -0.03  -0.03  -0.02 
1 1 1    4   26   22 o   7.2679   0.5537   3.5551 -86.9000  -0.66   0.53  -0.07   0.08 
1 1 1    4   26   23 o   5.1772   0.7747   5.6180 -152.4000  -0.55  -0.12  -0.03   0.49 
1 1 1    4   26   24 o   8.3076   0.7763   13.753 -144.0000  -4.62   1.86  -0.59   1.27 
1 1 1    4   26   25 f   0.0000   2.6866  ?   ?   -0.08  -0.06   0.03   0.03 
1 1 1    4   27    0 o   29.416   0.3510   30.901   0.1000   0.45   0.00   0.00   0.00 
1 1 1    4   27    1 o   10.132   0.3356   19.556 -123.5000   0.12   0.09  -0.00  -0.00 
1 1 1    4   27    2 o   8.3959   0.4682   10.471   63.300  -0.29   0.36   0.24   0.11 
1 1 1    4   27    3 o   23.615   0.6321   13.258  146.600  -4.89   1.73  -0.82   0.37 
1 1 1    4   27    4 o   4.6296   1.1595   4.6686  160.400   0.44  -2.47   0.67   0.48 
1 1 1    4   27    5 o   25.292   0.3953   17.266 -154.2000  -4.26   1.18  -4.27  -0.86 
1 1 1    4   27    6 o   22.315   0.5361   24.437   60.000   7.96   2.32  -2.23  -0.68 
1 1 1    4   27    7 o   9.7980   0.5243   4.5911  155.600   0.13  -0.53  -0.29   0.50 
1 1 1    4   27    8 o   22.766   0.2392   20.373 -129.8000  -0.03  -1.31  -3.33   1.04 
1 1 1    4   27    9 o   11.087   1.2387   11.360 -27.2000   6.63 -12.90   2.20   2.37 
1 1 1    4   27   10 o   6.8872   0.6213   7.6381 -149.6000   1.86  -1.52  -0.52   0.80 
1 1 1    4   27   11 o   18.001   0.5060   17.907  105.700   2.24   1.65   0.08  -0.43 
1 1 1    4   27   12 o   14.144   0.8494   13.990 -52.7000   8.72 -10.18   1.57   3.86 
1 1 1    4   27   13 o   21.056   0.4691   25.013 -122.3000   5.59  -6.91  -1.01   3.83 
1 1 1    4   27   14 o   9.0814   0.4426   12.144   89.900  -0.72   1.53   0.10   0.32 
1 1 1    4   27   15 o   5.1887   0.8090   5.8461   61.400  -0.04  -0.17  -0.08   0.03 
1 1 1    4   27   16 o   13.491   0.5247   18.066  166.800  -2.70  -1.54  -1.62  -0.61 
1 1 1    4   27   17 o   4.9537   1.1638   0.7121 -64.8000   0.12   2.22   0.25   0.03 
1 1 1    4   27   18 o   9.1768   0.4840   5.6662 -10.3000   1.21   0.59  -0.67   0.04 
1 1 1    4   27   19 o   9.6005   0.5860   9.6353 -161.1000  -1.15   1.65   0.29   0.28 
1 1 1    4   27   20 o   4.0365   0.8479   3.1110 -78.1000  -0.00   0.05  -0.00   0.01 
1 1 1    4   27   21 o   8.5271   0.5337   10.992 -74.1000   1.00  -0.92  -0.23   0.23 
1 1 1    4   27   22 o   10.781   0.4637   8.2468   28.900   0.74   0.19   0.44  -0.15 
1 1 1    4   27   23 o   10.136   0.4570   9.2341   61.800   0.88   1.36   0.84   0.28 
1 1 1    4   27   24 o   0.0000   2.7141  ?   ?    0.23   0.23   0.02  -0.03 
1 1 1    4   28    0 o   11.640   0.5059   2.8143  -1.3000   0.45   0.00   0.00   0.00 
1 1 1    4   28    1 o   13.684   0.3920   12.312   77.400  -1.34   1.83   0.15   0.24 
1 1 1    4   28    2 f   10.319   0.4523   12.848 -166.7000   0.77   0.87  -0.06  -0.19 
1 1 1    4   28    3 o   3.4046   0.9470   4.5436   73.500  -0.77   0.01  -0.12   0.04 
1 1 1    4   28    4 f   4.7106   1.0229   1.6980 -87.5000  -0.13  -1.03   0.10  -0.06 
1 1 1    4   28    5 o   14.530   0.6682   12.176  149.100  -6.42   5.76   0.25   2.38 
1 1 1    4   28    6 o   5.0843   0.8099   2.9853   95.200  -0.45  -0.48   0.09  -0.09 
1 1 1    4   28    7 o   5.2114   0.8383   6.8955   77.600   0.69  -0.60   0.15   0.20 
1 1 1    4   28    8 o   12.387   0.3155   10.056  142.100   0.48   0.39   0.35  -0.06 
1 1 1    4   28    9 f   2.9732   1.1908   4.3718   24.300   0.66   0.31  -0.13  -0.05 
1 1 1    4   28   10 o   9.6223   0.7894   7.9708   16.300   4.91  -0.84  -0.80   0.53 
1 1 1    4   28   11 o   8.6548   0.9698   1.1872 -106.2000   4.01   0.10  -0.73  -0.27 
1 1 1    4   28   12 o   26.286   0.2518   27.982 -162.9000  -4.32   2.46   3.11   4.34 
1 1 1    4   28   13 o   7.8230   0.5578   9.5616 -13.3000  -0.39  -0.21  -0.10   0.00 
1 1 1    4   28   14 o   24.984   0.3623   17.413  -3.5000   3.85  -2.41   2.40   2.91 
1 1 1    4   28   15 o   12.359   0.3849   8.5704  121.700  -5.29   0.13  -3.03  -2.20 
1 1 1    4   28   16 o   14.420   0.5802   11.465   94.000   1.75   4.75   0.62  -1.92 
1 1 1    4   28   17 o   6.6214   0.6908   6.5223   12.600   0.44  -0.09  -0.07  -0.06 
1 1 1    4   28   18 o   9.8149   0.6403   9.1161   97.400  -1.21   1.67   0.47   0.33 
1 1 1    4   28   19 o   9.9438   0.6541   9.8817 -15.4000  -1.14  -0.39  -0.11  -0.02 
1 1 1    4   28   20 o   0.0000   2.7197  ?   ?    0.01  -0.07   0.00  -0.00 
1 1 1    4   28   21 o   5.1577   0.8375   0.8497   72.700   0.41   0.74  -0.29   0.51 
1 1 1    4   28   22 o   7.9477   0.6127   10.611  -9.3000  -0.35   0.79  -0.27   0.13 
1 1 1    4   29    0 o   7.1694   1.2832   6.6650  -0.7000   0.13   0.00   0.00   0.00 
1 1 1    4   29    1 o   4.8391   0.7510   5.7186   39.100   0.41   0.02   0.31  -0.31 
1 1 1    4   29    2 o   7.9700   0.5627   8.5514 -72.9000   0.43  -1.01   0.03   0.24 
1 1 1    4   29    3 o   5.1816   0.7118   3.4191   20.400   0.34  -0.11  -0.04  -0.29 
1 1 1    4   29    4 o   9.1837   0.8400   8.3301   52.200   1.55   1.00  -0.01  -0.22 
1 1 1    4   29    5 o   3.1398   0.9811   2.6938 -167.0000  -0.33   0.13   0.37   0.10 
1 1 1    4   29    6 o   5.7907   0.7232   5.8620   59.700   0.54  -0.22   0.21   0.28 
1 1 1    4   29    7 f   12.375   0.6281   9.8494 -109.8000  -0.13  -4.33   1.47   0.83 
1 1 1    4   29    8 o   8.9645   0.5740   9.9812 -73.2000  -1.14  -0.77   0.00  -0.15 
1 1 1    4   29    9 o   9.9772   0.4369   8.1482 -39.0000   0.26   0.18   0.07   0.16 
1 1 1    4   29   10 f   9.5502   0.5393   11.181  164.200  -1.05   0.23  -0.06   0.28 
1 1 1    4   29   11 o   8.6379   0.5879   7.2525 -159.6000  -0.90  -0.62   0.25  -0.26 
1 1 1    4   29   12 o   6.9000   1.1285   10.242 -40.7000   2.80  -0.22  -0.28   0.14 
1 1 1    4   29   13 o   10.294   0.8896   11.131 -146.4000  -3.04  -6.14   2.29  -1.12 
1 1 1    4   29   14 o   2.9831   1.3876   2.8687  115.300  -0.00  -0.83   0.16   0.11 
1 1 1    4   29   15 o   4.6523   1.1572   5.3369 -24.1000   0.78  -1.18   0.14   0.14 
1 1 1    4   29   16 o   7.6913   1.5397   6.0406  153.800  -3.47   0.88  -0.27   0.30 
1 1 1    4   29   17 o   10.574   0.5154   5.7174   21.900   1.24   0.65  -0.33   1.19 
1 1 1    4   29   18 o   6.5644   1.0288   7.3657   73.800  -0.91   2.43   0.15   0.42 
1 1 1    4   29   19 o   1.5973   1.3660   4.4276  178.100  -0.15  -1.13   0.26   0.11 
1 1 1    4   29   20 o   0.0000   2.6595  ?   ?   -0.12  -0.16   0.02  -0.01 
1 1 1    4   30    0 f   3.9497   1.2122   0.1720   44.600   0.02   0.00   0.00   0.00 
1 1 1    4   30    1 o   14.789   0.6199   14.228   47.800   0.34   2.66   0.36   0.08 
1 1 1    4   30    2 o   7.5572   0.5798   4.5890 -133.9000  -0.37   0.29   0.23  -0.19 
1 1 1    4   30    3 o   5.2389   0.8575   2.9174  -9.0000   0.80   0.20  -0.00  -0.26 
1 1 1    4   30    4 o   11.374   0.4505   5.5925   8.0000   0.07  -0.73   0.08  -0.07 
1 1 1    4   30    5 o   10.703   0.4763   10.916   68.400  -2.20   0.97   0.79   1.74 
1 1 1    4   30    6 f   9.0410   0.5606   7.0650  125.000  -0.63  -0.64   0.06   0.75 
1 1 1    4   30    7 o   7.3055   0.9745   6.3442  147.800  -0.78  -0.89  -0.03  -0.08 
1 1 1    4   30    8 o   7.2686   0.7533   2.7650 -31.2000   0.42  -0.31  -0.11  -0.03 
1 1 1    4   30    9 o   2.3995   1.2691   7.3625 -14.8000   0.05   0.67   0.01  -0.37 
1 1 1    4   30   10 o   15.391   0.3325   15.608   44.100   2.87  -1.97   0.41   1.20 
1 1 1    4   30   11 o   3.9749   1.1633   2.2807   27.900  -0.18  -0.36  -0.12   0.13 
1 1 1    4   30   12 o   7.3970   0.5746   8.0668 -115.8000   0.72  -1.60  -0.42   1.06 
1 1 1    4   30   13 o   8.9590   0.5785   9.4655   40.100  -0.08   0.22  -0.03  -0.03 
1 1 1    4   30   14 o   1.6907   1.3131   9.9502   15.800   0.35  -0.15   0.22  -0.10 
1 1 1    4   30   15 o   10.412   0.7965   5.6392  130.800  -6.41   1.34  -2.17  -0.31 
1 1 1    4   30   16 o   0.9405   1.3583   5.2807   94.400  -0.13   0.18  -0.05   0.00 
1 1 1    4   30   17 o   0.0000   2.8904  ?   ?    0.31   0.00   0.07  -0.14 
1 1 1    4   31    0 o   5.2345   1.0676   8.5342  179.500   0.28   0.00   0.00   0.00 
1 1 1    4   31    1 f   12.793   0.4579   12.225   62.900   0.72   0.68  -0.20   0.59 
1 1 1    4   31    2 o   11.052   0.6890   5.7931  -7.0000  -0.69   0.39   0.04   0.06 
1 1 1    4   31    3 o   1.5777   1.2331   5.9599 -37.9000   0.07  -0.14  -0.05  -0.02 
1 1 1    4   31    4 o   9.8798   0.5784   11.706   44.400   1.42   0.04   0.14   0.80 
1 1 1    4   31    5 o   6.6693   0.9315   5.4500   68.900  -0.45  -0.16   0.04   0.12 
1 1 1    4   31    6 o   2.5964   1.3665   6.2616   96.100  -0.00  -0.04   0.00  -0.00 
1 1 1    4   31    7 o   6.7033   0.6154   3.2535   55.100  -0.89   0.52  -0.30   0.03 
1 1 1    4   31    8 o   1.8989   1.5272   3.3628  125.500  -0.22   0.24   0.05  -0.08 
1 1 1    4   31    9 o   8.2482   1.1809   10.032   17.100   2.54   2.96   0.40  -0.54 
1 1 1    4   31   10 o   11.596   0.4930   6.8816   93.700   1.03  -0.38   0.02  -0.53 
1 1 1    4   31   11 o   9.5296   0.6624   5.0276   99.200   0.25  -0.22   0.03  -0.02 
1 1 1    4   31   12 o   8.5675   0.6217   11.223   47.800   0.36   0.83  -0.18   0.36 
1 1 1    4   31   13 o   4.1950   0.9575   6.5997 -172.8000  -0.74  -0.70   0.22  -0.14 
1 1 1    4   31   14 o   5.8779   0.7649   3.7705   94.000   0.13   0.70   0.01  -0.06 
1 1 1    4   31   15 o   1.3822   1.4754   3.3145   73.000   0.33  -0.03   0.04  -0.05 
1 1 1    4   32    0 o   3.2249   1.3934   1.5527 -176.7000  -0.03   0.00   0.00   0.00 
1 1 1    4   32    1 o   16.847   1.0260   13.966   49.200   1.00  -1.08   0.07   0.04 
1 1 1    4   32    2 o   2.4810   1.5797   5.9740 -77.7000  -0.01  -0.03   0.00  -0.00 
1 1 1    4   32    3 o   8.7666   1.1703   7.0691  123.800  -1.91   2.90  -0.06   0.45 
1 1 1    4   32    4 o   5.1468   1.0299   6.0420   9.0000  -0.20   0.48  -0.01   0.03 
1 1 1    4   32    5 o   5.8095   0.9178   10.672   19.700  -0.23   1.38   0.20  -0.26 
1 1 1    4   32    6 f   0.4774   1.1724   5.3814   86.200   0.06  -0.24  -0.07  -0.01 
1 1 1    4   32    7 o   8.7096   0.6296   2.1270   33.900   1.00   1.36   0.57   0.17 
1 1 1    4   32    8 o   3.0087   1.4875   2.6753  162.100   0.17   0.01   0.01   0.00 
1 1 1    4   32    9 o   9.4800   0.8336   8.7262  -3.4000   2.69  -1.07   0.02   0.43 
1 1 1    4   32   10 o   0.0000   3.1891  ?   ?   -0.01   0.22  -0.08   0.00 
1 1 1    4   32   11 f   0.0000   3.1858  ?   ?    0.05  -0.27  -0.08  -0.04 
1 1 1    4   33    0 o   0.0000   5.0200   3.1458  180.000   0.04   0.00   0.00   0.00 
1 1 1    4   33    1 o   4.1834   1.0207   6.5524   30.500   0.08   0.38  -0.06  -0.00 
1 1 1    4   33    2 o   2.8520   1.5895   9.0958 -133.5000  -1.25   0.29  -0.04   0.19 
1 1 1    4   33    3 f   2.8293   1.4540   7.6531 -35.1000   0.27  -0.36  -0.02  -0.06 
1 1 1    4   33    4 f   4.0110   1.8336   5.3805   21.800   0.77  -0.05   0.01   0.10 
1 1 1    4   33    5 f   0.0000   3.0536  ?   ?    0.16   0.04   0.01   0.01 
1 1 1    5    0    1 o   80.761   0.9569   71.678   90.900  -0.00  -0.69   0.00   0.00 
1 1 1    5    0    2 o   19.910   0.2235   42.916 -179.5000  -0.03   0.00   0.00   0.00 
1 1 1    5    0    3 o   54.121   0.3342   55.740 -89.4000   0.00   0.22   0.00   0.00 
1 1 1    5    0    4 o   30.895   0.2106   45.063   0.4000   0.07   0.00   0.00   0.00 
1 1 1    5    0    5 o   49.200   0.3100   24.609 -89.4000  -0.00  -0.16   0.00   0.00 
1 1 1    5    0    6 o   30.517   0.2099   35.302 -180.0000   0.42   0.00   0.00   0.00 
1 1 1    5    0    7 o   22.421   0.1704   0.3711  106.800  -0.00  -0.06   0.00   0.00 
1 1 1    5    0    8 o   46.370   0.2915   40.952  179.200  -0.32   0.00   0.00   0.00 
1 1 1    5    0    9 o   22.034   0.2468   8.5115 -93.5000   0.00   0.02   0.00   0.00 
1 1 1    5    0   10 o   58.172   0.3562   71.135  -0.2000   1.09   0.00   0.00   0.00 
1 1 1    5    0   11 o   15.540   0.2314   5.9123   97.000   0.00   0.04   0.00   0.00 
1 1 1    5    0   12 f   33.291   0.2386   35.165  179.700   0.37   0.00   0.00   0.00 
1 1 1    5    0   13 o   11.261   0.2049   0.4559   73.200  -0.00  -0.19   0.00   0.00 
1 1 1    5    0   14 f   23.162   0.2118   1.2608   25.700   0.03   0.00   0.00   0.00 
1 1 1    5    0   15 o   15.421   0.2300   16.935 -90.8000  -0.00  -0.04   0.00   0.00 
1 1 1    5    0   16 o   3.1781   0.5550   8.7058  179.800  -0.00   0.00   0.00   0.00 
1 1 1    5    0   17 o   16.855   0.2225   20.742   90.200   0.00   0.09   0.00   0.00 
1 1 1    5    0   18 o   29.538   0.3430   27.853  -0.1000   0.06   0.00   0.00   0.00 
1 1 1    5    0   19 o   60.228   0.3967   50.621 -89.7000  -0.00  -0.39   0.00   0.00 
1 1 1    5    0   20 o   47.797   0.4795   25.327  179.200  -0.08   0.00   0.00   0.00 
1 1 1    5    0   21 f   31.631   0.3192   22.421 -90.0000   0.00   0.21   0.00   0.00 
1 1 1    5    0   22 o   38.696   0.3280   50.748 -179.9000  -0.07   0.00   0.00   0.00 
1 1 1    5    0   23 o   19.652   0.3081   6.6468   89.700  -0.00  -0.04   0.00   0.00 
1 1 1    5    0   24 o   43.309   0.4105   53.985  179.900  -0.12   0.00   0.00   0.00 
1 1 1    5    0   25 o   0.0000   3.2404   9.4794 -88.9000   0.00   0.00   0.00   0.00 
1 1 1    5    0   26 o   7.0852   0.5607   6.6593 -176.5000  -0.04   0.00   0.00   0.00 
1 1 1    5    0   27 o   36.217   0.3053   32.819   90.400  -0.00  -0.00   0.00   0.00 
1 1 1    5    0   28 o   7.7071   0.5441   14.896 -179.7000  -0.02   0.00   0.00   0.00 
1 1 1    5    0   29 o   45.382   0.3575   36.741 -89.3000   0.00   0.02   0.00   0.00 
1 1 1    5    0   30 o   5.4589   0.6794   9.7972 -179.1000  -0.09   0.00   0.00   0.00 
1 1 1    5    0   31 o   49.268   0.3757   60.919   89.900   0.00   0.93   0.00   0.00 
1 1 1    5    0   32 o   26.898   0.2960   23.004 -179.8000   0.12   0.00   0.00   0.00 
1 1 1    5    0   33 o   30.716   0.3110   27.543 -89.8000   0.00   0.24   0.00   0.00 
1 1 1    5    0   34 o   1.3038   1.3322   5.4665  -0.0000   0.02   0.00   0.00   0.00 
1 1 1    5    0   35 o   16.006   0.3604   13.371   89.900  -0.00  -0.24   0.00   0.00 
1 1 1    5    0   36 o   13.598   0.4068   16.659 -179.8000  -0.03   0.00   0.00   0.00 
1 1 1    5    0   37 o   19.573   0.3463   11.001 -90.0000   0.00   0.16   0.00   0.00 
1 1 1    5    0   38 o   3.7283   1.0605   5.0546  179.600  -0.05   0.00   0.00   0.00 
1 1 1    5    0   39 o   17.404   0.4015   22.269   90.000   0.00   0.16   0.00   0.00 
1 1 1    5    0   40 f   5.4314   0.9109   0.9277   0.7000   0.21   0.00   0.00   0.00 
1 1 1    5    1    0 o   66.827   0.4009   47.065   89.600  -0.00  -0.06   0.00   0.00 
1 1 1    5    1    1 o   68.124   0.2993   71.126   78.900   1.31  -0.06  -1.39   1.12 
1 1 1    5    1    2 o   69.698   2.9144   62.356 -10.4000  30.40 -35.86   2.75  12.87 
1 1 1    5    1    3 o   65.326   1.0973   50.658 -157.4000  -3.01   0.68  -0.28   0.10 
1 1 1    5    1    4 o   54.501   1.6968   67.368   64.800 -17.30  20.79   1.30   9.83 
1 1 1    5    1    5 o  100.633   1.2655   96.710 -31.6000  -1.82 -10.89   8.98  -6.92 
1 1 1    5    1    6 o   43.286   0.9918   37.363  100.200   1.34   4.48   0.77  -0.43 
1 1 1    5    1    7 o  112.275   2.5740  108.734  168.600 -10.20  22.48  12.32   9.23 
1 1 1    5    1    8 o   78.726   0.3813   76.946 -82.7000  -0.89  -2.41   0.54  -0.20 
1 1 1    5    1    9 f   33.309   1.5341   43.855  107.600  -9.33   8.77  -0.63   4.50 
1 1 1    5    1   10 o   41.405   1.1441   45.867   64.100   3.30   2.57  -0.45  -1.08 
1 1 1    5    1   11 o   61.445   3.6488   59.820   47.800  12.18  57.53  14.46  -5.14 
1 1 1    5    1   12 o   23.794   0.9806   39.810 -85.8000  -7.06  -0.52  -2.59  -0.13 
1 1 1    5    1   13 o   24.181   0.9190   33.533   4.6000   3.96 -12.22  12.32  11.78 
1 1 1    5    1   14 o   16.564   1.5372   14.087   77.500   6.14  16.49   5.18  -4.28 
1 1 1    5    1   15 o   10.258   1.8090   3.2146 -174.5000  20.86   5.66  -4.22  -2.42 
1 1 1    5    1   16 o   32.947   1.9899   38.047   58.300   8.50  14.60   3.07  -5.03 
1 1 1    5    1   17 o   52.940   0.5888   44.849  163.600  -0.29   1.17   2.02   2.50 
1 1 1    5    1   18 o   31.114   1.1421   36.221 -13.4000   3.73  -2.06  -0.58   0.86 
1 1 1    5    1   19 o   7.4850   0.3665   10.333 -16.0000  -0.59   2.02   0.92   0.56 
1 1 1    5    1   20 o   68.893   1.8568   74.013  138.300  -8.95  20.65   3.45   3.39 
1 1 1    5    1   21 o  158.550   1.0536  166.367  175.400  -2.54   7.34   5.42   0.34 
1 1 1    5    1   22 o   51.708   0.3739   42.097   76.500  -4.32   3.50  -0.42   4.64 
1 1 1    5    1   23 o  101.931   0.6324  102.762   19.400   5.77  -7.31   7.10  10.30 
1 1 1    5    1   24 o   54.074   0.9903   64.595  118.700  -1.98   6.00   1.67   0.99 
1 1 1    5    1   25 f   26.437   1.1440   14.848   63.000   2.22   6.37   1.35  -1.21 
1 1 1    5    1   26 f   42.894   0.4279   45.733 -116.4000  -0.14  -5.42   2.55  -0.42 
1 1 1    5    1   27 o   27.966   0.5237   36.109 -127.8000  -1.01  -6.50   3.95  -0.85 
1 1 1    5    1   28 o   35.429   0.5542   41.231  100.500  -4.80   5.02  -0.31   3.90 
1 1 1    5    1   29 f   33.022   0.9815   40.477 -169.3000   4.42 -12.23   2.96   2.08 
1 1 1    5    1   30 o   8.4930   1.4809   12.096  -6.0000  15.27  -4.38  -3.75   2.21 
1 1 1    5    1   31 o   37.506   0.5330   38.657   44.800  -1.86   5.20   2.49   1.09 
1 1 1    5    1   32 o   34.244   0.9646   32.833   73.300  26.45   2.68 -15.21  -1.08 
1 1 1    5    1   33 o   5.5536   0.5477   9.2792 -73.0000  -0.00  -0.15   0.08  -0.46 
1 1 1    5    1   34 o   15.134   0.4034   10.115   8.4000  -0.47   3.96   2.72   0.10 
1 1 1    5    1   35 o   20.691   0.6963   24.462 -157.6000  -1.98  -1.59  -0.23  -0.43 
1 1 1    5    1   36 o   26.972   0.3490   25.116   85.700   9.92   3.16  -2.98  -3.32 
1 1 1    5    1   37 o   20.795   0.2422   18.284   5.7000   1.47   0.82   0.01  -0.82 
1 1 1    5    1   38 o   8.4161   0.7320   11.073   68.500   8.61  -1.94  -3.58   2.27 
1 1 1    5    1   39 o   6.4790   0.5545   6.8387 -19.3000   0.05  -0.57   0.09   0.05 
1 1 1    5    1   40 f   22.339   0.4165   18.958 -82.6000   0.31  -2.25   0.64  -0.26 
1 1 1    5    2    0 o   18.003   0.1842   15.905 -91.2000   0.00   0.04   0.00   0.00 
1 1 1    5    2    1 o   51.526   2.4546   44.468   15.900  39.66 -14.37 -14.35  10.99 
1 1 1    5    2    2 o   34.522   2.9799   34.260   3.6000  58.73  16.43 -17.11  -9.93 
1 1 1    5    2    3 o   90.521   2.5335   85.423 -167.8000  -9.92   7.25  -1.26   2.49 
1 1 1    5    2    4 o   50.432   2.1176   60.634   54.800  33.17 -10.61 -10.42   6.80 
1 1 1    5    2    5 o   79.238   0.4198   70.041   1.6000   0.54  -0.34   0.16   0.44 
1 1 1    5    2    6 o   19.404   0.1378   15.309 -42.3000  -0.62   1.48   3.68   6.47 
1 1 1    5    2    7 o   41.999   0.5731   57.710 -135.1000  -3.25   2.15  -0.15   6.31 
1 1 1    5    2    8 o  103.649   5.0748  108.106 -121.1000 -18.18 -53.45  13.52  -7.46 
1 1 1    5    2    9 o   13.438   0.6276   16.374   74.700   0.09   3.05   1.73  -0.25 
1 1 1    5    2   10 f   35.919   4.1981   32.936   18.500  66.49  24.35 -11.87 -10.63 
1 1 1    5    2   11 o   57.009   0.5006   57.733   77.100  -5.16   5.56  -3.07   8.61 
1 1 1    5    2   12 o   41.216   0.9940   26.666  118.700  -9.69  -2.81  -8.83  -9.63 
1 1 1    5    2   13 o   47.886   0.7420   35.326 -45.2000   7.65   0.32  -4.61  -1.00 
1 1 1    5    2   14 o   50.499   0.2927   61.564 -90.4000   0.22  -0.24  -0.11   0.16 
1 1 1    5    2   15 o   72.510   1.7400   74.551 -145.8000  -2.48 -18.68  13.39  -1.61 
1 1 1    5    2   16 o   54.643   0.8436   60.135 -132.5000 -14.48   2.07  -5.05   1.82 
1 1 1    5    2   17 o   33.741   1.9537   21.334  176.100 -23.93  19.45  -3.40  14.71 
1 1 1    5    2   18 o   52.827   1.9148   53.744   13.000  16.30   6.29  -3.93  -3.83 
1 1 1    5    2   19 o   57.131   0.5827   74.678 -89.3000 -14.63  -3.42 -11.03  -4.43 
1 1 1    5    2   20 f   67.349   0.5692   62.114 -100.4000  -1.29  -0.26  -0.60  -0.46 
1 1 1    5    2   21 o   42.470   1.0344   40.825  178.000  -6.08  -5.40  -0.12  -3.67 
1 1 1    5    2   22 o   33.548   0.9227   39.693 -133.9000  -7.03  -2.94  -1.26  -1.20 
1 1 1    5    2   23 o   34.235   0.3046   25.209 -30.1000   0.72   0.60   0.01  -0.46 
1 1 1    5    2   24 o   25.838   1.0818   20.465  123.700   2.19   5.05   0.92  -0.89 
1 1 1    5    2   25 o   5.6945   1.5899   21.139 -151.9000  -4.33   3.36  -0.41   1.47 
1 1 1    5    2   26 o   23.103   0.8739   7.9620   93.000  17.84  -0.45 -10.34   0.90 
1 1 1    5    2   27 o   43.155   0.2489   31.670  150.700  -1.36  -1.84  -0.23  -2.91 
1 1 1    5    2   28 o   18.841   1.7563   17.180   16.000  34.27  60.89  11.51 -18.34 
1 1 1    5    2   29 o   30.653   0.3609   28.466 -55.0000   1.47  -0.66  -0.76   0.46 
1 1 1    5    2   30 o   54.605   0.8823   50.194   76.800  -5.18   5.37   0.45   1.79 
1 1 1    5    2   31 f   43.244   0.5983   39.152  116.300  -1.19   4.04   0.71   0.80 
1 1 1    5    2   32 o   19.041   0.8190   16.998 -134.8000  -8.72  -2.37  -1.72  -1.20 
1 1 1    5    2   33 o   19.011   0.6495   21.944 -122.5000  -1.20  -5.18   1.21  -0.81 
1 1 1    5    2   34 o   22.834   0.7695   18.821 -53.3000   2.81  -4.22   0.55   0.92 
1 1 1    5    2   35 o   10.068   0.3565   10.782   51.200   2.38   0.02  -1.65  -0.61 
1 1 1    5    2   36 o   17.297   0.6893   16.545 -93.4000  -2.27  -4.37   0.38  -0.43 
1 1 1    5    2   37 o   24.014   0.6958   18.831 -88.6000  -7.61  -1.60  -1.30  -0.89 
1 1 1    5    2   38 f   8.7921   0.7555   8.8559   46.600   0.27   4.08   0.88  -0.23 
1 1 1    5    2   39 o   14.434   0.2705   13.722  109.000  -0.13   0.76  -1.64   1.51 
1 1 1    5    2   40 o   5.9658   0.6131   4.3319   82.500  -0.17   1.88   0.54   0.29 
1 1 1    5    3    0 o   43.317   0.2764   44.857 -89.5000  -0.00  -0.21   0.00   0.00 
1 1 1    5    3    1 o   65.075   0.3120   75.209  111.200   3.86   5.51   0.88  -5.63 
1 1 1    5    3    2 o   12.330   3.0717   14.590 -36.7000  47.30 -27.43  -7.32  12.60 
1 1 1    5    3    3 o   72.063   1.3011   53.983 -143.8000  -4.29  -3.59  -0.06  -1.51 
1 1 1    5    3    4 o   15.896   0.9152   8.5963 -178.1000  -4.51   5.21   0.41   2.35 
1 1 1    5    3    5 o   56.599   0.2546   49.096   5.9000   0.25   0.52   1.68   0.33 
1 1 1    5    3    6 o   78.817   1.2523   77.804  169.600  -9.00  -6.81  -2.33  -5.11 
1 1 1    5    3    7 o   49.972   1.0045   49.115 -174.0000  -6.47  -1.44  -1.65  -0.51 
1 1 1    5    3    8 f   47.208   0.3497   46.294 -60.7000   1.00  -0.76  -0.76   0.72 
1 1 1    5    3    9 o   14.380   4.6484   12.421  102.300  69.29  35.88  -6.50  -9.00 
1 1 1    5    3   10 o   61.629   1.7657   54.704  -7.0000  15.09 -21.14   5.38  11.08 
1 1 1    5    3   11 o   18.313   0.9091   13.845   25.600   2.13 -10.28   4.90   1.73 
1 1 1    5    3   12 o   20.788   1.3074   10.238  132.900  -2.53   0.80  -0.14   0.11 
1 1 1    5    3   13 o   32.416   2.3875   29.108 -32.0000  28.87 -19.75  -3.97   9.43 
1 1 1    5    3   14 o   61.301   2.4247   64.424  168.900 -41.50  -7.80 -11.35  -5.10 
1 1 1    5    3   15 o   40.283   1.6913   44.484  157.500 -17.99  -8.76  -4.90  -6.81 
1 1 1    5    3   16 o   21.990   0.7085   23.711   22.500   4.23   3.83  -0.28  -2.06 
1 1 1    5    3   17 o   25.717   2.0625   30.260  -3.5000  -5.45  36.14  16.17   5.25 
1 1 1    5    3   18 o   52.437   0.9154   59.762   39.200   8.45  -0.53  -2.38   0.42 
1 1 1    5    3   19 o   65.700   0.3021   73.219  157.200  -1.39  -1.80   0.08  -1.12 
1 1 1    5    3   20 o   21.134   0.4346   24.590  104.800  -4.73   1.55  -5.93   3.56 
1 1 1    5    3   21 o   8.7639   1.2969   12.898   38.500  -4.25   3.40  -0.22   1.06 
1 1 1    5    3   22 o   74.650   0.4593   58.732   5.9000   1.33  -2.41   2.65   2.18 
1 1 1    5    3   23 o   39.358   0.7255   40.064   98.900  -6.08   3.90  -1.78   3.14 
1 1 1    5    3   24 o   34.637   0.2694   34.904  167.500  -0.62  -1.01   0.86  -0.76 
1 1 1    5    3   25 o   26.519   1.6963   21.838 -31.7000  14.14  -0.96  -3.34   0.32 
1 1 1    5    3   26 f   21.102   0.5658   16.877  179.100  -4.15   1.96  -1.03   1.14 
1 1 1    5    3   27 o   17.344   0.4763   21.648 -31.8000   2.71   1.81  -0.33  -0.95 
1 1 1    5    3   28 o   7.6991   0.9712   9.7756 -133.8000  -3.50  -8.49   1.94  -1.84 
1 1 1    5    3   29 f   55.481   0.8308   43.137 -120.6000  -1.01  -6.67   1.33  -0.70 
1 1 1    5    3   30 o   21.082   2.0425   27.887 -31.1000  59.41 -24.98 -17.00  16.35 
1 1 1    5    3   31 o   15.712   0.2393   10.066   59.100   0.01  -0.06  -0.03   0.04 
1 1 1    5    3   32 o   24.752   0.5916   15.566   17.700   9.66 -15.40   5.46   8.64 
1 1 1    5    3   33 o   13.851   0.2777   20.620 -116.3000   0.10   0.05  -0.06   0.00 
1 1 1    5    3   34 o   11.072   0.3285   13.096 -63.4000   1.64  -3.28   1.08   2.10 
1 1 1    5    3   35 f   28.331   0.2274   22.062  169.700  -0.48  -0.22   0.58  -0.10 
1 1 1    5    3   36 o   25.259   0.3432   23.486 -73.3000  -4.90  -3.56  -7.83  -6.50 
1 1 1    5    3   37 o   20.921   0.7301   18.269 -130.7000   4.30 -11.32   2.39   2.96 
1 1 1    5    3   38 o   5.5887   0.5917   7.8123  174.600  -0.91  -0.60  -0.05  -0.32 
1 1 1    5    3   39 o   18.949   0.2726   14.717 -112.5000   0.07   0.19  -0.03   0.10 
1 1 1    5    3   40 f   19.474   0.5208   17.000 -76.0000  -0.13  -1.99   0.38   0.16 
1 1 1    5    4    0 o  101.727   1.1643  101.607 -90.0000  -0.00  -0.98   0.00   0.00 
1 1 1    5    4    1 o   12.757   0.9050   9.1503  125.100 -13.13   2.21  -7.07   2.61 
1 1 1    5    4    2 o   55.419   0.5460   49.262 -70.1000  -1.76  -2.48   2.39  -3.24 
1 1 1    5    4    3 o   30.202   0.4980   34.273  139.300  -3.63  -3.41   1.60 -13.75 
1 1 1    5    4    4 o   62.837   0.7112   60.441   81.400  -8.16   5.56  -1.14   4.21 
1 1 1    5    4    5 o   65.622   2.0785   61.375  109.800 -21.41  10.50  -5.42   6.11 
1 1 1    5    4    6 o   9.4844   2.0876   10.396  156.200 -20.99  10.68  -4.06   5.41 
1 1 1    5    4    7 o   65.020   0.6913   86.553 -73.4000   2.88  -1.44  -1.84   1.00 
1 1 1    5    4    8 o   32.840   0.3858   35.589   10.400  -1.61  -0.78  14.94 -18.25 
1 1 1    5    4    9 o   10.010   0.2070   4.1866 -83.7000  -0.26  -0.25   0.39  -0.98 
1 1 1    5    4   10 o   5.6994   0.1789   7.8224 -125.3000  -0.82  -0.56  -4.22  -4.65 
1 1 1    5    4   11 o   19.501   1.2001   26.250  101.900 -13.43   7.21  -5.32   6.97 
1 1 1    5    4   12 o   37.696   2.8477   29.152   48.000  10.24  39.98   8.07  -4.96 
1 1 1    5    4   13 f   49.450   2.2277   50.694 -75.1000 -16.68 -31.11   5.04  -8.31 
1 1 1    5    4   14 o   35.921   0.1868   14.322 -111.0000  -0.05   0.18   0.19  -0.06 
1 1 1    5    4   15 o   19.835   2.1348   27.239   52.600  14.06  22.70   2.86  -5.94 
1 1 1    5    4   16 o   54.537   0.8275   65.143  114.100  -0.94   4.62   0.97   0.32 
1 1 1    5    4   17 o   58.597   0.4912   57.291   44.000   6.64  -6.80   1.58  11.70 
1 1 1    5    4   18 o   31.387   1.2183   39.058   78.800  12.46   4.88  -3.49  -3.07 
1 1 1    5    4   19 o   65.306   0.7505   74.442 -72.7000  -3.85  -5.46   0.59  -2.26 
1 1 1    5    4   20 o   38.323   2.5112   30.230  126.700 -25.27   9.74  -5.06   4.30 
1 1 1    5    4   21 o   83.600   0.6368   84.996  155.800  -1.86   0.41  -0.59   0.64 
1 1 1    5    4   22 o   27.449   1.8907   18.920 -31.5000  50.14   9.76 -14.01  -5.86 
1 1 1    5    4   23 o   49.798   0.7523   37.598   23.000   3.51   2.67  -0.22  -1.42 
1 1 1    5    4   24 o   31.526   0.9659   12.598   47.200   5.66   3.20  -1.01  -2.05 
1 1 1    5    4   25 o   0.0000   2.0916  ?   ?   -0.03  -0.01  -0.11  -0.17 
1 1 1    5    4   26 o   11.212   1.3408   6.4626 -173.2000 -12.22 -14.41   0.91  -5.07 
1 1 1    5    4   27 o   33.551   0.2122   30.583   57.100  -0.98  -0.40  -6.52   1.37 
1 1 1    5    4   28 o   19.021   1.8184   15.926 -104.4000 -25.87 -67.58  16.98 -15.72 
1 1 1    5    4   29 o   18.363   0.2201   12.847 -20.2000  -0.01   0.39   0.85  -1.46 
1 1 1    5    4   30 o   34.523   0.2220   40.298   57.800  -0.16  -0.05  -0.01  -0.00 
1 1 1    5    4   31 f   7.4939   0.3930   17.503  176.700   0.13  -1.15   0.73   0.31 
1 1 1    5    4   32 o   6.6375   1.2009   11.100   39.200   7.47   4.54  -1.18  -2.07 
1 1 1    5    4   33 o   55.766   0.2847  ?   ?   -0.54   1.15   0.57  -0.20 
1 1 1    5    4   34 o   17.780   0.6363   21.803 -20.2000   6.62  10.73   5.93  -7.24 
1 1 1    5    4   35 o   6.7784   0.6580   1.6771 -179.8000  -4.25   0.02  -1.85   0.27 
1 1 1    5    4   36 o   11.509   0.3222   9.0716   48.700   0.35  -0.40  -1.03   0.52 
1 1 1    5    4   37 o   13.643   0.3536   13.810 -95.4000  -0.58  -2.25   0.85  -0.18 
1 1 1    5    4   38 o   18.546   0.4552   21.538   63.500  -1.18   3.02   1.60   0.51 
1 1 1    5    4   39 o   19.407   0.7107   18.654   47.900   8.56   2.27  -3.75  -0.96 
1 1 1    5    4   40 o   1.9035   1.1459   6.5343  103.600  -1.17   0.62  -0.22   0.22 
1 1 1    5    5    0 o   13.398   0.1440   26.053 -90.8000   0.00   0.02   0.00   0.00 
1 1 1    5    5    1 o   5.4864   0.1856   7.3180 -119.6000  -0.27   0.00  -1.26   0.29 
1 1 1    5    5    2 o   20.673   2.8038   18.600 -114.3000  10.05 -46.34  11.88   5.59 
1 1 1    5    5    3 o   39.251   0.8686   27.337 -174.2000  -2.88  -2.01  -0.32  -0.69 
1 1 1    5    5    4 o   24.733   1.6997   20.639   80.900  29.13  -9.43 -11.01   8.36 
1 1 1    5    5    5 f   22.159   1.1185   18.282   90.800  12.53  12.93  -0.48 -14.12 
1 1 1    5    5    6 o   26.985   3.1675   25.558   54.900  15.92  33.73   5.66  -6.48 
1 1 1    5    5    7 o   8.5468   2.4226   11.363 -73.1000 -22.78 -15.61  -2.18  -5.43 
1 1 1    5    5    8 o   15.270   3.9615   13.752 -143.9000  13.47 -90.72  28.02   8.96 
1 1 1    5    5    9 o   15.062   0.1421   16.863  -3.2000  -0.42   0.21  10.38  -1.20 
1 1 1    5    5   10 o   30.065   2.6013   20.899 -52.1000  27.57 -21.15  -1.51   6.70 
1 1 1    5    5   11 o   37.505   2.0804   31.174   35.800   3.25  32.50  12.26  -1.56 
1 1 1    5    5   12 o   8.2381   1.8201   11.598 -87.9000  26.08  -9.37  -7.47   6.05 
1 1 1    5    5   13 o   12.107   1.4141   29.000 -171.9000  -5.05 -14.49   3.28  -2.68 
1 1 1    5    5   14 o   55.554   0.6921   51.824 -122.3000  -2.30   0.37  -0.51   0.10 
1 1 1    5    5   15 f   92.046   0.9286   64.501  124.300  -0.19   4.39   6.01  -2.15 
1 1 1    5    5   16 o   75.917   1.8863   73.323 -16.8000  18.18 -15.59  -0.95   4.89 
1 1 1    5    5   17 o  100.609   1.1763   91.512 -66.9000  -2.30  -7.05   3.06  -3.15 
1 1 1    5    5   18 o   24.212   1.3002   52.983   52.500   2.47  10.20   2.07  -1.01 
1 1 1    5    5   19 o   72.756   0.9266   74.966  175.000  -3.39   4.92   1.19   2.26 
1 1 1    5    5   20 o   26.987   0.6127   20.993 -153.2000   2.09  -2.46   0.53   1.95 
1 1 1    5    5   21 o   53.830   0.5797   28.421  125.600   1.48   3.53   1.25  -1.03 
1 1 1    5    5   22 o   88.015   1.2946   82.327 -21.6000   9.12 -11.06   0.48   4.94 
1 1 1    5    5   23 o   57.384   0.4836   50.931  120.700  -0.53  -0.04  -0.07  -0.03 
1 1 1    5    5   24 o   62.830   1.0740   64.971 -160.2000  -2.91  -1.46  -0.31  -0.30 
1 1 1    5    5   25 o   23.270   2.1368   34.218 -178.3000 -45.56 -14.07  -9.77  -6.47 
1 1 1    5    5   26 o   48.231   1.5716   46.815  170.500 -14.54  16.26   0.28   6.33 
1 1 1    5    5   27 o   49.618   0.4738   51.269   96.500  15.63   2.09 -22.43  -1.45 
1 1 1    5    5   28 o   22.590   0.5853   28.319   91.600  -4.28   1.13  -2.22   0.89 
1 1 1    5    5   29 o   18.297   1.0179   19.092 -106.7000   7.68 -15.71   3.83   5.49 
1 1 1    5    5   30 o   38.009   1.1944   37.230  -0.7000  10.46  -6.14  -3.05   3.77 
1 1 1    5    5   31 o   17.461   0.2789   6.5856 -18.8000   0.86  -0.45  -0.86   0.46 
1 1 1    5    5   32 o   22.091   2.2282   17.849  136.800 -40.80  35.11  -3.03  15.12 
1 1 1    5    5   33 o   15.984   0.2822   16.941 -109.9000  -0.96   0.35  -0.61   0.19 
1 1 1    5    5   34 o   15.229   0.4091   13.848  135.000   2.81   5.54   1.53  -4.04 
1 1 1    5    5   35 o   35.512   1.2133   26.632  127.400  -7.59  11.80   0.80   3.57 
1 1 1    5    5   36 o   22.157   0.5346   22.698 -94.2000  -6.48  -0.58  -2.83   0.18 
1 1 1    5    5   37 f   14.703   0.2823   19.392 -145.8000   0.08  -2.17   1.19   0.66 
1 1 1    5    5   38 o   12.073   0.4343   9.4624  126.900  -0.80   0.83  -0.04   0.17 
1 1 1    5    5   39 o   7.1720   0.5217   6.8714 -106.4000   0.35  -0.21   0.10   0.25 
1 1 1    5    5   40 o   10.006   0.5970   7.0279 -146.3000  -2.44  -1.40  -0.15  -0.67 
1 1 1    5    6    0 o   2.5690   0.4142   25.394   88.800   0.00   0.00   0.00   0.00 
1 1 1    5    6    1 f   17.552   3.5714   16.611   36.400 -18.66 -77.89  24.16 -12.81 
1 1 1    5    6    2 o   14.125   0.2888   14.428 -32.8000  -0.14   0.97   1.42   0.06 
1 1 1    5    6    3 o   16.805   1.6620   34.722 -113.9000   6.69 -33.63  18.46   8.33 
1 1 1    5    6    4 o   27.907   1.1367   24.012   22.700   0.74  10.66   4.66  -0.28 
1 1 1    5    6    5 o   32.864   0.1609   28.495  142.500  -0.36  -3.31  10.11  -9.19 
1 1 1    5    6    6 o   20.475   3.5300   11.333   27.800  38.96  54.99   6.89 -18.45 
1 1 1    5    6    7 o   9.5837   1.6292   9.1682 -81.6000  -4.41 -16.41   4.61  -2.78 
1 1 1    5    6    8 o   29.634   1.2754   18.401  122.300 -12.06   7.40  -1.94   4.77 
1 1 1    5    6    9 o   47.704   1.8760   56.602  118.300 -13.30  -1.67  -5.82  -2.56 
1 1 1    5    6   10 o   34.010   1.1737   44.615   29.500  13.47 -23.02   7.11  10.53 
1 1 1    5    6   11 o   11.131   2.6935   20.597 -155.2000  -3.48 -45.15  11.76  -1.74 
1 1 1    5    6   12 o   49.674   0.8036   47.631   17.000   3.94  -4.03   0.33   2.15 
1 1 1    5    6   13 o   34.085   0.1797   35.843 -34.4000   2.99   1.14  -4.71  -8.03 
1 1 1    5    6   14 o   59.937   2.2770   67.909 -70.8000  22.25 -15.99  -2.50   8.86 
1 1 1    5    6   15 o   66.373   0.2972   56.551   28.200   1.83  -3.13   0.50   1.40 
1 1 1    5    6   16 o   18.921   1.3761   11.306 -75.0000 -20.42  -2.36 -10.29  -2.25 
1 1 1    5    6   17 o   30.631   0.4459   32.293 -111.3000  -2.02   2.95   1.90   3.85 
1 1 1    5    6   18 o   42.937   0.2415   74.601  145.300  -1.54  -1.87   1.18  -2.98 
1 1 1    5    6   19 o   44.475   1.5354   22.549 -104.1000  -0.20 -13.43   3.46   0.09 
1 1 1    5    6   20 o   28.002   1.5076   44.995 -163.5000 -11.02   2.72  -2.43   1.17 
1 1 1    5    6   21 o   47.129   0.6275   46.941  169.700  -5.03  -4.46  -0.13  -2.35 
1 1 1    5    6   22 o   66.096   2.1995   64.428  170.500 -23.21   9.23  -4.19   4.45 
1 1 1    5    6   23 o   27.204   0.4735   23.652   97.300  -1.79   1.53  -0.49   1.63 
1 1 1    5    6   24 o   41.601   1.7292   54.997  153.700 -21.23  -7.61  -6.88  -6.47 
1 1 1    5    6   25 o   8.3405   2.2640   20.746   9.4000   0.33 -22.53   5.40   0.20 
1 1 1    5    6   26 o   18.913   2.1664   30.057  100.400  29.55  37.86   2.76 -11.80 
1 1 1    5    6   27 o   23.067   0.7737   30.029 -36.2000  13.97   1.39  -4.71  -1.16 
1 1 1    5    6   28 o   11.376   1.6755   6.1431 -146.9000 -12.69 -16.80   1.15  -4.36 
1 1 1    5    6   29 o   22.548   0.7323   23.126 -24.8000   8.62 -17.88   5.75   6.34 
1 1 1    5    6   30 o   26.691   1.3645   13.870 -94.3000  22.96 -17.84  -3.22   9.70 
1 1 1    5    6   31 o   17.014   0.2249   7.7402   49.900  -0.58   0.69   0.06   0.16 
1 1 1    5    6   32 o   13.399   2.1067   21.688   42.600  28.83  42.88   4.32 -11.51 
1 1 1    5    6   33 o   18.422   1.0953   11.526 -167.0000 -15.95  -6.54  -4.89  -5.80 
1 1 1    5    6   34 o   26.222   0.5534   23.715 -29.2000  -2.18 -13.07   5.15  -3.37 
1 1 1    5    6   35 o   4.6954   0.7191   3.2466 -25.9000   0.81  -2.54   0.89   0.46 
1 1 1    5    6   36 o   6.7948   0.4986   9.6801   44.800   0.03  -0.08   0.00   0.00 
1 1 1    5    6   37 o   8.9017   0.5401   6.3401 -102.5000  -1.65  -1.80  -0.07  -0.67 
1 1 1    5    6   38 o   20.916   0.2499   17.607 -57.6000  -0.13   0.09   0.05  -0.04 
1 1 1    5    6   39 f   22.694   0.5166   21.201   49.900   0.41   0.96  -0.11  -0.45 
1 1 1    5    7    0 o   36.217   0.2427   38.978   89.800  -0.00  -0.02   0.00   0.00 
1 1 1    5    7    1 o   43.097   3.0582   41.984 -123.7000 -44.63 -12.09 -13.08  -6.77 
1 1 1    5    7    2 o   17.158   0.7425   10.776  172.900   1.62   9.05   9.45  -4.45 
1 1 1    5    7    3 o   35.639   0.1721   45.761 -67.1000   5.32   1.31  -8.76  -9.30 
1 1 1    5    7    4 o   15.783   1.2017   38.102  103.500 -22.58  11.28 -12.66  15.51 
1 1 1    5    7    5 f   9.1727   2.5981   12.513  133.100 -30.01   0.90  -6.23   0.30 
1 1 1    5    7    6 o   33.352   0.7629   38.362 -43.0000  -6.51 -13.60   9.67 -16.06 
1 1 1    5    7    7 o   70.272   1.8742   76.976 -20.1000  19.49   9.99  -4.63 -10.59 
1 1 1    5    7    8 o   15.712   2.6376   27.056 -149.9000   0.99 -67.86  34.31   1.89 
1 1 1    5    7    9 o   8.9252   2.6007   5.3085   6.8000 -27.86  13.43  -3.45   4.46 
1 1 1    5    7   10 o   71.963   3.4575   66.109 -33.9000  48.47 -47.38   0.23  13.03 
1 1 1    5    7   11 o   40.570   0.2122   30.039  103.300   0.59  -0.47  -0.51   0.62 
1 1 1    5    7   12 o   39.236   0.2837   56.084 -72.2000   2.16  -1.20  -2.67   2.34 
1 1 1    5    7   13 o   70.044   0.3030   62.953 -149.8000   0.08   0.27   0.09   0.81 
1 1 1    5    7   14 o   90.263   1.5366   62.482 -66.8000   0.77 -12.59   4.10   0.02 
1 1 1    5    7   15 o   81.759   1.0600   64.826 -147.5000  -5.30   6.98   3.18   7.10 
1 1 1    5    7   16 o   16.942   2.0886   12.918  155.600 -17.09  31.93   7.32  10.80 
1 1 1    5    7   17 o   62.589   1.2992   62.905 -107.4000  -9.58  -3.90  -2.36  -2.02 
1 1 1    5    7   18 o   56.929   0.2680   57.729  107.300   0.13  -0.04  -0.07  -0.01 
1 1 1    5    7   19 o  102.858   0.4486   95.086  149.200  -3.53  -3.27   0.31  -1.56 
1 1 1    5    7   20 o   62.233   0.8604   53.424 -82.3000  -1.78  -4.84   2.71  -3.14 
1 1 1    5    7   21 o   62.041   0.2832   56.295   94.900   2.21   1.09 -17.70  -4.13 
1 1 1    5    7   22 f   84.223   0.3712   76.303  -3.2000  -2.32   3.05   5.26   4.81 
1 1 1    5    7   23 o   17.985   1.1404   9.6083 -111.8000  -1.91  -6.53   1.99  -1.14 
1 1 1    5    7   24 o   37.577   0.4648   42.286 -176.0000  -3.75  -2.51  -0.91  -1.67 
1 1 1    5    7   25 o   35.503   1.9078   23.673 -154.1000 -43.75  -5.84 -12.29  -3.00 
1 1 1    5    7   26 o   21.286   0.8634   10.431  157.200  -5.53   7.83   0.81   2.65 
1 1 1    5    7   27 o   35.901   2.3005   35.405  115.300 -168.53  19.49 -80.54  16.77 
1 1 1    5    7   28 o   23.331   0.2038   30.191  142.000   0.36   0.12   0.83  -1.38 
1 1 1    5    7   29 o   9.4388   0.6945   11.664  -4.1000   5.31  -1.98  -1.87   1.43 
1 1 1    5    7   30 o   24.954   1.8953   23.874 -61.9000  26.00 -31.09   1.30   9.85 
1 1 1    5    7   31 o   10.614   0.8397   7.7608 -31.1000   4.42   5.46   0.56  -1.98 
1 1 1    5    7   32 o   21.685   0.6782   21.773 -170.3000  -2.62   4.16   0.65   3.41 
1 1 1    5    7   33 o   10.730   0.3167   9.7281 -12.6000   3.68   1.72  -1.60  -1.43 
1 1 1    5    7   34 f   23.863   0.2226   17.028  101.500   0.28   0.45  -0.55   0.03 
1 1 1    5    7   35 f   27.239   0.9433   18.098  131.000  -8.91   6.45  -1.99   3.42 
1 1 1    5    7   36 o   18.229   0.6427   15.203 -114.8000  -3.04  -2.65  -0.16  -0.51 
1 1 1    5    7   37 o   7.8484   0.4749   11.961 -87.3000   2.86  -1.29  -1.82   1.21 
1 1 1    5    7   38 o   10.617   0.5989   9.5145   11.300   1.34  -2.75   0.83   0.64 
1 1 1    5    7   39 o   6.2907   1.8999   7.5671 -84.3000  -5.40  -2.81  -0.77  -0.86 
1 1 1    5    8    0 f   4.3932   0.3373   7.3151 -91.6000   0.00   0.01   0.00   0.00 
1 1 1    5    8    1 o   73.893   4.4602   67.401 -41.5000  33.06 -56.46   9.22  14.00 
1 1 1    5    8    2 o   39.489   1.1257   24.798 -113.9000   9.52 -10.94   0.25   6.13 
1 1 1    5    8    3 o   59.899   4.7373   60.011  137.300  22.86 111.57  42.26 -20.89 
1 1 1    5    8    4 f   25.118   0.6110   31.982  107.200   5.77  -0.40 -10.04   3.58 
1 1 1    5    8    5 o   36.256   1.5741   35.151  127.000   9.00  12.42   1.95  -4.45 
1 1 1    5    8    6 o   44.067   0.5997   40.432   84.300   1.15  -0.65  -0.05   0.21 
1 1 1    5    8    7 o   39.941   1.2018   18.327  177.000  -7.38 -10.66   1.05  -4.30 
1 1 1    5    8    8 o   13.276   1.1364   16.177 -170.5000  -7.37   7.70   0.33   3.80 
1 1 1    5    8    9 o   36.729   0.4184   47.685 -83.3000  -5.18  -0.13  -3.59   0.29 
1 1 1    5    8   10 o   49.648   1.2350   56.406   43.700  12.19  -0.61  -3.76   0.68 
1 1 1    5    8   11 o   63.071   3.5339   56.380 -78.1000  51.02 -51.86  -0.52  20.85 
1 1 1    5    8   12 o   76.627   1.8976   81.006 -132.8000 -20.86  -2.05  -5.35  -0.69 
1 1 1    5    8   13 o   55.873   1.6782   65.902 -28.4000   6.29 -12.34   2.21   2.70 
1 1 1    5    8   14 f   95.884   0.4046   86.018  130.700  -2.81  -0.65  -1.36  -1.20 
1 1 1    5    8   15 o   22.866   0.1746   28.720   37.000  -3.21   2.23  -2.73   5.89 
1 1 1    5    8   16 o   36.146   1.6290   29.420   59.300  39.42  11.35 -16.07 -10.61 
1 1 1    5    8   17 o   50.007   0.2383   49.315 -161.6000  -1.60  -3.35   1.22  -1.22 
1 1 1    5    8   18 o   53.641   1.9371   57.819  170.600 -22.36  -4.04  -5.17  -2.24 
1 1 1    5    8   19 o   8.5065   1.0361   10.527 -156.2000   3.52  -5.45   0.81   1.90 
1 1 1    5    8   20 o   6.4339   1.2332   8.9695   56.400  -9.46   8.31  -0.66   4.75 
1 1 1    5    8   21 o   32.537   0.8189   41.877   55.500   2.08   3.03   0.42  -0.89 
1 1 1    5    8   22 o   54.905   2.1316   43.865 -156.3000 -45.47 -15.13 -15.04 -10.24 
1 1 1    5    8   23 o   16.829   2.5118   18.674 -17.0000   6.30 -32.66   7.68   2.93 
1 1 1    5    8   24 f   50.284   1.0107   28.795  121.200  -7.90  -1.26  -3.98  -1.89 
1 1 1    5    8   25 o   42.249   0.8237   34.508   48.800  -5.85  24.26   9.24   3.98 
1 1 1    5    8   26 o   14.428   0.2713   6.4576 -65.2000   1.53  -0.49  -0.24   0.19 
1 1 1    5    8   27 o   12.896   1.1019   18.014 -155.4000 -19.06  -2.26  -7.60  -2.11 
1 1 1    5    8   28 o   13.429   0.8132   13.282 -99.0000  -3.12  -8.91   2.24  -1.98 
1 1 1    5    8   29 o   28.608   1.8864   26.365 -25.3000  21.82 -53.28  11.26  10.05 
1 1 1    5    8   30 o   26.343   0.7043   30.790 -104.7000   6.40  -3.10  -1.50   1.43 
1 1 1    5    8   31 o   20.000   0.9895   20.340  107.100 -13.73   5.97  -2.46   3.12 
1 1 1    5    8   32 f   17.130   1.0073   27.497   53.200  32.50  10.64 -11.84  -7.64 
1 1 1    5    8   33 o   9.5987   0.9209   9.0161 -115.2000   3.84  -7.18   1.22   2.38 
1 1 1    5    8   34 o   14.487   0.4592   10.069   59.000   1.86   2.22   0.45  -0.99 
1 1 1    5    8   35 o   12.312   0.4933   9.3538   14.300  -0.55   6.00   4.41   1.86 
1 1 1    5    8   36 o   4.2463   0.6638   1.4254   79.300  -0.14  -0.16   0.32   0.76 
1 1 1    5    8   37 o   18.846   0.5607   20.833 -106.7000  -2.69  -4.57   0.44  -1.40 
1 1 1    5    8   38 o   18.737   0.2911   22.228 -81.0000  -0.57  -2.03   0.67  -0.04 
1 1 1    5    8   39 o   7.2663   1.3577   9.4404   94.500  -0.05   3.91   0.59  -0.09 
1 1 1    5    9    0 f   35.595   0.2455   30.457   89.700  -0.00  -0.38   0.00   0.00 
1 1 1    5    9    1 o   45.988   2.6794   26.193  154.600 -29.24  -7.01  -7.27  -2.99 
1 1 1    5    9    2 o   31.019   1.0671   33.244  135.700  -4.69  15.11   8.76   4.65 
1 1 1    5    9    3 o   9.5537   1.8069   4.5489 -126.1000   2.47 -23.16   7.08   1.67 
1 1 1    5    9    4 o   34.868   0.7762   40.513 -37.8000   2.43  -2.06   0.10   1.39 
1 1 1    5    9    5 o   70.058   5.5757   79.826  148.000 -140.01  47.42 -30.28  20.53 
1 1 1    5    9    6 o   16.801   2.9408   28.185   28.500  39.77  43.95   2.08 -17.12 
1 1 1    5    9    7 o   57.130   0.7794   53.989 -43.5000   0.97  -1.61   0.38   0.30 
1 1 1    5    9    8 o   35.265   1.5986   22.628   60.500  12.77  16.25   1.35  -6.84 
1 1 1    5    9    9 o   22.670   0.5506   18.129  168.800  -0.70   3.93   1.48   0.67 
1 1 1    5    9   10 o   64.859   1.6716   59.483 -24.7000   2.57 -18.75   7.44   1.31 
1 1 1    5    9   11 o   95.441   2.0968   96.599  127.400  12.05  22.87   6.58 -12.54 
1 1 1    5    9   12 o   33.381   0.5045   35.846 -118.0000  -0.99   1.03   0.08   0.52 
1 1 1    5    9   13 o   11.368   0.8043   12.608  -1.4000 -12.14   7.06  -6.20  10.51 
1 1 1    5    9   14 o   56.180   1.0784   60.760   4.9000   7.12  -9.81   3.25   7.93 
1 1 1    5    9   15 o   32.111   0.3176   52.616   80.700   1.06   0.23  -0.78  -0.23 
1 1 1    5    9   16 o   84.890   1.9213   70.021   41.800   4.77  15.99   5.62  -4.46 
1 1 1    5    9   17 o   38.793   0.9454   55.942 -67.4000   3.28  -6.49   0.97   1.51 
1 1 1    5    9   18 o   53.363   1.1997   57.402  134.100  -6.66   6.79  -0.08   1.64 
1 1 1    5    9   19 o   41.470   2.1683   42.269 -155.0000  -7.14 -40.32   8.83  -3.42 
1 1 1    5    9   20 o   7.6431   0.3606   13.084 -48.4000   0.02  -1.62   8.21  -0.64 
1 1 1    5    9   21 o   30.828   0.2648   21.012  102.100   1.88  -0.54  -1.07   0.95 
1 1 1    5    9   22 o   40.875   1.1523   35.497   0.1000   6.61   5.45  -0.65  -2.25 
1 1 1    5    9   23 o   14.712   0.2497   24.900 -129.3000   1.77  -1.40  -2.43   5.93 
1 1 1    5    9   24 o   18.398   0.5499   26.883 -120.2000   2.96  -3.57   0.37   2.99 
1 1 1    5    9   25 o   16.367   0.5263   22.916 -85.6000  10.13   0.02 -25.80  -2.80 
1 1 1    5    9   26 o   19.818   0.2094   23.391 -115.2000  -0.24  -0.37   0.66  -0.49 
1 1 1    5    9   27 o   43.730   2.7792   42.784 -169.1000 -73.72   5.90 -18.65   2.10 
1 1 1    5    9   28 o   42.565   0.6307   43.798 -154.1000  -3.41  -3.53  -0.11  -0.84 
1 1 1    5    9   29 f   29.417   0.3956   18.971   93.900   4.07  -1.62  -7.13   2.08 
1 1 1    5    9   30 o   13.449   1.4180   16.208 -107.3000  -1.59 -23.81   6.08  -0.56 
1 1 1    5    9   31 o   13.634   1.5964   17.337 -113.2000 -26.76 -14.87  -4.50  -6.60 
1 1 1    5    9   32 o   6.2427   0.5085   11.093 -84.8000  -1.33  -2.11   0.33  -1.05 
1 1 1    5    9   33 o   12.424   0.6048   6.1367   38.600  -0.23  -1.37   0.15  -0.02 
1 1 1    5    9   34 o   16.429   0.7448   14.073 -166.1000  -6.90   0.80  -1.70   0.67 
1 1 1    5    9   35 o   21.156   0.6341   22.881  170.000  -5.93  -0.89  -2.09  -1.27 
1 1 1    5    9   36 o   11.553   0.3371   10.011 -148.0000  -0.30   0.40   0.23   0.15 
1 1 1    5    9   37 o   9.2583   0.5142   7.1815 -73.9000   1.95  -1.02  -0.52   0.44 
1 1 1    5    9   38 o   4.6753   0.9007   4.9690 -112.4000  -0.12  -0.90   0.11  -0.01 
1 1 1    5   10    0 o   25.745   0.2023   28.208   89.600   0.00   0.02   0.00   0.00 
1 1 1    5   10    1 o   53.154   0.8210   33.004 -176.5000  -9.17   0.85  -2.96  -0.02 
1 1 1    5   10    2 o   23.062   1.2337   25.131 -83.2000  -1.07  -6.02   1.09  -0.50 
1 1 1    5   10    3 f   52.064   2.0833   53.219 -179.4000 -22.34  51.16  30.40  26.07 
1 1 1    5   10    4 f   49.595   0.3320   44.704  102.100  -2.42   1.27  -5.14   0.78 
1 1 1    5   10    5 o   38.760   0.3365   38.978   37.700  -1.08  -0.82  -0.25  -0.49 
1 1 1    5   10    6 o   37.935   2.0680   37.251  130.900  -6.18  28.52   7.58   3.11 
1 1 1    5   10    7 o   67.916   2.7827   62.410  147.800 -47.51  13.17 -11.51   6.10 
1 1 1    5   10    8 o   15.217   0.1526   4.4267 -55.0000  -0.40  -0.60   0.21  -1.63 
1 1 1    5   10    9 o   29.730   1.8882   26.917   31.000  16.94   7.28  -2.98  -2.99 
1 1 1    5   10   10 o   29.273   0.5572   13.467   71.800  -4.86   0.05  -1.81  -0.07 
1 1 1    5   10   11 o   11.645   0.6201   18.327   60.200   1.06   1.80   0.26  -0.49 
1 1 1    5   10   12 o   37.354   1.3243   34.241  134.000  -2.86   7.01   1.06   0.97 
1 1 1    5   10   13 o  117.233   2.0322  122.095 -51.7000   8.62  -9.48   0.93   4.16 
1 1 1    5   10   14 o   64.082   1.4506   61.613   97.500   2.52   9.91   3.45  -2.21 
1 1 1    5   10   15 o   57.645   0.2614   49.378 -30.6000   1.20   1.15   1.88  -4.17 
1 1 1    5   10   16 o   72.657   1.4658   75.406 -66.0000  -8.24 -14.14   2.82  -6.71 
1 1 1    5   10   17 o   36.432   1.5630   13.777 -95.6000  -8.40 -12.87   2.10  -5.54 
1 1 1    5   10   18 o   92.716   1.3673   88.082 -138.6000 -15.56 -18.23   1.38  -5.90 
1 1 1    5   10   19 o   32.137   0.6013   36.599 -53.0000   3.17  -4.54   1.02   2.37 
1 1 1    5   10   20 o   17.731   0.2683   20.334 -68.5000   0.17  -1.05   1.23   0.67 
1 1 1    5   10   21 o   32.826   0.8209   40.445   14.900   4.01  -1.48  -1.12   1.22 
1 1 1    5   10   22 o   33.395   0.3761   30.252 -81.8000  -5.26  -2.29  -5.92  -4.30 
1 1 1    5   10   23 o   23.666   0.6301   32.048   23.100  -0.97  12.03  14.05   3.29 
1 1 1    5   10   24 o   6.8581   0.8357   9.5982 -124.2000  -2.57  -0.66  -0.41  -0.24 
1 1 1    5   10   25 o   11.891   2.5568   19.629 -25.5000  69.90 -42.64 -10.43  19.79 
1 1 1    5   10   26 o   20.065   0.4124   22.420   5.6000   0.58  -1.55   0.40   0.25 
1 1 1    5   10   27 o   13.613   0.6291   17.240 -116.3000  -2.78  -4.75   0.84  -1.29 
1 1 1    5   10   28 o   23.862   0.2038   19.051 -162.0000  -0.49   0.01  -0.42   1.09 
1 1 1    5   10   29 o   32.116   1.3176   44.323 -70.2000  -8.29 -27.47   6.26  -4.95 
1 1 1    5   10   30 o   18.649   0.2294   19.355 -74.3000   0.95   0.69   0.04  -0.65 
1 1 1    5   10   31 o   18.109   0.6880   14.892  123.100  -3.78   6.00   1.43   2.18 
1 1 1    5   10   32 o   15.305   0.2629   15.938   47.900  -0.42   1.29   0.28   1.14 
1 1 1    5   10   33 o   15.583   1.0118   10.252   23.400   0.53  18.12   5.92  -0.94 
1 1 1    5   10   34 o   14.974   0.2621   11.962  130.500  -1.04   0.17  -0.20   0.16 
1 1 1    5   10   35 o   15.323   0.8644   19.091   61.000  16.16   0.20  -5.83   0.61 
1 1 1    5   10   36 o   5.5466   0.8287   5.8844  141.000  -0.10   1.29   0.14   0.00 
1 1 1    5   10   37 o   20.212   0.3544   24.618 -88.1000   1.54  -1.10  -0.93   0.53 
1 1 1    5   10   38 o   3.2392   1.4930   4.6393 -54.3000   0.13   1.52   0.52   0.06 
1 1 1    5   11    0 o   41.990   0.2733   56.793 -90.9000   0.00   0.19   0.00   0.00 
1 1 1    5   11    1 f   42.307   2.5958   35.190  122.100  34.52  33.37  -0.03 -12.22 
1 1 1    5   11    2 o   4.4465   0.3010   10.116 -12.6000   0.01  -0.48   0.23   0.02 
1 1 1    5   11    3 o   28.796   3.5094   35.455 -104.9000  11.45 -93.47  22.69   6.00 
1 1 1    5   11    4 f   25.087   1.5501   8.2952 -33.9000  10.20   4.88  -1.06  -1.40 
1 1 1    5   11    5 o   21.883   0.9205   14.739  176.800 -12.45  -4.65  -6.50  -6.23 
1 1 1    5   11    6 o  113.845   1.2158  119.065 -131.2000  -3.98  -2.45  -0.88  -0.83 
1 1 1    5   11    7 f   8.9626   1.2768   9.5510  -9.7000 -12.09  10.52  -0.88   6.81 
1 1 1    5   11    8 o   72.036   1.6206   62.958   64.100  15.41   5.43  -7.71  -4.92 
1 1 1    5   11    9 o   34.380   0.8319   49.164 -151.9000   2.50  -8.12   5.31   3.06 
1 1 1    5   11   10 o   53.437   0.7913   44.489   93.800  -6.76   0.25  -4.94   1.08 
1 1 1    5   11   11 o  116.501   2.4096  122.992   65.100   5.84  18.83   4.29  -3.58 
1 1 1    5   11   12 o   50.969   1.7392   29.315 -38.9000  16.63  -1.45  -3.78   0.53 
1 1 1    5   11   13 o   61.749   0.2833   65.298 -10.0000   1.27   1.75  22.51  -7.29 
1 1 1    5   11   14 o   38.463   1.1008   23.158 -158.4000 -10.94  11.55   0.11   5.80 
1 1 1    5   11   15 o   20.525   0.5040   22.502  167.300   0.09   6.45   4.88   0.18 
1 1 1    5   11   16 o   18.973   0.6875   19.300 -141.4000   0.68  -4.08   1.50   0.60 
1 1 1    5   11   17 o   32.052   1.7091   40.469   34.100   0.68  54.46  24.81  -1.06 
1 1 1    5   11   18 o   61.705   1.0725   54.041 -173.2000  -7.34  -1.70  -4.15  -1.47 
1 1 1    5   11   19 o   27.806   0.4697   39.433  172.400  -0.39  -1.01   0.79  -1.28 
1 1 1    5   11   20 o   32.960   0.7707   14.239 -152.9000  -2.19  -0.15  -0.65  -0.01 
1 1 1    5   11   21 o   31.728   0.9377   32.048   17.400   3.01  -3.79   0.42   1.26 
1 1 1    5   11   22 o   45.376   2.3001   28.866 -172.2000 -51.49   3.01 -14.14   1.20 
1 1 1    5   11   23 o   20.094   0.6444   10.547   93.100  -2.67   0.86  -0.51   0.31 
1 1 1    5   11   24 o   40.655   0.2361   34.408 -129.3000   0.43  -1.01   0.28   1.16 
1 1 1    5   11   25 o   16.491   0.4126   7.9158 -47.1000  12.71   6.99  -6.99 -12.60 
1 1 1    5   11   26 o   11.083   1.0332   5.4902   40.900   1.97   6.64   1.00  -0.60 
1 1 1    5   11   27 o   7.2764   0.9403   8.2838  108.200  -8.18  -0.89  -2.35  -0.61 
1 1 1    5   11   28 o   19.944   0.2100   29.598 -130.8000   0.29   0.08   0.12   1.00 
1 1 1    5   11   29 o   18.147   0.6224   23.339   82.700  -2.71   6.93   2.29   1.66 
1 1 1    5   11   30 o   18.345   1.8808   23.160  156.400 -43.17 -21.39  -6.63  -9.54 
1 1 1    5   11   31 o   24.377   0.2095   24.602 -123.0000   2.11  -1.57  -1.69   1.77 
1 1 1    5   11   32 o   8.8372   0.3939   4.8310  -4.9000   0.13  -0.19   0.12  -0.51 
1 1 1    5   11   33 o   10.456   0.5618   9.2465   39.600   1.39   3.18   0.82  -1.38 
1 1 1    5   11   34 o   16.571   0.6150   16.510 -178.4000  -3.14   4.24   0.75   1.40 
1 1 1    5   11   35 f   12.758   0.6236   17.296 -128.3000  -4.57   2.63  -1.02   1.22 
1 1 1    5   11   36 o   3.2818   1.5192   1.2459 -109.0000   2.32  -0.79  -0.59   0.68 
1 1 1    5   11   37 o   11.966   0.4344   9.0209  -2.3000   2.83   1.50  -0.36  -2.19 
1 1 1    5   11   38 o   13.391   0.6669   13.153 -157.4000  -1.79  -0.88  -0.08  -0.25 
1 1 1    5   12    0 o   47.120   0.2953   42.781   89.700  -0.00  -0.26   0.00   0.00 
1 1 1    5   12    1 o   87.052   3.7337   93.762   2.0000  66.73 -39.30  -9.58  20.17 
1 1 1    5   12    2 o   65.358   1.9833   49.509 -41.5000   7.48 -21.34   5.55   3.73 
1 1 1    5   12    3 o   22.346   0.1557   16.670 -85.5000   2.40   0.98  -2.84  -4.16 
1 1 1    5   12    4 o   19.704   0.7913   16.151 -69.4000   1.89  -0.79  -0.18   0.17 
1 1 1    5   12    5 o   30.647   0.3938   26.749  -5.6000   1.41  -3.58   3.17   2.32 
1 1 1    5   12    6 o   55.754   2.0741   46.130 -124.8000  16.53 -34.45   8.71  11.91 
1 1 1    5   12    7 o   46.248   1.1499   41.052   91.400 -13.56   5.73  -3.82   3.52 
1 1 1    5   12    8 o   78.951   2.4538   91.576   67.600  -0.21  35.06   8.12   0.54 
1 1 1    5   12    9 o  135.021   2.1362  124.958   73.700  -9.45   7.35  -0.32   3.83 
1 1 1    5   12   10 o   8.0598   0.2512   25.409  -7.7000   0.08   0.70   2.33  -0.29 
1 1 1    5   12   11 o   94.815   0.4529   71.099  -2.8000   3.72   3.91   0.47  -2.13 
1 1 1    5   12   12 o   21.945   1.2603   24.518   47.700  11.30  12.02   0.28  -6.82 
1 1 1    5   12   13 o   37.110   0.8589   27.992  109.700 -10.33  -3.24  -4.45  -3.45 
1 1 1    5   12   14 o   10.347   2.0733   9.2237 -17.1000  12.46 -20.14   2.74   5.63 
1 1 1    5   12   15 o   39.728   2.0635   38.812  129.000  11.53  30.73   7.85  -7.39 
1 1 1    5   12   16 o   23.730   3.1362   35.789 -83.9000  19.31 -105.43  22.45   8.34 
1 1 1    5   12   17 o   30.353   2.3604   17.125 -19.8000  52.13 -11.44  -9.68   4.33 
1 1 1    5   12   18 o   59.677   1.4406   63.449 -153.4000  -6.65 -13.08   1.69  -2.04 
1 1 1    5   12   19 o   23.202   0.3771   23.510  102.500   1.21   1.42  -0.10  -2.40 
1 1 1    5   12   20 o   20.002   1.1729   20.766  157.600  -4.12   7.38   1.37   2.01 
1 1 1    5   12   21 o   11.090   1.0906   9.3629 -147.8000  -0.06  21.80  10.68  -0.13 
1 1 1    5   12   22 o   43.027   0.8910   24.436 -135.4000 -15.95   3.58  -5.52   2.07 
1 1 1    5   12   23 o   17.977   0.3062   11.314  100.500   1.98   3.46   1.62  -2.23 
1 1 1    5   12   24 o   22.326   0.5815   23.071 -41.8000   6.17  -4.06  -0.73   2.05 
1 1 1    5   12   25 o   6.1525   0.4187   10.255  -9.7000   2.80  -0.98  -1.65   1.13 
1 1 1    5   12   26 o   35.589   0.2216   36.944   95.900  -0.87  -0.66   0.08  -0.43 
1 1 1    5   12   27 o   21.223   1.5986   15.107   32.900  30.51  13.28  -5.50  -5.39 
1 1 1    5   12   28 o   50.047   0.7260   41.578 -174.6000  -6.91  10.28   5.34   5.72 
1 1 1    5   12   29 f   9.5560   0.4392   9.7282 -32.5000   2.50  -3.65   1.07   1.97 
1 1 1    5   12   30 o   11.796   1.3824   14.409 -51.1000   8.71 -12.04   0.91   2.38 
1 1 1    5   12   31 o   4.5535   0.6025   10.609   1.7000   1.96  -0.28  -1.31   0.04 
1 1 1    5   12   32 o   8.0096   0.5425   10.607 -120.2000  -1.13  -2.64   0.73  -1.18 
1 1 1    5   12   33 o   15.753   0.2607   21.484   2.1000  -0.17  -0.31  -0.17  -0.22 
1 1 1    5   12   34 o   8.8693   0.4249   10.363  174.700  -0.74  -1.11   0.19  -0.24 
1 1 1    5   12   35 f   10.182   0.8272   11.152   46.400  10.21  -6.56  -1.58   5.13 
1 1 1    5   12   36 o   2.1074   1.0946   2.6684 -31.1000  -0.17  -0.01   0.06  -0.24 
1 1 1    5   12   37 o   17.528   0.2806   18.676 -53.7000   1.38  -0.48   0.05  -2.65 
1 1 1    5   13    0 f   34.654   0.2677   26.689 -90.8000   0.00   0.18   0.00   0.00 
1 1 1    5   13    1 o   77.598   0.3349   83.823 -76.9000   0.87  -0.58  -1.98   0.45 
1 1 1    5   13    2 o   73.184   0.5881   73.097 -10.9000   4.62   6.62   3.18  -5.27 
1 1 1    5   13    3 o  127.287   0.5239  128.788 -131.7000  -0.08  -0.00  -0.00   0.00 
1 1 1    5   13    4 f   44.982   1.4937   58.427  140.200  -9.65  11.82   1.33   5.09 
1 1 1    5   13    5 o   86.730   2.1060   83.089 -150.6000  -9.30  -6.89  -0.56  -1.42 
1 1 1    5   13    6 o  102.666   0.4167  100.928 -148.9000  -0.18  -1.41   0.89   0.19 
1 1 1    5   13    7 f   90.461   1.0813   83.378  115.600  17.27  11.12  -6.44 -21.41 
1 1 1    5   13    8 o   54.204   1.3513   53.428   92.800 -21.62   5.52  -8.17   4.02 
1 1 1    5   13    9 f   57.857   1.3130   43.983 -106.2000  -3.25  -9.29   1.78  -1.57 
1 1 1    5   13   10 o   30.204   1.7059   51.484  165.500 -16.90  19.43   1.28   7.95 
1 1 1    5   13   11 o   7.7586   0.3668   13.501 -128.4000   1.07  -6.59  14.47   5.54 
1 1 1    5   13   12 o   87.951   1.9005   76.882 -49.4000  15.91 -12.65  -1.23   4.09 
1 1 1    5   13   13 o   25.881   2.6547   16.604 -152.3000 -42.28   2.22 -11.47   1.44 
1 1 1    5   13   14 o   38.099   2.5078   40.417  163.100 -31.61   3.92  -7.79   1.70 
1 1 1    5   13   15 o   41.324   0.7243   24.903 -164.1000  -3.18  -6.46   1.14  -1.65 
1 1 1    5   13   16 o   23.277   0.2086   15.971  154.400  -0.81   0.07  -0.92   0.01 
1 1 1    5   13   17 o   38.220   1.9729   39.615   42.900  13.47  11.57  -0.70  -3.67 
1 1 1    5   13   18 o   64.338   0.5465   47.490 -146.8000   2.45  -2.43  -0.36   1.48 
1 1 1    5   13   19 o   41.477   0.9257   35.069 -172.8000  -4.27  -1.98  -1.23  -1.08 
1 1 1    5   13   20 o   9.9862   0.4800   10.602 -31.2000   1.42  -1.04  -0.16   0.43 
1 1 1    5   13   21 o   44.312   0.5041   41.086 -26.6000   0.58  -6.24   3.86   0.17 
1 1 1    5   13   22 o   10.031   1.2325   13.773 -92.1000  15.87  -4.82  -4.44   3.10 
1 1 1    5   13   23 o   6.4672   0.9634   9.3779  125.400  10.42   9.36  -1.19  -8.49 
1 1 1    5   13   24 o   31.157   0.5473   30.530  179.300  -5.26   3.22  -0.77   2.28 
1 1 1    5   13   25 o   20.101   0.6247   13.944  142.500   1.92   4.91   0.94  -1.05 
1 1 1    5   13   26 o   2.1471   1.0481   6.0316  122.400  -1.72  -1.52  -0.09  -0.51 
1 1 1    5   13   27 o   32.015   0.2098   30.847   80.800  -2.15   0.46  -1.28  -0.04 
1 1 1    5   13   28 o   8.5950   0.3875   10.400 -106.0000   0.06   0.84   0.48   0.07 
1 1 1    5   13   29 o   32.919   0.6504   34.271   74.800 -10.07  11.47  -0.49   6.85 
1 1 1    5   13   30 o   7.6568   0.4934   8.0228 -37.6000   4.46  -0.58  -2.48   1.06 
1 1 1    5   13   31 f   14.956   1.0647   5.6268 -101.7000   2.24 -14.20   3.88   0.76 
1 1 1    5   13   32 o   14.581   0.6926   15.743 -58.4000   8.67   2.09  -3.14  -2.35 
1 1 1    5   13   33 o   17.775   1.0222   18.190   52.400   4.27  11.72   1.84  -1.96 
1 1 1    5   13   34 o   8.4496   1.2102   13.210  169.400  -8.84   1.79  -1.63   0.88 
1 1 1    5   13   35 o   12.613   0.3443   17.073 -96.4000   0.66  -0.55   0.07   0.20 
1 1 1    5   13   36 o   4.0161   1.0213   5.7422  145.000  -1.54   1.42  -0.25   0.70 
1 1 1    5   13   37 o   7.8021   0.5254   7.3559   30.400   0.99  -0.54  -0.42   0.15 
1 1 1    5   14    0 o   10.945   0.3065   16.114   87.900  -0.00  -0.01   0.00   0.00 
1 1 1    5   14    1 o   79.092   2.6793   79.735 -39.3000  35.08   8.18 -10.49  -4.57 
1 1 1    5   14    2 o   25.376   0.9734   35.063   40.600   2.52  12.00   3.91  -1.61 
1 1 1    5   14    3 o   98.044   2.1143  111.907 -99.4000 -18.26  -9.20  -5.80  -6.45 
1 1 1    5   14    4 o   55.093   0.6267   45.893 -51.7000   2.13  -0.25  -0.51   0.06 
1 1 1    5   14    5 f   47.280   0.5775   41.450  161.700   0.52  -4.29   1.60   0.26 
1 1 1    5   14    6 f   54.868   0.7259   60.453 -174.7000  -0.93  -9.52   9.24  -0.84 
1 1 1    5   14    7 o   25.649   0.1594   6.0444  -5.2000   0.05   0.12   0.06  -0.22 
1 1 1    5   14    8 o   97.067   1.4699   89.282   82.900  -3.62   9.13   1.66   2.00 
1 1 1    5   14    9 o   74.205   1.5611   77.285   79.400 -23.51  13.01  -4.71   8.66 
1 1 1    5   14   10 f   56.011   1.1539   69.966 -54.6000   8.77   1.97  -2.79  -1.59 
1 1 1    5   14   11 o   79.229   0.9612   72.358 -42.9000  -4.92 -12.37   4.20  -5.60 
1 1 1    5   14   12 o   52.349   0.2500   35.970  135.600  -0.21   0.47  -0.24  -3.44 
1 1 1    5   14   13 f   93.262   0.3847   86.186  140.600   1.28   2.26   0.24  -2.01 
1 1 1    5   14   14 o   22.790   0.1919   19.833   6.3000   1.54  -1.09  -1.72   3.28 
1 1 1    5   14   15 o   55.155   0.9268   61.456  173.000  -7.40 -15.91   6.64  -6.88 
1 1 1    5   14   16 o   18.506   0.4683   26.565   40.600  -3.91   7.67   6.19   9.98 
1 1 1    5   14   17 o   38.908   0.7041   52.239 -37.5000   8.09   3.40  -5.28  -7.96 
1 1 1    5   14   18 o   35.005   0.8963   32.661 -124.3000  -4.86  -2.26  -0.84  -1.23 
1 1 1    5   14   19 f   46.318   2.0185   43.885  154.300 -45.36  22.39  -9.58  11.58 
1 1 1    5   14   20 o   32.083   0.5625   32.813   89.900  12.15   0.11  -6.47  -0.56 
1 1 1    5   14   21 o   27.167   0.9253   28.279 -154.9000   2.78 -26.44  14.15   3.79 
1 1 1    5   14   22 o   6.8883   0.3995   7.6619 -113.6000  -0.76   0.25  -4.35   1.08 
1 1 1    5   14   23 f   3.2242   0.7388   7.2888 -73.2000   0.29  -0.74   0.12   0.10 
1 1 1    5   14   24 o   19.153   0.3053   24.199 -29.3000  -1.99  -4.22   2.60  -4.74 
1 1 1    5   14   25 o   7.1218   0.6133   8.1166   73.300  -0.74   0.81   0.00   0.09 
1 1 1    5   14   26 o   7.4533   0.4325   4.2832 -140.2000   0.07  -0.50   0.10   0.01 
1 1 1    5   14   27 f   5.0812   0.5234   7.9232   71.600  -1.16  -0.98   0.08  -1.54 
1 1 1    5   14   28 f   27.049   0.2692   36.351  146.800  -0.58  -0.31   1.34  -0.20 
1 1 1    5   14   29 o   9.5515   0.4976   4.6779   95.600  -5.14   2.12  -1.69   1.34 
1 1 1    5   14   30 o   17.051   0.2355   20.640   44.300   1.05   0.57  -1.16   4.47 
1 1 1    5   14   31 o   18.832   1.0903   19.973 -26.7000  18.90  -0.31  -5.45  -0.44 
1 1 1    5   14   32 o   24.868   0.6052   23.423 -118.6000  -6.67  -0.42  -3.84   0.92 
1 1 1    5   14   33 o   9.7680   0.4196   10.676 -20.8000  -0.32   0.05  -0.01   0.00 
1 1 1    5   14   34 o   10.698   0.3858   3.2786 -79.7000   1.13  -2.37   0.35   0.82 
1 1 1    5   14   35 o   8.7488   0.4493   6.5489  177.800  -1.17   0.09  -0.85  -0.53 
1 1 1    5   14   36 o   12.581   0.3495   12.598 -92.1000  -2.16  -2.61   1.41  -1.45 
1 1 1    5   15    0 o   67.685   0.4134   54.960   90.500   0.00   0.33   0.00   0.00 
1 1 1    5   15    1 o  110.986   0.4504  120.916 -38.0000   0.18  -1.09   1.48  -1.61 
1 1 1    5   15    2 o   26.119   0.7488   39.059 -18.1000   3.24  16.75  12.78  -4.65 
1 1 1    5   15    3 o   30.595   1.2120   37.853   74.200 -19.95  14.37  -3.58   9.85 
1 1 1    5   15    4 o   60.361   1.7150   58.578 -145.5000   0.24 -44.45  18.97   0.99 
1 1 1    5   15    5 o   58.199   0.9387   65.807  174.900   1.98  21.96  15.45  -4.00 
1 1 1    5   15    6 f   27.824   0.2682   23.049  166.200  -0.62  -0.67   0.11  -0.52 
1 1 1    5   15    7 o   9.0668   1.1320   15.114   35.500  -0.99  11.29   3.61   0.68 
1 1 1    5   15    8 o   61.010   3.2792   55.402   78.000 -19.10  66.35  13.49   8.96 
1 1 1    5   15    9 o   43.752   0.8591   43.834  117.900  -8.82  -0.07  -7.73  -1.21 
1 1 1    5   15   10 o   19.615   0.1756   15.203 -88.7000  -0.25  -0.08  -0.11  -0.05 
1 1 1    5   15   11 o   27.460   1.2723   27.285   60.500  12.26   6.19  -3.00  -3.72 
1 1 1    5   15   12 o   30.736   0.8537   28.375 -178.7000  -6.62   9.64   1.34   3.18 
1 1 1    5   15   13 o   28.514   1.6764   26.511 -93.6000 -18.04 -42.41   8.38  -8.95 
1 1 1    5   15   14 o   39.089   1.3050   48.954   47.300  12.06  -3.37  -2.25   1.52 
1 1 1    5   15   15 o   58.284   0.3014   58.875 -29.6000   0.79  -0.62   0.01   0.22 
1 1 1    5   15   16 o   30.964   1.4823   46.236   7.6000   6.94   3.89  -0.65  -1.23 
1 1 1    5   15   17 o   28.009   0.8041   29.393   95.300  10.11   7.68  -3.42  -8.95 
1 1 1    5   15   18 o   31.471   0.6123   30.810 -123.2000   2.65  -4.46   1.70   4.54 
1 1 1    5   15   19 o   8.7012   2.8611   10.486  130.400 -18.66  16.93  -0.30   3.55 
1 1 1    5   15   20 o   33.756   0.2151   38.768   24.500   0.49   0.04   4.09  -1.10 
1 1 1    5   15   21 o   51.257   0.5152   52.587 -23.1000   8.87  10.32   4.08 -10.75 
1 1 1    5   15   22 o   34.057   0.4529   35.177 -37.7000   1.65  -2.73   0.72   0.85 
1 1 1    5   15   23 o   13.062   0.6781   18.223 -137.7000  -4.73  -5.33   0.45  -2.45 
1 1 1    5   15   24 o   17.874   0.3494   9.4804   72.300  -0.76   0.51  -0.04   0.36 
1 1 1    5   15   25 o   2.2178   0.8777   9.8966  -9.7000   0.19   0.03  -0.24  -0.65 
1 1 1    5   15   26 o   18.886   0.2205   8.4471 -139.6000   0.78  -1.74   0.54   2.77 
1 1 1    5   15   27 o   13.957   0.2576   11.806  132.000   4.25  -0.37  -5.20  -0.61 
1 1 1    5   15   28 o   9.8303   0.3499   10.433  134.900  -1.32   1.74   0.40   0.79 
1 1 1    5   15   29 o   20.167   0.3345   17.222  115.800  -0.35   2.03   0.78  -0.14 
1 1 1    5   15   30 o   9.9530   0.4442   8.8803 -111.5000   0.94  -0.71  -0.01   0.22 
1 1 1    5   15   31 o   8.7863   0.4036   10.410 -140.4000  -0.01  -0.11  -0.00  -0.05 
1 1 1    5   15   32 f   8.3196   0.7133   4.5483 -73.6000   3.49  -2.42  -0.50   0.86 
1 1 1    5   15   33 o   14.442   0.2938   9.5052  -2.7000  -0.14  -2.54   2.22   1.04 
1 1 1    5   15   34 o   15.821   0.4344   13.603   22.600   0.63   1.70   0.37  -0.12 
1 1 1    5   15   35 o   16.639   0.5633   12.045 -89.4000   0.89  -4.74   2.06  -0.05 
1 1 1    5   15   36 o   23.828   0.5485   26.188  156.200  -5.28  -0.30  -1.02  -0.72 
1 1 1    5   16    0 o   3.7683   0.7322   7.8239 -87.0000   0.00   0.02   0.00   0.00 
1 1 1    5   16    1 o   21.325   1.7340   12.192 -130.0000  -5.70 -27.83   6.82  -2.81 
1 1 1    5   16    2 o   50.923   0.3396   46.691 -150.9000  -1.33  -0.91  -1.31  -1.61 
1 1 1    5   16    3 o   45.574   0.2922   45.290 -87.4000   4.76  -2.24  -6.48   5.49 
1 1 1    5   16    4 o   70.134   0.8799   63.257 -37.9000   5.60  -1.93  -1.31   1.31 
1 1 1    5   16    5 f   26.813   0.8823   19.249  156.900  -6.22  -2.23  -1.80  -1.69 
1 1 1    5   16    6 f   47.745   0.2286   33.067   57.300   1.46   0.40  -0.95  -0.20 
1 1 1    5   16    7 o  106.220   1.4686  100.664 -104.2000  -4.12  -5.50   1.36  -2.07 
1 1 1    5   16    8 o   45.491   2.0192   33.806  122.200  -3.35  20.04   4.65   1.88 
1 1 1    5   16    9 o   74.980   1.0203   69.830   70.400  -1.56   9.77   1.58   0.39 
1 1 1    5   16   10 o   13.708   0.6928   10.579  133.900  -0.61  -3.97   0.66  -0.22 
1 1 1    5   16   11 o   44.791   0.2256   35.065  -1.9000  -0.77   5.43  16.57   9.69 
1 1 1    5   16   12 o   25.184   0.2340   24.675 -114.0000  -0.38  -0.68   0.14  -0.37 
1 1 1    5   16   13 o   70.665   0.4416   54.979 -141.3000   2.06   0.09  -0.53   0.10 
1 1 1    5   16   14 o   44.318   0.2948   33.179 -83.4000  -2.00  -1.17  -1.18  -1.02 
1 1 1    5   16   15 o   17.434   1.1937   14.653 -23.0000   8.42   0.43  -2.38  -0.35 
1 1 1    5   16   16 o   24.174   0.2117   22.993 -80.7000   0.06  -0.15   0.50  -0.39 
1 1 1    5   16   17 o   12.137   0.2734   23.456 -48.1000  -4.68  -4.39  -1.21  -9.28 
1 1 1    5   16   18 f   23.434   0.4701   34.174 -145.3000  -0.86  -1.85   1.98  -1.41 
1 1 1    5   16   19 o   10.638   3.0007   9.9024 -77.9000  34.93 -32.99  -0.44   9.53 
1 1 1    5   16   20 o   16.298   1.2750   7.6742 -58.5000  40.47   5.10 -17.20  -4.91 
1 1 1    5   16   21 o   27.136   1.5871   32.457 -77.2000  22.67 -19.03  -1.89   8.14 
1 1 1    5   16   22 o   23.932   0.7702   27.035  152.900 -10.38  -3.24  -4.47  -3.88 
1 1 1    5   16   23 o   11.514   0.8087   9.4416 -53.0000   2.22 -11.93   4.61   1.49 
1 1 1    5   16   24 f   26.114   0.4178   13.555   43.100   4.26  -1.28  -1.56   0.59 
1 1 1    5   16   25 o   16.996   1.0518   20.530 -115.5000  -0.68 -14.60   4.14  -0.73 
1 1 1    5   16   26 f   29.450   0.6664   36.609 -79.7000  11.67  -7.75  -3.36   5.01 
1 1 1    5   16   27 f   21.150   0.7315   20.419  171.100 -10.66   8.22  -0.65   5.07 
1 1 1    5   16   28 o   7.1079   0.4646   7.5594  116.000  -0.16   0.56   0.58  -0.19 
1 1 1    5   16   29 o   3.6246   0.7494   8.4894  110.700  -0.00   0.09  -0.01  -0.07 
1 1 1    5   16   30 o   11.734   0.5533   7.9266   35.500   4.92  -0.82  -1.89   1.11 
1 1 1    5   16   31 f   13.356   0.2897   14.895   5.5000  -0.30  -0.07   0.42   0.00 
1 1 1    5   16   32 o   14.250   0.2799   10.795 -140.4000  -1.73   0.54  -0.55   1.48 
1 1 1    5   16   33 o   8.0270   0.4547   7.7409   2.8000   0.26   0.29  -0.40  -0.08 
1 1 1    5   16   34 o   16.220   0.4229   18.282   55.600   1.55  -0.52  -0.12   0.19 
1 1 1    5   16   35 o   0.0000   2.4546  ?   ?   -0.03   0.09   0.03  -0.16 
1 1 1    5   17    0 o   33.786   0.2658   13.351 -88.0000   0.00   0.08   0.00   0.00 
1 1 1    5   17    1 o   60.504   0.8302   64.983 -96.1000   5.12  -6.14   0.06   3.99 
1 1 1    5   17    2 o   26.064   1.5737   27.336 -16.7000  -2.11 -36.85  17.60  -2.57 
1 1 1    5   17    3 o   48.208   0.3627   51.058   57.900   4.02  -1.61  -1.35   1.84 
1 1 1    5   17    4 o   23.648   0.5518   22.936 -118.0000  -0.95  -2.80   1.31  -0.81 
1 1 1    5   17    5 o  112.260   0.4626   92.727 -168.3000  -1.17  -0.89   2.77   0.23 
1 1 1    5   17    6 o   68.364   0.6003   71.698   52.100   7.74  -1.69  -1.82   1.07 
1 1 1    5   17    7 o   98.548   0.8096   84.622 -58.1000   1.34 -13.17   6.62   0.14 
1 1 1    5   17    8 o   32.540   0.2098   16.340  144.500  -0.80  -3.70   6.75  -4.59 
1 1 1    5   17    9 o   47.105   0.5613   37.955   59.400   3.39   3.30  -0.06  -0.68 
1 1 1    5   17   10 o   65.700   1.0197   57.996 -42.9000   1.93  -2.85   0.19   1.32 
1 1 1    5   17   11 o   18.314   0.3297   26.639   91.800   1.24   0.95  -0.87  -1.82 
1 1 1    5   17   12 o   32.076   0.3446   15.391  116.200  -0.06  -0.15   0.02  -0.04 
1 1 1    5   17   13 f   39.257   0.3831   41.935 -102.1000  -0.14  -1.21   0.38  -0.23 
1 1 1    5   17   14 o   44.239   0.6445   32.267   0.5000   1.94   5.62   2.53  -1.33 
1 1 1    5   17   15 f   39.723   0.3962   45.557   38.500   2.29   1.72  -0.13  -1.15 
1 1 1    5   17   16 o   23.466   0.2469   29.837 -44.0000  -3.31  -4.07   0.52  -5.54 
1 1 1    5   17   17 o   6.3133   1.7479   9.8339   81.500  14.29  -1.89  -3.38   0.97 
1 1 1    5   17   18 o   24.703   0.5155   22.687  106.200   3.51  10.34   2.27  -1.97 
1 1 1    5   17   19 o   9.8578   1.1528   14.387   26.200  14.60   2.98  -3.29  -1.50 
1 1 1    5   17   20 o   21.559   0.8145   28.065 -136.1000  -2.63  -1.70  -0.12  -0.33 
1 1 1    5   17   21 o   25.691   0.6545   29.377 -30.7000   1.76 -17.74   5.45   0.64 
1 1 1    5   17   22 o   16.412   0.7982   16.340  157.600  -9.59  15.91   4.06   6.66 
1 1 1    5   17   23 o   4.5399   1.3528   2.2272   94.200   2.34   3.15   0.24  -1.00 
1 1 1    5   17   24 o   19.078   0.5404   14.362   95.200   0.36   7.73   2.30   0.08 
1 1 1    5   17   25 o   3.6038   0.7349   6.9465 -105.6000  -0.01  -0.22   0.02   0.00 
1 1 1    5   17   26 f   8.7895   0.3872   2.8672 -11.4000  -0.03   0.26   0.21  -0.41 
1 1 1    5   17   27 o   14.416   0.4641   6.8623 -145.7000  -4.29   0.07  -1.81   0.41 
1 1 1    5   17   28 o   22.180   0.5691   20.232   47.700   2.54   1.51  -0.87  -0.58 
1 1 1    5   17   29 o   22.873   0.5204   16.593 -77.0000  -1.30  -3.31   0.33  -0.19 
1 1 1    5   17   30 o   19.718   0.7334   16.110  170.700  -6.08   7.49   0.09   2.04 
1 1 1    5   17   31 o   2.7576   0.9311   0.9993  155.600   0.11  -0.08   0.04   0.05 
1 1 1    5   17   32 o   20.942   0.3481   21.597 -162.8000  -1.58  -6.48   5.12  -0.30 
1 1 1    5   17   33 o   13.298   0.3354   11.543 -10.7000   0.52  -1.25   0.01   0.70 
1 1 1    5   17   34 o   17.912   0.7143   17.172   15.200   4.53  -1.54  -0.40   0.63 
1 1 1    5   18    0 f   51.691   0.3526   55.439   89.900   0.00   0.55   0.00   0.00 
1 1 1    5   18    1 o   42.418   0.5357   34.782 -48.7000  -4.61  -9.25   1.40  -2.05 
1 1 1    5   18    2 o   60.633   1.3291   56.411 -153.4000 -31.73   8.42  -6.13   3.83 
1 1 1    5   18    3 o   26.741   0.4752   15.502   33.000   6.24  -2.58  -1.37   1.48 
1 1 1    5   18    4 o   38.964   0.3233   25.780  -4.6000   3.74   1.25  -2.91  -1.64 
1 1 1    5   18    5 o   35.627   0.7565   19.666  105.200 -14.60   8.18  -4.17   6.20 
1 1 1    5   18    6 o   38.472   0.3068   31.325  111.000  -2.93   0.42  -1.76   0.90 
1 1 1    5   18    7 o   58.752   0.2898   73.488 -141.6000  -0.80  -1.24   0.05  -0.28 
1 1 1    5   18    8 o   8.0080   0.5951   4.1806   2.3000   2.51  -0.53  -1.23   0.46 
1 1 1    5   18    9 o   34.725   0.6829   36.075  119.500  -4.26   3.26  -0.30   1.82 
1 1 1    5   18   10 o   56.024   0.3067   62.779  113.000   3.91   6.18   0.88  -7.14 
1 1 1    5   18   11 o   27.128   0.2662   18.863  117.300   0.39  -0.38   0.01   0.07 
1 1 1    5   18   12 o   12.833   0.3304   3.0139  173.700  -0.16  -0.05  -0.12  -0.02 
1 1 1    5   18   13 o   47.691   0.8955   49.055 -174.9000 -15.35  -7.91  -5.37  -9.59 
1 1 1    5   18   14 o   0.0000   2.2608  ?   ?    0.11  -0.02  -0.00   0.00 
1 1 1    5   18   15 o   11.491   0.2895   16.182   26.400   0.83  -0.59  -0.66   1.07 
1 1 1    5   18   16 o   37.606   1.1748   23.333 -107.4000  -3.07  -8.48   1.83  -1.26 
1 1 1    5   18   17 o   25.980   0.9768   34.628   92.200  15.91  23.78   2.52  -6.86 
1 1 1    5   18   18 o   0.0000   2.0913  ?   ?    0.02  -0.13   0.02   0.01 
1 1 1    5   18   19 o   12.271   0.5280   9.5509  114.300  -4.36   3.46  -0.81   2.50 
1 1 1    5   18   20 o   25.598   1.8359   29.271 -33.0000  53.01  10.40 -15.40  -7.16 
1 1 1    5   18   21 o   10.078   2.6186   10.847 -133.3000 -31.37  23.76  -2.20   8.42 
1 1 1    5   18   22 o   11.356   0.3639   15.357  147.400  -5.71  -0.39  -7.72  -2.82 
1 1 1    5   18   23 f   7.7471   0.4032   4.4113  -1.9000   0.34  -0.10  -0.06   0.07 
1 1 1    5   18   24 o   19.891   0.5933   20.553   61.600   5.51   0.01  -1.78   0.34 
1 1 1    5   18   25 o   12.608   0.2852   14.372   7.9000  -1.02   1.41  -0.05   1.15 
1 1 1    5   18   26 o   32.893   0.2212   30.282 -69.6000   1.31  -1.01  -3.50  -2.09 
1 1 1    5   18   27 o   8.4161   0.4019   8.9629 -113.5000  -0.15  -0.18   0.10  -0.03 
1 1 1    5   18   28 o   18.841   0.5445   22.607   9.3000   3.15   0.21  -1.26   0.31 
1 1 1    5   18   29 f   13.286   0.4429   10.944   83.600   2.80   4.38   1.26  -1.59 
1 1 1    5   18   30 o   15.535   0.7652   16.238 -60.7000   5.00  -5.17   0.45   1.78 
1 1 1    5   18   31 o   2.7042   0.9646   6.9081  -0.2000   0.00   0.16   0.04   0.06 
1 1 1    5   18   32 o   14.584   1.1107   11.289   25.300  14.83  -0.87  -3.34  -0.11 
1 1 1    5   18   33 o   10.987   0.3916   8.7657 -77.1000   2.05   0.94  -0.17  -1.10 
1 1 1    5   19    0 o   56.234   0.3885   42.950   90.400  -0.00  -0.24   0.00   0.00 
1 1 1    5   19    1 o   36.121   0.9911   34.509 -101.9000   6.92  -3.96  -2.50   3.41 
1 1 1    5   19    2 o   22.737   0.5738   21.028 -103.2000  -3.67  -1.78  -0.72  -0.80 
1 1 1    5   19    3 o   52.447   0.9138   51.590   75.300   0.94   5.24   1.77  -0.37 
1 1 1    5   19    4 o   23.162   0.3358   11.764 -130.7000  -1.29   0.78  -0.35   4.83 
1 1 1    5   19    5 f   26.426   1.0361   15.477 -126.2000  -3.35   1.92  -0.26   0.52 
1 1 1    5   19    6 o   26.376   1.4883   2.1579   38.100   0.20   8.27   1.36  -0.15 
1 1 1    5   19    7 o   20.132   0.3402   34.686 -127.1000  -0.15  -0.11   0.33   1.12 
1 1 1    5   19    8 o   2.6332   1.3815   8.1778 -87.0000  -0.99  -1.01  -0.03  -0.56 
1 1 1    5   19    9 o   22.708   0.4744   10.195 -102.3000  -5.06  -1.59  -3.72  -1.91 
1 1 1    5   19   10 o   14.329   0.2818   30.335 -26.4000  -0.46  -1.54   4.21  -1.48 
1 1 1    5   19   11 o   14.156   0.2710   16.755 -161.4000  -0.17   0.02  -0.02   0.01 
1 1 1    5   19   12 o   21.269   1.4801   27.817  149.600 -34.81   0.72 -10.74   0.20 
1 1 1    5   19   13 f   36.454   0.2311   29.450 -167.3000  -0.21  -0.92   2.65   2.72 
1 1 1    5   19   14 o   8.3027   0.8091   8.5344 -96.8000   0.19  -5.06   1.31   0.15 
1 1 1    5   19   15 o   17.773   0.6532   9.6757   66.400 -18.41 -12.03  -4.69  -9.49 
1 1 1    5   19   16 o   18.406   0.2196   13.012 -15.9000   1.79   3.27   1.39  -3.24 
1 1 1    5   19   17 f   16.518   0.5463   8.9072 -29.7000   6.65  -0.22  -1.82   0.26 
1 1 1    5   19   18 f   39.955   0.2444   41.584   69.000   1.87  -0.00  -1.90   4.15 
1 1 1    5   19   19 o   18.018   0.3311   12.716   35.300   1.53  -0.43  -1.11   0.25 
1 1 1    5   19   20 o   29.321   0.2273   24.486 -115.2000  -1.56   0.81  -1.34   0.40 
1 1 1    5   19   21 o   4.7130   0.6129   8.3195 -91.4000   0.13   0.13  -0.21  -0.15 
1 1 1    5   19   22 o   14.777   0.2881   11.509   12.700  -0.27  -1.11   0.18  -0.05 
1 1 1    5   19   23 o   22.220   0.2279   23.608   39.500   0.09   0.91   0.65   0.83 
1 1 1    5   19   24 o   6.5400   0.9958   10.790 -53.1000   5.72  -7.04   1.02   3.31 
1 1 1    5   19   25 o   13.612   0.8298   4.2376  158.100  -6.18   0.83  -1.08   0.11 
1 1 1    5   19   26 o   6.6805   0.4910   5.4502  148.400  -0.07  -0.90   0.42   0.16 
1 1 1    5   19   27 o   8.3223   0.4505   10.501   49.500   0.38  -0.39   0.03   0.07 
1 1 1    5   19   28 o   12.070   0.5311   11.426 -12.9000   0.44  -1.99   0.22   0.17 
1 1 1    5   19   29 o   24.986   0.9723   27.133 -43.4000   7.52  -7.64   0.64   2.41 
1 1 1    5   19   30 o   4.9876   0.7178   2.9869  160.600   0.63   0.55   0.83  -0.72 
1 1 1    5   19   31 o   12.381   0.3518   8.1757  -2.7000   0.41   0.11  -0.10   0.05 
1 1 1    5   19   32 o   19.227   0.5692   18.234 -142.1000  -4.66  -0.27  -1.17   0.34 
1 1 1    5   19   33 o   3.7104   1.6808   3.3472   8.9000  -0.25  -0.44   0.01  -0.02 
1 1 1    5   20    0 o   18.657   0.4933   14.355   90.200   0.00   0.01   0.00   0.00 
1 1 1    5   20    1 o   25.778   0.8971   28.717 -126.2000  -5.66  -3.46  -0.85  -1.39 
1 1 1    5   20    2 o   10.187   1.9929   19.760 -62.2000  16.91  -2.48  -5.24   1.41 
1 1 1    5   20    3 o   15.619   0.3666   16.865   59.900  -0.07  -0.21   0.02  -0.03 
1 1 1    5   20    4 o   0.0000   2.8337  ?   ?   -0.01   0.01   0.05  -0.09 
1 1 1    5   20    5 o   6.1271   0.6831   9.6594 -132.1000   0.01  -0.03  -0.15   0.04 
1 1 1    5   20    6 o   12.764   0.5203   5.2206   64.100   4.50  -0.55  -1.73   0.53 
1 1 1    5   20    7 f   0.0000   2.3405  ?   ?   -0.01   0.11   0.18   0.06 
1 1 1    5   20    8 o   15.525   0.4687   14.287  158.200  -1.02   3.04   0.89   0.58 
1 1 1    5   20    9 o   16.038   0.4620   15.829  114.100  -0.62  -1.00   0.07  -0.13 
1 1 1    5   20   10 f   24.914   1.5223   5.2490 -80.0000  -6.41 -24.51   5.34  -2.74 
1 1 1    5   20   11 o   55.855   0.2778   47.470   3.8000   0.29  -0.27   0.45  -0.20 
1 1 1    5   20   12 o   6.8535   0.7352   1.9642  161.200   3.42   2.21  -0.53  -1.33 
1 1 1    5   20   13 o   4.1676   0.6633   14.623  135.000  -0.08   0.02  -0.15  -0.11 
1 1 1    5   20   14 o   32.561   0.2685   33.210 -85.4000   0.17  -0.08  -0.15  -0.07 
1 1 1    5   20   15 o   38.868   0.4851   42.867 -37.9000   4.73   0.42  -3.18  -2.00 
1 1 1    5   20   16 o   15.964   1.1173   10.319 -86.0000 -19.05 -14.06  -2.33  -9.15 
1 1 1    5   20   17 o   7.4383   0.4241   10.157   55.600  -0.93  -0.94   0.38  -1.35 
1 1 1    5   20   18 f   13.471   0.2727   16.826   57.600  -0.32   0.77  -3.34   5.52 
1 1 1    5   20   19 o   10.216   0.3279   10.012   13.800   0.36  -0.28   0.03   0.19 
1 1 1    5   20   20 o   20.362   0.2817   16.233  -0.3000  -0.97  -2.58   0.60  -0.97 
1 1 1    5   20   21 o   14.947   0.7310   9.9987 -155.7000  -2.89  -5.62   0.74  -0.85 
1 1 1    5   20   22 o   5.2569   0.5346   10.140 -161.3000  -1.73  -0.37  -1.19  -1.00 
1 1 1    5   20   23 o   8.7077   0.4050   8.2192 -49.8000  -0.75  -0.09  -0.15  -0.09 
1 1 1    5   20   24 o   13.421   0.2968   11.284 -16.6000   1.90   1.14   0.31  -1.84 
1 1 1    5   20   25 o   14.028   0.2835   17.689   71.900   0.24   0.23  -0.02  -0.03 
1 1 1    5   20   26 o   25.258   0.7422   21.012 -67.0000  -9.40  -9.22  -1.80  -5.75 
1 1 1    5   20   27 o   3.0009   0.9716   2.4478  153.100  -0.14  -0.88   0.26   0.00 
1 1 1    5   20   28 f   12.258   0.9381   6.2486 -21.2000   4.92   4.00  -0.45  -1.08 
1 1 1    5   20   29 o   14.608   0.3342   12.583   87.400   0.06  -0.60  -1.02   0.16 
1 1 1    5   20   30 o   17.119   0.4539   15.190 -32.9000   3.50  -0.49  -1.09   1.22 
1 1 1    5   20   31 o   3.0967   1.0349   4.1749  -6.8000   0.14   0.32  -0.15  -0.19 
1 1 1    5   20   32 o   14.735   0.7295   17.958   17.600   6.11   1.27  -1.17  -1.26 
1 1 1    5   21    0 o   19.660   0.3129   21.628   90.400   0.00   0.04   0.00   0.00 
1 1 1    5   21    1 o   27.945   0.2106   12.985  140.000   0.22   1.39   0.14  -0.06 
1 1 1    5   21    2 o   12.304   0.5177   8.0422 -151.4000  -2.86   1.64  -0.95   1.39 
1 1 1    5   21    3 f   23.261   0.6779   31.841   19.100   6.43 -12.21   2.99   3.96 
1 1 1    5   21    4 o   17.820   0.2327   11.272   60.200   0.11  -0.25   0.04   0.57 
1 1 1    5   21    5 o   32.095   0.2283   36.823 -42.0000  -0.31  -1.18   0.29  -0.25 
1 1 1    5   21    6 o   27.685   0.7048   37.033  111.600  15.29  14.40  -2.33 -15.73 
1 1 1    5   21    7 o   25.927   0.8004   20.345  147.700   6.04  16.89   7.17  -6.86 
1 1 1    5   21    8 o   47.679   1.1816   41.662   22.300   7.98  18.49   5.78  -4.88 
1 1 1    5   21    9 o   4.6125   0.9953   7.7065 -87.1000  -0.00  -3.41   1.02  -0.04 
1 1 1    5   21   10 o   5.6908   0.6224   11.187 -163.0000  -1.37   5.38   2.42   1.14 
1 1 1    5   21   11 o   22.042   0.8846   17.144 -48.1000   8.32 -26.21   5.43   3.53 
1 1 1    5   21   12 o   20.342   0.5341   9.0167  107.000  -3.29   3.49  -0.19   2.63 
1 1 1    5   21   13 o   10.943   0.7998   9.2141  114.100  -1.30  17.22   7.74   0.80 
1 1 1    5   21   14 o   29.440   1.2771   31.558 -26.3000  17.15  -6.31  -5.34   3.69 
1 1 1    5   21   15 o   26.881   0.2192   23.365 -19.3000   0.40  -2.42   2.86  -0.58 
1 1 1    5   21   16 o   8.4964   0.3636   6.8617   39.100   0.08  -0.93   0.20   0.07 
1 1 1    5   21   17 o   17.958   0.2222   20.785   12.400   0.13   0.72   0.33  -0.63 
1 1 1    5   21   18 o   3.0342   1.4160   5.5878   39.200  -0.60   1.92   0.38   0.31 
1 1 1    5   21   19 o   23.781   0.6427   16.690  158.800  -8.25   3.80  -1.57   2.69 
1 1 1    5   21   20 o   32.809   0.7870   28.636 -81.0000   8.01 -12.17   0.81   3.89 
1 1 1    5   21   21 o   21.022   0.2836   15.102 -59.4000  -0.24  -2.73   1.25   0.29 
1 1 1    5   21   22 f   8.9130   0.6207   17.196 -88.3000  -3.96  -2.48  -0.74  -1.10 
1 1 1    5   21   23 f   7.4157   0.5560   6.5620 -44.6000   2.08   2.94   1.13  -1.49 
1 1 1    5   21   24 o   1.5993   1.0672   3.9308   2.0000   0.12   0.08   0.07   0.36 
1 1 1    5   21   25 o   4.7676   0.6710   3.5552   39.500  -0.40   0.68   0.14   0.12 
1 1 1    5   21   26 o   4.0050   0.7882   0.9841 -39.2000   0.07  -0.31  -0.51   0.37 
1 1 1    5   21   27 o   17.469   0.4458   14.190  134.100  -3.83   2.93   0.49   2.42 
1 1 1    5   21   28 o   4.9983   0.7036   5.5910   46.200   0.23   0.67   0.07  -0.15 
1 1 1    5   21   29 o   13.864   0.4985   15.238 -29.4000   1.44  -1.12   0.18   0.51 
1 1 1    5   21   30 o   5.3650   0.7683   3.7847 -99.5000   0.44  -0.11   0.10   0.25 
1 1 1    5   21   31 o   8.6625   0.5706   9.6168 -35.4000   0.25  -1.23   0.11   0.16 
1 1 1    5   22    0 o   36.263   0.3374   41.233   90.100   0.00   0.76   0.00   0.00 
1 1 1    5   22    1 o   16.513   0.6320   4.0470 -149.9000   1.20  -4.89   2.24   1.46 
1 1 1    5   22    2 o   17.668   0.4092   14.338   82.300  -0.53   3.04   3.47   2.14 
1 1 1    5   22    3 o   11.686   0.7918   14.706   78.500   0.19   3.35   0.63  -0.04 
1 1 1    5   22    4 o   17.921   0.5464   15.771   99.700   7.06  -2.14  -4.36   2.34 
1 1 1    5   22    5 o   15.123   0.3661   7.5546   70.700  -0.40   1.61   0.35   0.14 
1 1 1    5   22    6 o   17.530   0.7237   9.0661  -9.6000   7.69 -20.83   9.58   7.31 
1 1 1    5   22    7 o   19.779   0.2256   14.035   85.100  -0.13   0.22   0.12   0.06 
1 1 1    5   22    8 f   10.410   0.6123   11.190   5.2000   1.42   7.07   2.94  -1.00 
1 1 1    5   22    9 o   34.781   0.3409   17.119   96.400  -5.72   2.53  -0.83   1.20 
1 1 1    5   22   10 o   26.291   0.3516   21.835 -36.0000   1.20   0.28  -0.31  -3.25 
1 1 1    5   22   11 o   37.788   0.2354   49.207   25.700   0.95  -1.45   1.09   0.61 
1 1 1    5   22   12 f   21.165   1.4400   12.569   83.800 -23.64  24.66  -0.15   9.87 
1 1 1    5   22   13 o   18.891   0.2237   16.317  117.600  -1.82   0.35  -1.03   0.92 
1 1 1    5   22   14 o   22.885   0.4269   17.175 -124.3000   0.66  -5.01   1.98   0.15 
1 1 1    5   22   15 o   23.964   0.4122   29.772 -39.0000   1.66  -0.34  -0.46   0.02 
1 1 1    5   22   16 o   17.434   0.5628   15.154 -64.9000   3.76  -5.99   0.66   2.02 
1 1 1    5   22   17 o   10.856   0.5847   6.7054  139.100  -0.38   4.24   1.07   0.35 
1 1 1    5   22   18 o   16.755   1.3930   15.439 -97.1000 -23.24 -15.92  -3.14  -6.50 
1 1 1    5   22   19 o   30.151   0.2219   31.862  -8.8000   0.21  -1.15   0.39  -1.51 
1 1 1    5   22   20 o   4.4665   0.6957   6.6699 -47.8000   0.09  -0.12  -0.26  -0.07 
1 1 1    5   22   21 f   6.8275   0.5348   10.224  136.900  -0.46  -0.18  -0.02  -0.13 
1 1 1    5   22   22 o   20.225   0.3228   20.007  160.900  -4.31  -2.99   3.91  -6.89 
1 1 1    5   22   23 f   25.917   0.7596   26.863   18.300   3.75  -1.32  -0.85   0.23 
1 1 1    5   22   24 o   5.3304   0.6031   2.5210   24.100  -0.24  -0.11  -0.05  -0.01 
1 1 1    5   22   25 o   20.650   0.2366   14.028   47.000   1.01   0.44  -0.17   1.59 
1 1 1    5   22   26 o   6.3211   0.5842   9.8731 -21.2000   0.23   0.30  -0.04  -0.08 
1 1 1    5   22   27 o   8.1711   0.5008   10.055  174.000  -0.29   0.19   0.03   0.07 
1 1 1    5   22   28 o   15.086   1.8038   12.671 -126.5000  -4.40 -23.75   3.60  -0.91 
1 1 1    5   22   29 o   9.0938   0.5109   1.2022   91.400  -0.08  -0.14  -0.01   0.05 
1 1 1    5   22   30 o   0.0000   2.7038  ?   ?   -0.13   0.05  -0.00   0.02 
1 1 1    5   23    0 o   14.758   0.3958   20.316   89.100   0.00   0.30   0.00   0.00 
1 1 1    5   23    1 o   15.870   0.6200   17.282  135.100  -5.83  -1.63  -2.55  -1.94 
1 1 1    5   23    2 o   7.3073   0.8511   13.648   55.800  -2.36   7.52   2.64   2.06 
1 1 1    5   23    3 o   22.891   0.4198   31.522   1.9000   6.62  -7.96   0.76   2.84 
1 1 1    5   23    4 o   10.757   0.7148   12.673 -35.2000  -6.30  -5.59  -0.48  -2.57 
1 1 1    5   23    5 o   30.668   0.2351   21.352 -78.3000  -5.65  -2.90  -4.17  -3.18 
1 1 1    5   23    6 o   28.298   0.8827   33.791  118.100 -19.91  -1.66  -9.19  -2.66 
1 1 1    5   23    7 o   24.147   0.2779   17.680 -98.4000  -1.16  -1.47   0.45  -0.74 
1 1 1    5   23    8 o   28.481   0.3083   28.352   5.5000   3.14   4.84   4.02  -4.35 
1 1 1    5   23    9 o   9.1557   0.3819   4.3123 -15.2000  -2.18   0.29  -1.65   0.07 
1 1 1    5   23   10 o   5.1776   0.5918   7.1241   28.500  -0.07  -0.05   0.06   0.30 
1 1 1    5   23   11 o   3.6123   1.1892   4.3207  108.600  -0.18  -2.45   0.62  -0.14 
1 1 1    5   23   12 o   13.919   0.4227   3.7048 -149.6000   3.25  -4.45   1.13   2.18 
1 1 1    5   23   13 o   6.7564   0.5149   4.9591  113.100   0.81  -3.53   2.37   1.89 
1 1 1    5   23   14 f   15.162   0.4366   16.628   22.100   4.80   0.44  -1.52  -0.58 
1 1 1    5   23   15 o   8.8259   1.0487   13.618 -20.2000   6.76  -6.90   0.26   2.45 
1 1 1    5   23   16 o   25.270   0.3933   16.121  -9.7000   4.97   5.33   0.91  -2.52 
1 1 1    5   23   17 o   18.775   0.6826   15.569   5.5000   4.29  -0.08  -1.02   0.28 
1 1 1    5   23   18 o   9.8625   0.3823   14.162  100.000   0.25  -0.05   0.39  -0.36 
1 1 1    5   23   19 o   20.596   0.2520   15.640  153.300   0.39  -0.79  -0.81   0.82 
1 1 1    5   23   20 o   2.3604   1.1569   9.8462 -134.4000  -1.02   1.10   0.38   0.70 
1 1 1    5   23   21 o   0.0000   2.3609  ?   ?    0.01   0.21   0.08  -0.10 
1 1 1    5   23   22 o   9.8057   0.5625   4.4720 -89.5000   1.92  -1.12  -0.37   0.35 
1 1 1    5   23   23 o   15.537   0.8557   11.516  164.500  -7.93   2.96  -1.25   0.75 
1 1 1    5   23   24 o   6.3018   1.2874   10.106 -171.9000  -5.44   0.31  -0.95  -0.04 
1 1 1    5   23   25 o   8.8138   0.5673   4.3097 -175.9000  -0.77  -0.90   0.10  -0.15 
1 1 1    5   23   26 o   17.994   0.5400   14.838   32.100   6.49  -3.03  -2.53   1.23 
1 1 1    5   23   27 f   13.086   0.5917   10.485 -172.5000  -3.27   0.04  -0.76   0.40 
1 1 1    5   23   28 o   16.916   0.4380   12.525  137.500   1.17   2.88   0.09  -0.88 
1 1 1    5   24    0 o   3.6332   1.0837   20.247 -91.3000   0.00   0.03   0.00   0.00 
1 1 1    5   24    1 o   17.362   0.4477   11.399  145.000  -0.15   4.23   0.77  -0.02 
1 1 1    5   24    2 o   16.287   1.0225   20.038   54.300  -2.27  17.51   6.07   2.12 
1 1 1    5   24    3 o   17.438   0.4914   17.597 -136.8000   1.43  -9.29   2.84   0.57 
1 1 1    5   24    4 o   23.769   0.6354   27.102 -117.0000   3.98  -9.65   6.69  11.73 
1 1 1    5   24    5 o   7.4395   0.4866   7.9365  113.300   0.09   0.14  -0.27  -0.16 
1 1 1    5   24    6 o   17.547   0.2495   22.927   70.900  -3.37   1.19  -9.93   1.49 
1 1 1    5   24    7 o   25.982   0.2494   15.509 -173.7000  -0.42  -1.15   2.50   2.27 
1 1 1    5   24    8 o   17.883   0.2470   11.842 -19.9000   3.14   1.63  -2.15  -1.53 
1 1 1    5   24    9 o   12.838   0.4093   6.7392   16.100   2.20  -0.94  -0.61   0.40 
1 1 1    5   24   10 o   11.612   0.9727   13.696 -55.9000  17.71  -6.26  -6.33   4.32 
1 1 1    5   24   11 o   11.396   0.3078   13.266   49.200   3.27  -2.04  -0.54   2.85 
1 1 1    5   24   12 f   15.315   0.5138   21.039   20.800   0.52   3.68   0.84  -0.44 
1 1 1    5   24   13 o   8.8982   0.3885   5.0749 -136.0000   1.81  -0.53  -0.47   0.18 
1 1 1    5   24   14 o   18.439   0.4697   20.659 -159.8000  -0.51  -1.86   0.46  -0.70 
1 1 1    5   24   15 o   11.724   1.6373   16.561   66.800   8.56  16.30   1.67  -2.86 
1 1 1    5   24   16 f   10.327   0.3770   14.444   81.900  -0.42   0.48   0.82   0.23 
1 1 1    5   24   17 o   11.466   0.3411   8.9472  102.500  -0.24   2.43   0.43   0.19 
1 1 1    5   24   18 o   7.6255   0.4878   6.6326 -134.3000  -0.11  -0.54   0.02  -0.32 
1 1 1    5   24   19 o   15.260   0.2677   18.694   19.100   0.11  -0.37   0.08  -0.28 
1 1 1    5   24   20 o   0.0000   2.4339  ?   ?    0.14  -0.08   0.02   0.08 
1 1 1    5   24   21 o   13.598   0.3259   9.2214 -157.3000  -0.41   1.43   0.59  -0.05 
1 1 1    5   24   22 o   9.6712   0.7212   4.4404   29.300   0.52   4.71   0.90  -0.46 
1 1 1    5   24   23 o   8.0405   0.5018   11.269   39.200   0.37  -0.36  -0.40  -0.02 
1 1 1    5   24   24 o   6.0686   1.0184   5.6374   27.200   4.09   3.05  -0.10  -1.43 
1 1 1    5   24   25 o   11.736   1.4190   8.5966  -6.4000  11.77  -8.51  -0.42   2.91 
1 1 1    5   24   26 o   3.1682   1.0552   3.0518 -137.9000   0.11  -0.39   0.06  -0.01 
1 1 1    5   24   27 o   4.8372   0.8098   3.6765 -141.7000  -0.23  -0.45  -0.08  -0.12 
1 1 1    5   25    0 o   12.685   0.4121   17.694 -90.1000   0.00   0.05   0.00   0.00 
1 1 1    5   25    1 f   20.839   0.2471   20.194  159.600   0.56   1.56  -0.38  -2.96 
1 1 1    5   25    2 o   17.178   1.5270   21.026 -58.1000  30.52  -9.00  -6.53   3.64 
1 1 1    5   25    3 f   6.8329   1.2216   4.8931 -39.7000  -3.63   1.23  -0.41   0.26 
1 1 1    5   25    4 f   33.892   0.2505   36.254 -100.9000  -4.60  -0.02  -4.62   9.84 
1 1 1    5   25    5 o   15.612   0.8626   11.967 -163.4000 -12.83   3.76  -2.31   1.80 
1 1 1    5   25    6 o   11.549   0.7078   10.110   8.9000   7.37  -0.43  -2.22   0.56 
1 1 1    5   25    7 o   11.716   0.3624   8.3383 -15.5000   0.14   0.01   0.12   0.08 
1 1 1    5   25    8 o   9.9023   0.3752   23.718 -108.9000  -2.01  -0.07  -1.60   0.59 
1 1 1    5   25    9 o   12.916   0.7855   14.511  157.600  -8.97  -6.15  -0.99  -4.30 
1 1 1    5   25   10 o   19.335   0.2561   21.121   3.7000   0.70  -2.83   2.05   0.01 
1 1 1    5   25   11 f   15.284   0.6746   18.769 -80.5000  -2.10  -8.36   2.74  -2.22 
1 1 1    5   25   12 f   8.8788   0.4196   5.7950   28.100   0.84   0.27  -0.95   0.17 
1 1 1    5   25   13 o   15.025   0.3133   12.752 -147.1000   0.47  -2.50   1.43   2.58 
1 1 1    5   25   14 o   19.666   1.5567   11.784   74.400   7.00  24.19   4.40  -3.50 
1 1 1    5   25   15 o   3.3683   0.8968   5.0396   60.000   0.78  -0.18  -0.10   0.10 
1 1 1    5   25   16 o   8.2024   0.4451   5.8385 -92.8000  -1.58   0.40  -0.22   0.04 
1 1 1    5   25   17 o   18.919   0.2603   15.053 -113.3000  -1.71   2.66  -0.22   1.47 
1 1 1    5   25   18 f   20.984   0.2326   19.946   78.100  -7.05   4.01  -4.53   3.00 
1 1 1    5   25   19 o   0.0000   2.4263  ?   ?    0.37   0.09  -0.06  -0.07 
1 1 1    5   25   20 o   1.8026   1.2557   4.2886 -82.6000   0.41   0.01  -0.08   0.04 
1 1 1    5   25   21 o   15.143   0.3063   10.359 -56.1000   0.32  -0.40   0.10  -0.40 
1 1 1    5   25   22 o   10.726   0.5369   12.301   31.400   0.33   1.28   0.17  -0.02 
1 1 1    5   25   23 f   7.8420   1.2592   6.3162  105.200   2.87  -0.37  -0.23   0.12 
1 1 1    5   25   24 o   15.317   0.3725   17.158 -144.5000  -3.20   4.63  -1.13   3.46 
1 1 1    5   25   25 o   4.0913   0.9431   6.0488  158.500  -0.02  -0.02  -0.00  -0.00 
1 1 1    5   25   26 f   18.619   0.3031   17.651   28.900   1.17  -2.34  -1.34   0.97 
1 1 1    5   26    0 o   4.4159   0.8968   3.6698   89.300  -0.00  -0.01   0.00   0.00 
1 1 1    5   26    1 o   7.6114   0.4580   9.0093 -173.7000  -0.31   0.46   0.29   0.17 
1 1 1    5   26    2 o   17.853   0.2675   22.844   35.300   0.85   0.72   0.86  -0.80 
1 1 1    5   26    3 o   10.832   0.3590   11.605 -134.6000   1.19  -0.07  -0.17   0.07 
1 1 1    5   26    4 o   26.064   1.0342   19.430 -120.2000  12.94 -21.62   4.08  13.39 
1 1 1    5   26    5 o   18.776   0.3981   16.116 -106.2000  -0.24  -4.51   0.72  -0.22 
1 1 1    5   26    6 o   14.478   0.3036   16.302   33.100   1.17  -0.70  -0.01   0.44 
1 1 1    5   26    7 o   0.4200   0.9968   3.0729  165.300  -0.10  -0.11   0.05  -0.04 
1 1 1    5   26    8 o   3.5147   0.8891   15.273 -125.7000  -0.28  -0.26   0.06  -0.11 
1 1 1    5   26    9 o   8.7277   0.9531   11.489   21.400   5.41  -1.22  -1.08   0.76 
1 1 1    5   26   10 f   10.687   0.9551   15.000 -85.3000   3.82  -8.10   1.03   1.68 
1 1 1    5   26   11 o   3.5262   0.8284   4.7817 -47.2000   0.69   0.23  -0.09  -0.04 
1 1 1    5   26   12 o   11.821   0.4532   4.0366   49.600   1.60   2.99   0.37  -1.28 
1 1 1    5   26   13 o   22.143   0.8292   28.037 -83.8000  -2.81  -4.70  -0.05  -1.87 
1 1 1    5   26   14 o   6.3431   0.5820   2.7514   73.700   0.02   0.53  -0.43   0.58 
1 1 1    5   26   15 o   5.5876   0.6348   6.1335  110.100  -0.13   0.32   0.04  -0.44 
1 1 1    5   26   16 f   2.4847   1.1566   7.7217  157.200  -0.21   0.74   0.44  -0.07 
1 1 1    5   26   17 o   14.196   0.8736   14.621 -60.4000   1.14  -3.73   0.74   0.21 
1 1 1    5   26   18 f   0.8403   1.1932   6.4457 -21.5000  -0.02   0.02  -0.00   0.00 
1 1 1    5   26   19 o   9.4677   0.4169   8.9402  -6.3000   0.52  -0.19   0.57   0.09 
1 1 1    5   26   20 o   7.0216   0.5754   10.225   38.700   1.87  -1.87   0.41   0.93 
1 1 1    5   26   21 o   14.851   0.2983   14.983 -92.1000  -1.32  -0.74   0.01  -0.26 
1 1 1    5   26   22 o   8.8965   0.5283   6.2728 -91.5000  -0.44  -0.78   0.21  -0.04 
1 1 1    5   26   23 o   10.119   0.4912   7.9079  173.100  -1.11   0.35   0.06   0.40 
1 1 1    5   26   24 o   4.7369   1.0189   1.9271   34.300   0.41   1.06   0.13  -0.03 
1 1 1    5   27    0 o   15.802   0.4191   8.2145 -90.6000   0.00   0.22   0.00   0.00 
1 1 1    5   27    1 o   8.2804   0.4874   7.9437  109.800   0.10   0.30   0.01  -0.04 
1 1 1    5   27    2 o   13.132   0.3320   15.567   37.700   0.53   0.07  -0.07  -0.09 
1 1 1    5   27    3 o   10.889   0.5393   4.7854 -60.2000  -0.53   1.61   0.19   0.30 
1 1 1    5   27    4 o   8.8190   0.7095   7.1531 -54.1000   1.93  -0.43  -0.17   0.13 
1 1 1    5   27    5 o   7.7590   0.5158   9.8594 -97.1000   0.43  -1.43   0.24   0.36 
1 1 1    5   27    6 f   5.8186   0.7391   8.6191 -10.8000  -0.28   0.71  -0.02   0.45 
1 1 1    5   27    7 o   3.6682   0.9451   4.4729 -51.5000  -0.01  -0.11   0.01   0.02 
1 1 1    5   27    8 o   16.039   0.6125   17.476 -128.4000  10.29 -19.24   6.04  15.33 
1 1 1    5   27    9 o   9.1847   0.9799   17.094  162.300   0.51   3.77   0.48  -0.29 
1 1 1    5   27   10 o   8.3345   0.5300   1.1709   98.100   1.03   0.05  -0.24   0.20 
1 1 1    5   27   11 f   8.7271   0.8061   19.971 -44.8000   3.15   7.88   2.34  -1.36 
1 1 1    5   27   12 f   2.8415   0.9701   4.2053 -157.8000  -0.08   0.12  -0.05  -0.12 
1 1 1    5   27   13 o   0.0000   2.2965  ?   ?   -0.02   0.01  -0.00   0.00 
1 1 1    5   27   14 o   8.5634   0.5094   3.0215 -49.2000   1.21  -0.83  -0.81   0.27 
1 1 1    5   27   15 o   8.2561   0.4973   5.4198   96.700  -0.56   0.37   0.05   0.14 
1 1 1    5   27   16 o   12.205   1.0908   4.4659 -140.0000  -4.41  -4.63  -0.18  -0.91 
1 1 1    5   27   17 o   11.154   0.4317   14.323 -119.5000   0.30   0.05   0.07  -0.06 
1 1 1    5   27   18 f   10.080   0.4640   10.933  130.400  -0.35   0.60  -0.57   0.05 
1 1 1    5   27   19 o   2.7815   1.0377   4.1674   60.800  -0.09  -0.04  -0.01   0.02 
1 1 1    5   27   20 o   14.923   0.3680   13.032 -135.6000  -0.78  -0.36  -0.13   0.01 
1 1 1    5   27   21 o   14.441   0.3728   8.8714 -50.2000   1.33  -1.08  -0.26   0.17 
1 1 1    5   27   22 o   9.8659   0.8604   11.098   73.200  -4.03   2.50   0.08   1.07 
1 1 1    5   27   23 o   0.0000   2.7019  ?   ?    0.01  -0.02   0.01  -0.00 
1 1 1    5   28    0 f   13.372   0.4972   6.7083   90.000   0.00   0.14   0.00   0.00 
1 1 1    5   28    1 o   10.316   0.8760   8.4267 -73.3000   0.16  -4.52   0.70  -0.17 
1 1 1    5   28    2 o   12.609   0.4596   11.830   25.200   0.76   0.39  -0.04  -0.02 
1 1 1    5   28    3 o   13.501   0.4496   11.973   59.100   3.46   1.91  -0.98  -0.55 
1 1 1    5   28    4 o   17.806   0.4216   14.013  129.400   0.83  -0.49  -0.18   0.02 
1 1 1    5   28    5 o   14.018   0.4041   11.443 -70.1000   4.07   0.28  -1.69  -2.02 
1 1 1    5   28    6 o   19.879   0.7407   20.184   31.700   3.20  14.54   6.13  -0.24 
1 1 1    5   28    7 o   14.143   0.3444   9.3069   44.200   1.65  -1.51  -0.31   0.44 
1 1 1    5   28    8 f   13.973   0.4107   8.9492  147.400  -0.40  -1.15   0.06  -0.17 
1 1 1    5   28    9 o   12.629   0.4089   13.610   32.500   5.04  -1.50  -1.26   1.90 
1 1 1    5   28   10 o   16.687   0.3118   11.383 -20.8000  -0.61  -0.49   0.28  -0.12 
1 1 1    5   28   11 o   4.5515   0.8274   8.0920 -175.2000  -0.26  -0.41  -0.05   0.56 
1 1 1    5   28   12 o   8.9802   0.4362   7.5436   2.7000   0.63  -1.30   1.53  -0.58 
1 1 1    5   28   13 f   13.907   0.3347   19.219 -55.0000   0.87  -0.56   0.50  -1.16 
1 1 1    5   28   14 o   28.982   0.2678   18.662   38.800   1.21   7.88   4.32   3.79 
1 1 1    5   28   15 o   4.7438   0.8071   6.2456   91.800  -0.09   0.21   0.03  -0.08 
1 1 1    5   28   16 o   20.922   0.5554   19.636 -158.8000  -6.96   6.54   2.27   4.32 
1 1 1    5   28   17 f   5.0557   2.3127   4.1522   99.900   0.09   1.56   0.12  -0.05 
1 1 1    5   28   18 o   5.6751   0.7069   8.8834 -125.5000   0.13  -0.14  -0.02   0.01 
1 1 1    5   28   19 o   6.5130   0.7482   3.9734  138.600  -1.29   0.07  -0.15   0.20 
1 1 1    5   28   20 o   14.371   0.3583   12.500   65.500   3.27  -1.44   0.50   1.48 
1 1 1    5   28   21 o   0.0000   2.8669  ?   ?   -0.00   0.04   0.00   0.00 
1 1 1    5   29    0 f   8.8600   0.6356   13.522 -90.1000  -0.00  -0.05   0.00   0.00 
1 1 1    5   29    1 o   10.704   0.4465   5.5333   78.900   0.24  -0.40  -0.02   0.06 
1 1 1    5   29    2 o   2.3145   1.2937   1.3123 -120.4000   0.18   1.18   0.18  -0.12 
1 1 1    5   29    3 o   10.112   0.8438   7.0531   82.400   1.76   1.16   0.04  -0.34 
1 1 1    5   29    4 o   5.2702   0.6491   3.3727 -16.9000   1.92   0.24  -1.19   0.62 
1 1 1    5   29    5 o   3.1612   1.4733   1.9631 -131.1000   0.14  -1.07   0.27  -0.06 
1 1 1    5   29    6 o   5.1785   0.8891   1.4206 -131.9000  -0.00   1.20   0.19   0.13 
1 1 1    5   29    7 o   7.0785   0.5817   5.8123 -27.6000   0.08  -0.29   0.05  -0.04 
1 1 1    5   29    8 o   5.3567   0.8125   6.3914 -113.6000  -1.86   0.09  -0.52   0.54 
1 1 1    5   29    9 o   6.7795   0.7343   7.7230  155.900  -0.61  -0.03  -0.03   0.18 
1 1 1    5   29   10 o   9.3778   1.0760   6.5375   91.300  -3.94   6.34   0.20   1.88 
1 1 1    5   29   11 o   7.6655   0.5560   8.2354 -66.3000   0.85  -0.03  -0.11  -0.09 
1 1 1    5   29   12 o   11.537   0.4735   11.186  100.900  -1.97   0.35  -0.37  -0.08 
1 1 1    5   29   13 o   13.083   0.3355   12.290  125.300   0.04   1.48   0.32  -0.48 
1 1 1    5   29   14 o   4.9936   0.9553   5.1604 -113.5000  -0.29  -0.76  -0.57  -0.04 
1 1 1    5   29   15 o   10.503   0.6218   7.6424 -179.0000   0.36  -2.89   0.44   0.61 
1 1 1    5   29   16 o   8.0416   0.9936   4.5580 -75.2000   0.92  -1.60  -0.01   0.22 
1 1 1    5   29   17 o   11.564   0.5064   7.9309 -158.5000  -0.10  -0.69  -0.02  -0.11 
1 1 1    5   29   18 o   7.9659   0.8203   10.736   96.400  -2.99   0.23  -0.45  -0.23 
1 1 1    5   29   19 o   5.2976   1.1533   6.9331  133.100  -0.64   1.20  -0.03   0.17 
1 1 1    5   30    0 o   11.054   0.6079   10.388 -89.0000  -0.00  -0.36   0.00   0.00 
1 1 1    5   30    1 o   7.7549   0.9941   5.9051 -174.3000  -0.46   0.70  -0.00   0.04 
1 1 1    5   30    2 o   11.843   0.5076   4.8331 -147.8000  -1.56  -1.00   0.17  -0.34 
1 1 1    5   30    3 o   11.689   0.6221   9.8953  150.300  -4.23  -1.83  -0.25  -1.26 
1 1 1    5   30    4 o   2.6066   1.5360   2.5202   98.900   0.64   0.52  -0.05  -0.06 
1 1 1    5   30    5 o   9.1896   0.5567   8.9371 -107.2000  -2.04  -1.60  -0.70  -0.45 
1 1 1    5   30    6 o   4.2183   1.0097   1.4438 -176.2000   0.44   0.12   0.24   0.07 
1 1 1    5   30    7 o   8.5262   1.2735   6.5240  161.100  -1.75   0.27  -0.09   0.07 
1 1 1    5   30    8 o   7.3936   0.7431   10.657 -164.5000  -0.04  -1.07   0.10   0.05 
1 1 1    5   30    9 o   7.6405   0.6791   7.3907   80.400  -0.34   1.34   0.05   0.36 
1 1 1    5   30   10 o   6.3839   0.7809   6.2106 -111.1000  -0.70  -0.06   0.26  -0.21 
1 1 1    5   30   11 o   16.056   0.3235   17.225 -151.3000  -4.20   0.81   0.23   3.78 
1 1 1    5   30   12 o   5.4921   0.9579   2.8013   64.000   1.50   0.69  -0.01  -0.35 
1 1 1    5   30   13 f   8.3734   0.5871   9.4650 -43.7000   0.50   0.00   0.02  -0.10 
1 1 1    5   30   14 f   4.8786   0.9192   6.1486   60.000   0.31   0.53   0.12   0.04 
1 1 1    5   30   15 o   5.5396   2.4236   5.3281  164.000  -0.62   0.85  -0.01   0.06 
1 1 1    5   30   16 o   0.0000   2.8242  ?   ?   -0.17  -0.36   0.17   0.12 
1 1 1    5   31    0 o   15.576   0.9995   18.041 -89.8000  -0.00  -0.48   0.00   0.00 
1 1 1    5   31    1 f   8.3133   0.7904   6.8370 -175.9000   0.21   0.07   0.01   0.02 
1 1 1    5   31    2 o   0.0000   2.7505  ?   ?   -0.26  -0.18   0.14   0.18 
1 1 1    5   31    3 o   7.2106   0.7472   5.7396  118.900  -0.34  -0.40   0.05  -0.01 
1 1 1    5   31    4 o   4.7375   1.9336   2.1125 -66.5000   1.20  -1.25   0.11   0.19 
1 1 1    5   31    5 o   7.5328   0.8501   12.115  177.500  -0.83   0.66  -0.12   0.05 
1 1 1    5   31    6 o   6.4118   0.8488   1.4762 -109.3000   0.92  -0.12  -0.08  -0.04 
1 1 1    5   31    7 o   5.1894   0.8351   4.1830 -141.4000  -1.23  -0.40  -0.04  -0.26 
1 1 1    5   31    8 o   9.8649   0.6262   12.001 -94.2000   0.14  -1.29  -0.14   0.41 
1 1 1    5   31    9 o   7.0928   1.4362   7.7671  168.000  -0.31   0.09  -0.00   0.00 
1 1 1    5   31   10 o   6.3814   0.8687   5.1028 -20.5000   1.51   0.01  -0.15   0.17 
1 1 1    5   31   11 o   3.5191   1.2281   7.9890 -105.6000   0.16   0.23   0.02   0.03 
1 1 1    5   31   12 o   9.8720   0.4538   8.6847  102.500  -1.42   0.71  -0.33  -0.08 
1 1 1    5   31   13 f   12.094   0.8258   13.514  126.000  -3.51   4.04  -0.65   0.92 
1 1 1    5   32    0 o   3.1145   1.4756   4.8664 -92.2000  -0.00  -0.30   0.00   0.00 
1 1 1    5   32    1 o   8.7894   0.7679   9.0451 -179.5000  -0.60   0.50  -0.10  -0.07 
1 1 1    5   32    2 o   8.8102   1.0660   4.7008  142.500   1.49   0.35  -0.12   0.05 
1 1 1    5   32    3 o   12.225   0.8322   9.9759  145.400  -1.59   2.69   0.42   0.14 
1 1 1    5   32    4 o   3.8418   1.1702   3.3688  104.600   0.01   0.64   0.03  -0.08 
1 1 1    5   32    5 o   4.6430   1.2081   6.2884  107.300  -0.66   0.05  -0.03   0.05 
1 1 1    5   32    6 o   4.4943   1.1948   4.3297   91.700   0.83  -0.41  -0.09  -0.02 
1 1 1    5   32    7 o   0.0000   3.0814  ?   ?    0.03   0.30  -0.07  -0.09 
1 1 1    5   32    8 o   5.5429   0.9605   9.3719 -125.8000  -0.30  -0.15   0.02   0.02 
1 1 1    5   32    9 o   4.0997   1.1305   7.4886  105.100   0.75   0.62  -0.13   0.28 
1 1 1    6    0    0 o   34.227   0.3327   1.4978  161.500  -0.41   0.00   0.00   0.00 
1 1 1    6    0    1 f   25.694   0.1951   29.579 -91.0000  -0.00  -0.14   0.00   0.00 
1 1 1    6    0    2 o   33.993   0.2323   41.771  -0.1000   0.14   0.00   0.00   0.00 
1 1 1    6    0    3 o   65.664   0.4034   65.404   89.500   0.00   0.18   0.00   0.00 
1 1 1    6    0    4 o   29.010   0.2240   28.627 -179.9000  -0.49   0.00   0.00   0.00 
1 1 1    6    0    5 o   8.2704   0.1601   0.7539   70.800  -0.00  -0.02   0.00   0.00 
1 1 1    6    0    6 f   57.634   0.3527   55.136  -0.0000  -0.09   0.00   0.00   0.00 
1 1 1    6    0    7 o   25.191   0.1832   21.079 -89.5000  -0.00  -0.26   0.00   0.00 
1 1 1    6    0    8 o   28.174   0.2026   53.744  179.800   0.27   0.00   0.00   0.00 
1 1 1    6    0    9 o   35.090   0.2350   21.599   89.400   0.00   0.50   0.00   0.00 
1 1 1    6    0   10 o   27.664   0.2081   44.985  180.000  -0.25   0.00   0.00   0.00 
1 1 1    6    0   11 o   60.973   0.3757   58.130   89.900  -0.00  -0.07   0.00   0.00 
1 1 1    6    0   12 o   19.476   0.2559   21.507   0.5000   0.03   0.00   0.00   0.00 
1 1 1    6    0   13 o   27.415   0.2225   18.541 -89.2000   0.00   0.01   0.00   0.00 
1 1 1    6    0   14 o   56.475   0.3651   59.931   0.4000   0.27   0.00   0.00   0.00 
1 1 1    6    0   15 o   90.008   0.5411   83.839 -90.4000   0.00   0.04   0.00   0.00 
1 1 1    6    0   16 o   89.731   0.5505  105.864  -0.1000   0.46   0.00   0.00   0.00 
1 1 1    6    0   17 o   48.402   0.3355   52.382 -90.2000   0.00   0.13   0.00   0.00 
1 1 1    6    0   18 o   8.3905   0.3487   2.2388   10.200  -0.02   0.00   0.00   0.00 
1 1 1    6    0   19 o  142.424   0.8688  125.959 -90.0000  -0.00  -0.63   0.00   0.00 
1 1 1    6    0   20 o   75.347   0.4669   63.973  -0.1000   0.79   0.00   0.00   0.00 
1 1 1    6    0   21 f   38.591   0.2995   17.938 -89.2000   0.00   0.13   0.00   0.00 
1 1 1    6    0   22 o   40.698   0.3315   48.520 -179.6000   0.08   0.00   0.00   0.00 
1 1 1    6    0   23 o   25.231   0.4516   11.076 -90.7000   0.00   0.05   0.00   0.00 
1 1 1    6    0   24 o   54.833   0.3884   44.988  179.900  -0.20   0.00   0.00   0.00 
1 1 1    6    0   25 o   28.011   0.2827   44.050   90.300   0.00   0.06   0.00   0.00 
1 1 1    6    0   26 o   18.458   0.2617   9.8503   0.2000   0.10   0.00   0.00   0.00 
1 1 1    6    0   27 o   4.3012   0.7267   16.575 -90.5000  -0.00  -0.05   0.00   0.00 
1 1 1    6    0   28 o   9.9197   0.4481   22.406 -179.8000   0.00   0.00   0.00   0.00 
1 1 1    6    0   29 o   33.441   0.3037   49.017 -89.9000   0.00   0.18   0.00   0.00 
1 1 1    6    0   30 o   24.046   0.2958   11.507  -0.5000  -0.22   0.00   0.00   0.00 
1 1 1    6    0   31 o   11.375   0.3907   2.4128 -91.4000   0.00   0.19   0.00   0.00 
1 1 1    6    0   32 f   31.254   0.3026   27.419 -180.0000  -0.29   0.00   0.00   0.00 
1 1 1    6    0   33 o   24.684   0.2982   32.556 -90.1000  -0.00  -1.20   0.00   0.00 
1 1 1    6    0   34 o   12.903   0.4019   17.789  -0.0000  -0.20   0.00   0.00   0.00 
1 1 1    6    0   35 f   38.252   0.3433   32.872   89.800   0.00   2.06   0.00   0.00 
1 1 1    6    0   36 o   33.439   0.3477   30.354 -179.7000  -0.36   0.00   0.00   0.00 
1 1 1    6    0   37 o   24.485   0.3205   27.682 -89.8000  -0.00  -0.07   0.00   0.00 
1 1 1    6    0   38 o   10.803   0.4952   9.8121  -0.1000  -0.13   0.00   0.00   0.00 
1 1 1    6    0   39 o   6.0828   0.7487   2.4707 -90.7000  -0.00  -0.17   0.00   0.00 
1 1 1    6    1    0 o   4.0249   0.2998   12.006  178.300  -0.04   0.00   0.00   0.00 
1 1 1    6    1    1 o   58.479   2.6704   52.065 -21.0000  17.96 -22.16   0.96   7.50 
1 1 1    6    1    2 o   27.155   0.3129   18.171 -168.5000  -0.97   1.41   0.13   1.78 
1 1 1    6    1    3 o   31.720   3.7427   35.479  140.800 -17.03  52.24   9.68   7.49 
1 1 1    6    1    4 o   21.239   0.8280   16.216 -101.6000  -0.20  -2.37   0.46  -0.12 
1 1 1    6    1    5 o   10.480   2.5115   5.2010   57.700  20.17  32.33   5.24 -11.08 
1 1 1    6    1    6 o   3.4847   1.0897   1.1570   55.000  -7.97   2.99  -1.25   1.06 
1 1 1    6    1    7 o   4.2526   0.4016   15.971   39.600   1.59  -1.32  -0.29   1.31 
1 1 1    6    1    8 o   29.776   0.5593   29.439 -96.0000   3.51  -3.79   0.73   2.85 
1 1 1    6    1    9 o   22.351   2.2496   18.063 -86.0000   1.76 -30.79   8.08   0.63 
1 1 1    6    1   10 o   7.4978   0.3362   20.755 -99.7000   2.03   0.95  -1.32  -1.91 
1 1 1    6    1   11 o   21.558   0.4262   16.664 -147.7000   0.30  -9.94  20.19   3.08 
1 1 1    6    1   12 o   68.999   0.2950   72.899  129.200   1.91   2.93  -8.36 -16.44 
1 1 1    6    1   13 o   85.653   1.8533   85.335 -10.8000  14.64   4.46  -4.39  -3.99 
1 1 1    6    1   14 o   67.190   0.6122   48.511   95.700   7.48   5.77  -1.06  -2.91 
1 1 1    6    1   15 o   26.956   0.3492   21.114  166.700  -1.22  -2.43   0.44  -0.67 
1 1 1    6    1   16 o   64.344   2.6514   54.822   12.900  16.66  21.63   2.45  -8.07 
1 1 1    6    1   17 o   66.618   0.9873   60.953  -7.3000   6.47   1.07  -1.26  -0.34 
1 1 1    6    1   18 o   38.868   0.6410   36.777 -72.3000  -2.93  -3.34   0.58  -2.65 
1 1 1    6    1   19 o   45.007   0.2264   43.815  115.200   1.89   2.11  -0.49  -3.37 
1 1 1    6    1   20 o   92.157   1.0521   95.367   29.000   5.31  -1.98  -1.16   1.57 
1 1 1    6    1   21 o   17.631   1.1064   28.567   31.300  15.41  11.63  -1.63  -6.00 
1 1 1    6    1   22 o   17.349   1.2072   35.361 -67.6000  20.79  -3.95 -11.65   4.27 
1 1 1    6    1   23 o   61.271   0.3098   57.038  112.700  -0.01  -0.14  -0.10   0.09 
1 1 1    6    1   24 o   39.227   1.0412   34.868 -122.4000  -2.63  -4.87   0.81  -1.01 
1 1 1    6    1   25 o   28.607   0.2022   25.964 -30.3000   0.03  -0.34   0.11   0.05 
1 1 1    6    1   26 o   12.055   0.3231   13.222  175.400  -0.73  -3.79   3.24  -1.03 
1 1 1    6    1   27 o   37.508   0.3562   34.432   22.500   1.86  -2.20   1.21   2.56 
1 1 1    6    1   28 o   36.176   0.9237   33.638  147.400 -11.43   4.35  -3.37   3.78 
1 1 1    6    1   29 o   35.577   0.5194   26.767  -3.0000   7.10   3.49  -2.51  -2.33 
1 1 1    6    1   30 o   19.182   0.4203   15.085 -30.2000  -0.24  -5.84   4.24  -1.07 
1 1 1    6    1   31 o   11.039   0.2897   2.3305  151.200   1.19  -0.53  -0.71   1.70 
1 1 1    6    1   32 o   4.4634   0.5997   5.0125  125.500  -0.25   0.15   0.01   0.38 
1 1 1    6    1   33 o   8.6118   0.6013   7.5404   20.400   3.01   0.87  -0.82  -0.41 
1 1 1    6    1   34 o   8.0162   0.3613   6.6873 -81.7000  -0.10   0.03   0.13  -0.14 
1 1 1    6    1   35 o   7.7515   0.4469   10.355  102.700  -1.10   0.70  -0.05   1.27 
1 1 1    6    1   36 o   18.461   0.4474   20.617 -47.3000   2.52   1.67  -0.10  -0.57 
1 1 1    6    1   37 o   22.864   0.6989   23.000   27.700   0.42   9.91   2.95   0.26 
1 1 1    6    1   38 f   4.9146   1.2507   2.8125 -86.5000   1.58   0.85  -0.16  -0.19 
1 1 1    6    1   39 o   8.1463   0.4664   3.8446  173.100  -0.22  -0.12  -0.00  -0.04 
1 1 1    6    2    0 o   35.815   0.2413   19.933  179.400  -0.34   0.00   0.00   0.00 
1 1 1    6    2    1 o   60.196   0.6193   62.952 -22.8000  -0.98  -3.91   3.30  -0.31 
1 1 1    6    2    2 f   86.563   2.9919   91.496   55.300 -12.59  42.34  13.49  11.63 
1 1 1    6    2    3 o  106.321   1.2622   99.155  144.900  -1.32   1.95   1.10  -0.47 
1 1 1    6    2    4 o   69.280   2.8197   55.445  170.800 -30.07  10.44  -5.31   5.00 
1 1 1    6    2    5 f   43.413   0.9490   36.946   7.8000   2.77  -9.34   4.34   2.03 
1 1 1    6    2    6 o   36.698   3.9759   45.446   2.4000  58.30   5.91 -11.15  -1.94 
1 1 1    6    2    7 o   34.364   0.8147   35.626 -158.5000  -5.28  -0.11  -1.83   0.15 
1 1 1    6    2    8 o   29.279   1.8224   25.632  156.300 -27.24 -15.76  -6.78 -10.33 
1 1 1    6    2    9 o   27.848   1.2434   16.577   7.1000  14.33  11.95  -1.80  -7.02 
1 1 1    6    2   10 o   36.808   1.1078   26.713  102.100 -11.91   4.39  -2.97   3.15 
1 1 1    6    2   11 f   12.282   2.3296   7.0106 -161.8000  32.63   8.02  -7.23  -3.87 
1 1 1    6    2   12 f   19.357   0.8383   15.657  102.600  -4.32  -5.09   0.60  -2.83 
1 1 1    6    2   13 o   38.812   0.2573   44.248   38.000   2.16  -1.66  -0.14   1.42 
1 1 1    6    2   14 o   60.083   0.3017   61.860 -99.9000  -2.14   0.67  -0.40   0.37 
1 1 1    6    2   15 o   28.348   1.5055   39.706  145.300  -5.59  20.84   5.59   3.06 
1 1 1    6    2   16 o   90.082   0.5671   83.789   70.100   0.24  -0.45   0.45   0.13 
1 1 1    6    2   17 o   72.544   1.8599   78.398 -92.8000  -9.36 -11.20   0.92  -3.77 
1 1 1    6    2   18 o   75.299   2.2805   76.099 -138.1000  16.03 -40.45  14.31  14.85 
1 1 1    6    2   19 o   57.199   1.7230   51.361 -78.3000 -10.51 -12.37   0.40  -4.10 
1 1 1    6    2   20 o   47.509   0.5780   41.037   18.400   4.10  -4.35   0.82   4.02 
1 1 1    6    2   21 o   24.016   0.4085   13.247   46.100   0.68   1.43   0.24  -0.33 
1 1 1    6    2   22 o   45.680   0.7283   42.138 -138.4000  -5.78   0.99  -4.69   2.50 
1 1 1    6    2   23 o   41.740   0.4012   40.154  128.600  -0.94  -0.74  -0.00  -0.30 
1 1 1    6    2   24 o   42.240   1.1867   35.558 -131.1000  -3.16  -5.40   0.79  -1.14 
1 1 1    6    2   25 f   32.594   0.6906   40.640   82.600   0.69   4.85   0.99  -0.35 
1 1 1    6    2   26 o   28.544   0.2147   36.803   27.400   1.32  -1.24   0.17   1.23 
1 1 1    6    2   27 o   22.081   0.5271   23.263   30.400   6.81   1.61  -2.16  -1.25 
1 1 1    6    2   28 o   26.908   0.4331   20.712 -145.3000   1.06  -0.78  -0.03   0.24 
1 1 1    6    2   29 o   16.156   0.8892   15.708   34.500  12.04   2.04  -3.57  -1.05 
1 1 1    6    2   30 o   13.736   0.9949   25.568   28.100  10.52  -1.86  -2.55   1.09 
1 1 1    6    2   31 o   18.125   1.2518   14.234 -176.8000 -21.92   1.21  -5.14   0.31 
1 1 1    6    2   32 o   27.298   0.2141   28.690  126.500  -0.82  -1.53  -0.09  -1.69 
1 1 1    6    2   33 o   26.517   1.5903   27.482 -107.2000 -63.55 -21.26 -26.24 -17.20 
1 1 1    6    2   34 o   25.758   0.4044   25.768   9.0000   2.12  -0.25  -0.63   0.67 
1 1 1    6    2   35 o   38.628   0.4105   36.622   79.700   3.27   1.78  -7.03   2.44 
1 1 1    6    2   36 o   24.653   0.2311   23.783  143.200   0.30   0.72   0.55   0.39 
1 1 1    6    2   37 f   30.329   0.2358   27.957 -51.5000   0.18  -0.09  -0.02  -0.00 
1 1 1    6    2   38 o   21.952   0.2429   20.851   66.800   1.85   0.32  -1.22   0.64 
1 1 1    6    2   39 o   8.3042   0.4881   5.2526  108.800  -1.14  -0.58  -0.90  -0.33 
1 1 1    6    3    0 o   23.184   0.1776   8.3024  175.800  -0.25   0.00   0.00   0.00 
1 1 1    6    3    1 o   23.915   0.9241   4.2671   68.300   4.19   6.89   2.93  -4.52 
1 1 1    6    3    2 f   38.869   2.7488   34.306  118.200  -2.17  48.42  16.34   2.24 
1 1 1    6    3    3 o   45.649   0.7242   48.435  156.600   0.26   2.89   0.80   0.02 
1 1 1    6    3    4 f   21.206   2.7670   42.833 -95.7000 -53.49   3.75 -19.30   3.21 
1 1 1    6    3    5 f   37.415   1.8243   45.796 -163.0000  -0.71 -18.81   7.02  -0.01 
1 1 1    6    3    6 o   27.725   1.8992   27.940  159.200  -8.06  16.79   3.32   3.77 
1 1 1    6    3    7 o   45.901   2.6826   49.414 -18.6000  38.62  17.31  -9.29 -12.25 
1 1 1    6    3    8 o   37.673   0.1908   52.962  115.100  -1.97  -0.25  -0.78   0.04 
1 1 1    6    3    9 o   33.268   1.9773   39.941   52.600  -3.02  24.05  11.62   4.05 
1 1 1    6    3   10 o   40.583   1.2256   55.772 -92.8000 -22.11 -17.06  -5.71 -15.10 
1 1 1    6    3   11 o   19.913   0.3697   20.180   78.200   6.21   2.26  -8.30  -5.78 
1 1 1    6    3   12 o   53.292   0.9937   60.157   62.300  -8.69   9.16   0.79   5.30 
1 1 1    6    3   13 o   19.521   0.3376   9.6939   13.500  -0.64   2.16   1.82   0.96 
1 1 1    6    3   14 o   22.805   0.4660   24.171 -106.1000   1.92  -0.79  -0.87   0.73 
1 1 1    6    3   15 o   68.590   2.0278   72.066 -53.3000   7.55 -23.43   4.20   2.81 
1 1 1    6    3   16 f   56.200   2.5066   38.548  -6.9000  21.86  29.66   4.58 -13.35 
1 1 1    6    3   17 o   27.249   0.5333   27.839 -129.5000   0.82  -2.27   0.99   0.96 
1 1 1    6    3   18 o   36.740   3.4134   33.398 -116.6000   3.89 -82.54  23.85   2.55 
1 1 1    6    3   19 o   13.722   0.7787   17.276 -110.1000  -5.34  -3.16  -1.71  -3.40 
1 1 1    6    3   20 o   79.754   1.7198   81.885   35.700  34.54  -9.13 -11.17   7.18 
1 1 1    6    3   21 o   30.133   1.5763   29.305 -86.3000 -15.82 -28.04   4.69  -8.04 
1 1 1    6    3   22 o   13.465   0.3146   10.681 -64.7000   0.04  -0.20   0.37   0.38 
1 1 1    6    3   23 o   37.482   1.2861   39.177  153.900  -8.53  -3.92  -1.84  -2.54 
1 1 1    6    3   24 o   13.981   1.7548   18.298 -31.1000  25.72 -17.95  -2.84   7.99 
1 1 1    6    3   25 o   37.851   0.2148   25.285 -75.4000   1.32   0.56  -1.13  -0.67 
1 1 1    6    3   26 o   17.576   0.2012   20.936 -81.5000   1.21   0.46  -1.66  -0.92 
1 1 1    6    3   27 o   35.642   0.6886   20.912   24.000  -1.01   6.08   0.87   0.23 
1 1 1    6    3   28 o   32.929   0.3821   26.021 -165.0000   1.34   4.03   1.46  -1.62 
1 1 1    6    3   29 o   11.951   0.9285   13.452 -77.5000   4.94  -3.78  -0.36   1.13 
1 1 1    6    3   30 o   27.116   0.9637   30.412   71.700 -15.28  15.81  -0.61  10.04 
1 1 1    6    3   31 o   27.803   0.2110   26.489 -40.3000   1.56   0.06  -1.96  -4.37 
1 1 1    6    3   32 o   11.955   0.8355   10.512   38.700  -0.20   7.38   2.03  -0.05 
1 1 1    6    3   33 o   14.973   0.8315   11.953   6.3000  10.59  -4.87  -2.11   2.88 
1 1 1    6    3   34 o   19.751   0.4193   16.375  -6.6000   1.61   1.97  -0.35  -1.30 
1 1 1    6    3   35 o   19.487   0.5058   12.476 -153.8000  -6.52   4.01  -0.97   3.62 
1 1 1    6    3   36 o   6.8322   0.8139   12.639 -32.4000  -0.68  -3.96   1.01  -0.52 
1 1 1    6    3   37 o   24.140   0.2280   18.425   54.300  -0.63   1.54  -0.58   2.35 
1 1 1    6    3   38 o   6.3790   0.6077   2.7186   52.800   0.34  -0.15  -0.21   0.01 
1 1 1    6    3   39 f   10.448   0.3559   8.4335 -70.7000   0.42  -0.45  -0.15   0.17 
1 1 1    6    4    0 f   38.373   0.2511   46.785 -179.8000  -0.16   0.00   0.00   0.00 
1 1 1    6    4    1 o   36.782   0.8615   32.609   30.600   5.13  -2.66  -1.02   1.95 
1 1 1    6    4    2 o   44.199   0.2056   47.677 -13.8000   1.16  -0.70  13.01   0.75 
1 1 1    6    4    3 o   30.586   0.7607   36.355   63.300  -4.71   1.61  -1.39   1.37 
1 1 1    6    4    4 o   58.624   3.3879   52.258 -177.3000 -53.01 -15.70 -10.15  -5.85 
1 1 1    6    4    5 o   13.708   0.1109   13.780 -72.9000   0.80  -0.77   0.44   1.99 
1 1 1    6    4    6 f   8.4208   0.1876   16.397   98.500  -2.08  -0.29  -7.87  -4.36 
1 1 1    6    4    7 o   24.154   2.4487   24.146 -119.5000 -15.60 -19.19   1.34  -5.33 
1 1 1    6    4    8 o   41.501   0.5468   33.011  127.200   0.81   0.28   0.43  -1.54 
1 1 1    6    4    9 o   43.746   0.9158   55.898  104.700   7.88  13.61   2.66  -6.53 
1 1 1    6    4   10 o   19.167   1.1229   19.949  169.400   1.78   5.29   1.00  -0.70 
1 1 1    6    4   11 o   26.703   3.3643   20.031   34.300  67.80 -14.18 -15.70   6.59 
1 1 1    6    4   12 o   25.958   2.9765   16.431 -97.5000 -46.94 -27.62  -6.59 -12.34 
1 1 1    6    4   13 o   3.3602   0.6192   9.6450  -7.2000   3.12  -0.54  -1.37   0.52 
1 1 1    6    4   14 o   61.134   0.8219   49.895 -124.9000  -9.95   1.29  -4.38   1.63 
1 1 1    6    4   15 o   82.518   0.3567   81.757  115.600   0.43  -0.18  -1.29  -2.22 
1 1 1    6    4   16 f   57.440   0.5312   65.140   29.300   1.02   0.21  -0.30  -0.20 
1 1 1    6    4   17 o   73.405   0.4938   54.973 -130.7000  -0.12  -0.11   0.01  -0.02 
1 1 1    6    4   18 o   91.924   1.5294   95.262 -166.7000  -5.85 -17.16   9.40  -5.71 
1 1 1    6    4   19 o   9.5645   0.7108   8.8771   42.000   0.58   1.84   0.36  -0.24 
1 1 1    6    4   20 o   12.916   0.4304   12.843   18.900   7.24   0.25  -6.60  -0.27 
1 1 1    6    4   21 o   33.596   0.7466   32.632 -165.8000  -4.81   7.20   1.30   2.84 
1 1 1    6    4   22 o   64.653   1.1202   72.538 -61.3000   6.52  -3.80  -1.89   2.49 
1 1 1    6    4   23 o   32.957   0.7968   34.762   16.100   4.59  -4.76   0.38   2.81 
1 1 1    6    4   24 o   39.246   0.4910   34.625 -95.3000  -6.01   0.39 -12.83  -1.03 
1 1 1    6    4   25 o   5.3622   1.2387   19.360   25.300   6.77   1.91  -1.89  -1.20 
1 1 1    6    4   26 o   43.158   0.5080   44.346 -36.8000   3.24  -1.70  -1.27   1.24 
1 1 1    6    4   27 o   13.715   0.8625   9.5194   46.000   7.72  13.84   3.38  -5.15 
1 1 1    6    4   28 o   43.103   1.2512   46.705 -125.9000 -28.09   2.30  -8.92   2.24 
1 1 1    6    4   29 o   11.513   0.2789   17.444   74.400   0.45  -0.28   0.22   1.66 
1 1 1    6    4   30 o   16.618   0.2188   21.118   94.400  -2.14   0.70  -5.76   1.06 
1 1 1    6    4   31 o   11.428   0.3092   8.4773  179.000  -1.77  -1.66   0.18  -1.61 
1 1 1    6    4   32 o   14.959   0.5348   7.7494 -40.8000   2.24   1.10  -0.34  -0.64 
1 1 1    6    4   33 f   29.362   0.3753   22.082 -107.1000  -6.16   0.22  -5.13   2.26 
1 1 1    6    4   34 o   38.672   0.2423   33.044 -27.1000   0.49  -0.79  -0.31   0.29 
1 1 1    6    4   35 o   20.955   0.7164   19.877   67.100   5.72   3.65  -0.84  -1.25 
1 1 1    6    4   36 o   13.728   0.2934   12.168 -99.3000   0.46   0.00   0.82  -0.88 
1 1 1    6    4   37 o   9.3864   0.4673   11.921  -0.4000   2.10   0.71  -0.63  -0.30 
1 1 1    6    4   38 o   19.031   0.3465   16.753   18.900  -1.20   3.72   1.05   1.81 
1 1 1    6    4   39 o   12.029   0.3707   10.527   99.800   0.96  -0.46  -1.12  -0.43 
1 1 1    6    5    0 o   60.849   0.3740   72.057  179.600  -1.60   0.00   0.00   0.00 
1 1 1    6    5    1 o   14.463   4.3526   3.5082 -27.1000  22.19 -84.76  18.65  10.22 
1 1 1    6    5    2 o   54.140   3.7288   58.672  125.600 -38.46  54.10   4.08  13.68 
1 1 1    6    5    3 o   5.0754   0.3225   11.123  140.600   1.16  -0.56  -0.59   0.67 
1 1 1    6    5    4 o   16.045   1.0547   9.7771 -117.2000  -6.36  -3.15  -1.09  -1.31 
1 1 1    6    5    5 o   53.220   1.5604   53.206   88.400   4.94  14.17   2.16  -2.16 
1 1 1    6    5    6 o   24.954   1.7060   25.845  125.500 -16.27 -19.54   3.13 -12.53 
1 1 1    6    5    7 o   33.411   1.4978   18.187   16.400  12.87  -4.33  -1.93   1.69 
1 1 1    6    5    8 o   29.363   0.2619   27.759 -89.7000  -0.30   0.21   0.00   0.08 
1 1 1    6    5    9 o   18.993   0.1292   22.818  139.300  -0.39   0.10  -0.03   0.02 
1 1 1    6    5   10 o   38.413   1.9062   46.537   8.0000   6.44  18.54   5.73  -4.08 
1 1 1    6    5   11 o   40.192   0.4198   38.080 -46.7000  -1.23  -2.69   0.56  -0.86 
1 1 1    6    5   12 o   59.228   1.2524   49.581  115.200   2.32  12.75   3.49  -1.59 
1 1 1    6    5   13 o   37.426   2.1941   20.871  115.700  -7.83  25.74   4.91   3.12 
1 1 1    6    5   14 o   53.711   1.0933   55.188   57.800   9.85   3.60  -2.65  -1.94 
1 1 1    6    5   15 o   58.293   1.9762   54.605 -27.6000  19.20 -31.37   6.86  12.43 
1 1 1    6    5   16 o   24.981   1.6452   26.901   32.600   2.58  15.76   3.54  -1.12 
1 1 1    6    5   17 o   43.136   1.3933   31.541  121.100 -16.41  -1.18  -5.38  -0.58 
1 1 1    6    5   18 o   41.333   1.1257   36.901 -23.2000   5.07  -4.06  -0.70   2.21 
1 1 1    6    5   19 o   49.406   0.4777   36.499 -11.3000   1.23   1.72   0.09  -0.55 
1 1 1    6    5   20 o   67.617   0.3068   60.823   7.2000   1.89  -4.18  10.03   5.82 
1 1 1    6    5   21 o   73.744   0.3349   63.938 -50.1000  -0.19  -0.28  -0.01  -0.06 
1 1 1    6    5   22 o   30.955   0.3254   31.818 -118.7000  -3.44   2.49  -0.97   6.34 
1 1 1    6    5   23 o   25.103   0.4372   11.607 -150.8000  -0.38   1.10   0.20   0.12 
1 1 1    6    5   24 o   8.1929   0.3841   0.6494 -22.4000   0.32   4.47   5.46  -0.53 
1 1 1    6    5   25 o   44.800   0.8277   43.102  109.400  10.15   9.48   0.59 -10.29 
1 1 1    6    5   26 o   42.496   0.2347   49.063 -124.1000  -0.54  -0.52  -0.10  -0.24 
1 1 1    6    5   27 o   15.154   0.6009   7.3902   41.800   1.40   4.60   1.05  -0.80 
1 1 1    6    5   28 o   26.758   0.2047   17.164  141.300  -0.62   1.39   0.35   0.27 
1 1 1    6    5   29 o   11.235   0.3683   9.6497 -156.5000  -0.88  -1.18   0.32  -0.70 
1 1 1    6    5   30 o   30.569   0.5190   27.137  110.700  -1.14   1.08  -0.14   0.37 
1 1 1    6    5   31 o   6.8167   0.9138   14.027   57.500   5.77   2.81  -1.16  -1.67 
1 1 1    6    5   32 o   18.159   0.6968   12.367 -27.0000  10.02   7.05  -1.52  -6.61 
1 1 1    6    5   33 o   9.8547   0.8567   11.712  177.600  -4.78  -3.48  -0.30  -1.62 
1 1 1    6    5   34 o   14.626   0.3581   7.0257  -7.1000   1.13   1.65   0.06  -0.70 
1 1 1    6    5   35 o   28.453   0.2282   23.418 -155.7000  -0.77  -1.89   1.52   8.68 
1 1 1    6    5   36 o   11.278   1.0790   13.281  161.500  -8.53  -1.13  -1.29  -0.47 
1 1 1    6    5   37 o   10.015   0.5960   7.3408   55.300  -2.89   3.95   0.24   1.59 
1 1 1    6    5   38 o   11.365   0.3362   5.5371   18.600   0.28  -0.02  -0.05   0.08 
1 1 1    6    5   39 o   11.910   0.3898   9.5262  152.900   1.18   0.66  -0.01  -0.35 
1 1 1    6    6    0 o   8.2583   0.1951   7.5063 -177.1000  -0.09   0.00   0.00   0.00 
1 1 1    6    6    1 o   16.248   3.1500   4.0588  109.000 -28.90  42.87   4.56  11.77 
1 1 1    6    6    2 o   16.868   0.5605   18.062 -69.9000   3.13   2.83  -2.90  -8.77 
1 1 1    6    6    3 o   22.345   1.3160   16.587   15.600  17.67  -3.01  -6.54   1.87 
1 1 1    6    6    4 o   10.438   0.2535   20.114 -146.9000   0.78   1.58   1.26  -2.41 
1 1 1    6    6    5 o   9.4975   0.1618   25.644 -28.0000  -1.30  -0.05  -1.94   0.22 
1 1 1    6    6    6 f   41.052   0.3468   40.532 -174.5000  -1.38   0.29  -0.26   0.24 
1 1 1    6    6    7 f   34.540   0.1876   32.691   45.000   1.43  -0.71   0.08   2.83 
1 1 1    6    6    8 f   40.625   1.2638   34.676 -145.3000  -9.18   5.76  -2.64   4.48 
1 1 1    6    6    9 f   14.229   3.2252   12.829   81.000   7.77  79.83  24.39  -4.59 
1 1 1    6    6   10 f   26.229   2.3734   32.766  169.900 -24.98   1.89  -3.45   0.59 
1 1 1    6    6   11 f   47.665   0.8017   55.043 -48.6000  -4.30  -9.25   3.60  -5.11 
1 1 1    6    6   12 o   42.920   2.9471   35.508  160.900 -37.25 -19.96  -4.66  -7.34 
1 1 1    6    6   13 f   33.729   2.9387   34.521 -142.1000 -49.02 -32.89  -5.93 -15.18 
1 1 1    6    6   14 o   96.407   0.6197   97.515  -7.8000   1.92   3.96   3.16  -2.36 
1 1 1    6    6   15 o   50.615   1.4780   49.840   92.300   2.24  12.55   2.94  -0.96 
1 1 1    6    6   16 o   72.500   0.4483   80.490   14.700   0.06   5.33   6.11   1.20 
1 1 1    6    6   17 o   84.321   0.5120   73.682 -93.8000  -0.33  -2.60   0.83  -0.41 
1 1 1    6    6   18 f   15.127   2.6088   3.9577   23.800  36.38  -7.27  -9.60   4.12 
1 1 1    6    6   19 f   21.937   0.4126   18.236 -104.9000   3.94  -2.09  -1.41   1.90 
1 1 1    6    6   20 o   49.768   1.8406   39.068 -15.2000  40.20  32.69  -3.86 -21.42 
1 1 1    6    6   21 o   42.419   0.2539   47.179 -151.5000   0.01  -0.68   1.22   1.09 
1 1 1    6    6   22 o   91.489   0.4967   87.094 -67.7000   1.40  -1.32  -5.83  -1.68 
1 1 1    6    6   23 o   72.915   1.4626   74.416   13.700  10.98  -8.39  -0.60   5.53 
1 1 1    6    6   24 o   50.798   3.1555   33.572  171.700 -88.98  -7.90 -21.95  -4.51 
1 1 1    6    6   25 o   9.0496   0.7732   10.414 -154.0000   4.42  -8.63   3.11   4.61 
1 1 1    6    6   26 f   46.526   0.2437   46.200 -87.9000  -2.27   0.32  -1.97   1.79 
1 1 1    6    6   27 o   33.779   0.2103   29.095 -171.9000  -1.41   7.43  11.67   1.25 
1 1 1    6    6   28 f   21.214   1.4283   31.437 -141.5000 -41.83  -0.67 -12.38   0.03 
1 1 1    6    6   29 o   21.312   0.2130   22.700   98.100   0.11   0.15  -0.29   0.37 
1 1 1    6    6   30 o   30.316   1.0335   36.909   99.100 -20.78   3.79 -14.37   3.10 
1 1 1    6    6   31 o   12.361   0.2607   13.882   42.300   0.25  -0.11  -0.40  -0.08 
1 1 1    6    6   32 o   11.960   0.2760   13.376   2.7000  -0.10  -0.09   0.31   0.15 
1 1 1    6    6   33 o   16.960   0.2549   15.586 -73.5000   0.07  -0.49  -1.09   0.16 
1 1 1    6    6   34 o   15.522   1.7495   14.877 -53.2000  28.84 -23.89  -2.77  10.95 
1 1 1    6    6   35 o   16.119   0.4877   11.714  -9.0000   2.25   1.25  -0.31  -0.34 
1 1 1    6    6   36 o   9.3348   0.6014   11.241 -156.4000  -0.50  -3.34   0.99  -0.12 
1 1 1    6    6   37 f   12.776   0.2999   15.857   75.200   0.33   0.63  -1.74  -0.62 
1 1 1    6    6   38 o   5.1314   0.9690   5.1477 -14.5000   3.24  -0.29  -1.01   0.39 
1 1 1    6    6   39 o   7.5092   0.5669   7.7053   80.400  -0.33  -0.51  -0.05  -0.17 
1 1 1    6    7    0 o   58.698   0.4522   85.160 -179.9000  -2.63   0.00   0.00   0.00 
1 1 1    6    7    1 f   54.541   2.3773   45.293  101.800 -33.05  29.82  -2.19  11.82 
1 1 1    6    7    2 o   31.687   3.3785   37.881 -65.8000   4.94 -57.13  15.30   2.04 
1 1 1    6    7    3 o   63.132   0.6666   62.563  170.200  -0.63  -0.49   0.90   1.41 
1 1 1    6    7    4 o   60.536   1.3530   67.564 -58.2000  -2.50 -15.54   6.95  -4.07 
1 1 1    6    7    5 o   28.514   0.3656   37.130 -121.3000  -0.82   0.46  -0.07   0.24 
1 1 1    6    7    6 o   31.785   1.0865   38.162  151.500 -15.15 -14.16   1.88 -25.19 
1 1 1    6    7    7 o   50.152   0.6639   36.817 -104.4000 -12.18   0.87 -17.26  -0.53 
1 1 1    6    7    8 o   33.779   0.1867   36.221 -125.6000   0.13  -0.70   0.26   0.20 
1 1 1    6    7    9 o   32.832   0.6553   38.872   45.100  -2.07   2.58   0.34   1.02 
1 1 1    6    7   10 o  122.550   2.1105  106.946   60.300  -4.63  15.53   4.25   4.80 
1 1 1    6    7   11 o   50.046   1.1517   38.368 -30.4000  14.10   1.93  -7.55  -2.72 
1 1 1    6    7   12 o   54.380   0.2492   59.178  143.200  -1.01  -0.34  -0.73  -2.29 
1 1 1    6    7   13 f   46.694   0.4543   37.302  140.600  -2.97   2.23  -0.60   4.05 
1 1 1    6    7   14 o   8.9454   0.3821   6.3952 -130.1000  -3.11  -1.17  -2.08  -1.91 
1 1 1    6    7   15 o   54.218   1.8924   42.116   35.400  22.17   8.21  -5.76  -4.58 
1 1 1    6    7   16 o   33.620   0.1963   15.149  177.800  -0.44  -0.43  -0.21  -0.71 
1 1 1    6    7   17 o   24.901   1.3476   14.315 -60.5000 -19.63  -1.94  -9.74  -1.59 
1 1 1    6    7   18 o   93.918   1.0285   76.199 -67.8000   0.16  -5.22   1.01  -0.12 
1 1 1    6    7   19 o   66.025   1.6935   68.649   14.800  24.46   8.59  -5.40  -4.74 
1 1 1    6    7   20 f   45.279   1.3235   46.011 -93.9000   9.27  -7.41  -0.64   4.09 
1 1 1    6    7   21 o   62.874   1.0695   40.245   15.200   4.39   8.28   1.68  -3.25 
1 1 1    6    7   22 o   50.549   1.1306   46.188 -117.3000   4.10 -14.83   9.67   7.83 
1 1 1    6    7   23 o   14.940   0.2416   12.819   62.100  -0.01   0.27   0.06   0.01 
1 1 1    6    7   24 o   9.5983   1.1106   4.8632 -163.9000   2.25  10.83   2.96  -1.22 
1 1 1    6    7   25 o   59.292   0.6600   58.479   84.500   5.85   1.53  -6.66  -9.40 
1 1 1    6    7   26 o   37.409   0.5715   39.339 -128.4000  -4.89  -0.64  -0.61  -0.11 
1 1 1    6    7   27 o   37.946   0.8856   36.147   89.400   9.61   9.93  -0.35  -4.70 
1 1 1    6    7   28 o   11.403   0.5994   18.876   69.200   2.06  -0.57  -0.42   0.21 
1 1 1    6    7   29 o   26.622   1.1019   29.170   34.700  24.83   9.80  -5.19  -4.26 
1 1 1    6    7   30 o   7.7220   0.6268   5.2813 -100.6000   0.48  -5.69   3.01   0.78 
1 1 1    6    7   31 o   30.869   1.9081   34.079   55.500  11.87  35.31   8.70  -5.50 
1 1 1    6    7   32 o   11.700   0.2858   9.8832 -45.1000  -0.27  -2.42   6.00  -5.13 
1 1 1    6    7   33 o   4.1719   0.6766   2.1736 -84.2000   0.15   0.22  -0.39  -0.34 
1 1 1    6    7   34 o   13.123   0.6392   13.441 -56.1000   0.51  -3.15   0.79   0.45 
1 1 1    6    7   35 f   4.4101   0.6988   7.6214  113.100  -0.21   0.95   0.17   0.04 
1 1 1    6    7   36 o   16.581   0.2728   15.813  167.100  -0.77  -0.88   1.65  -0.81 
1 1 1    6    7   37 o   19.153   0.5668   18.824   15.700   6.72  -2.80  -1.62   3.28 
1 1 1    6    7   38 o   10.563   0.5829   4.0825   11.100  -0.44  -3.16   0.77  -0.46 
1 1 1    6    8    0 o   30.516   0.2148   20.064   0.6000   0.33   0.00   0.00   0.00 
1 1 1    6    8    1 o   56.465   2.6477   59.990 -83.3000   0.60 -29.16  11.59  -1.00 
1 1 1    6    8    2 f   29.754   2.3686   20.619   1.6000  21.86  -4.98  -4.39   2.41 
1 1 1    6    8    3 f   50.335   2.0810   50.118   11.400  22.86  -1.02  -4.61  -0.00 
1 1 1    6    8    4 o   31.015   1.5033   24.070  120.600  -7.66   8.55   0.59   2.98 
1 1 1    6    8    5 o   41.212   0.1968   57.969  120.500  -0.53  -0.61   0.62  -0.79 
1 1 1    6    8    6 o   51.544   3.7555   45.434 -167.3000 -77.47  20.70 -17.69  10.90 
1 1 1    6    8    7 o   93.614   0.7906   89.777  104.300   6.79   6.12  -7.18 -11.74 
1 1 1    6    8    8 o   83.610   3.1253   85.333  140.800 -58.28   4.30 -15.67   1.32 
1 1 1    6    8    9 o   56.198   1.9863   50.591 -105.6000 -24.17  -8.75  -9.65  -7.14 
1 1 1    6    8   10 o   38.002   0.2006   24.801   47.600   1.34  -0.57  -2.38   1.25 
1 1 1    6    8   11 o   5.5029   0.2697   4.8789  -5.6000   0.19  -0.93   0.98   0.36 
1 1 1    6    8   12 o   40.892   0.2027   52.045   4.6000   0.04  -0.30   0.17  -0.01 
1 1 1    6    8   13 o   17.829   0.1540   17.080   62.300  -0.28   0.34  18.07   7.75 
1 1 1    6    8   14 o  104.234   1.4318  100.378   3.5000   7.79   3.34  -1.15  -1.54 
1 1 1    6    8   15 o   52.190   0.5392   53.544   6.4000   2.80   7.13   3.84  -2.95 
1 1 1    6    8   16 o   17.518   1.3044   28.847 -31.2000   8.07  -4.51  -1.25   1.92 
1 1 1    6    8   17 o   49.146   0.3058   34.520 -118.4000  -1.26   2.41   0.98   3.10 
1 1 1    6    8   18 o   42.538   1.8762   25.538  102.700  49.87  36.21  -9.22 -26.34 
1 1 1    6    8   19 f   55.501   0.3064   29.361 -32.6000   2.55   6.10   4.50  -6.11 
1 1 1    6    8   20 f   27.491   2.8159   21.265 -166.6000 -41.00  -1.42  -8.82  -0.46 
1 1 1    6    8   21 o   28.045   0.2543   31.737  168.100  -1.11  -1.69   3.24  -3.27 
1 1 1    6    8   22 o   53.796   0.2649   64.020 -44.6000   0.33  -0.41   0.61  -2.29 
1 1 1    6    8   23 o   35.237   1.9588   30.597   61.500  10.45  40.51   9.71  -5.05 
1 1 1    6    8   24 o   8.9700   1.9778   8.1653 -170.6000 -35.06   1.62 -12.68   1.00 
1 1 1    6    8   25 o   35.828   0.3431   31.239  125.200   0.31  -0.02  -0.11   0.60 
1 1 1    6    8   26 o   34.734   0.3073   37.783 -66.8000  -5.85  -6.58  -0.25  -5.36 
1 1 1    6    8   27 o   14.351   1.6849   20.877 -96.1000  -2.67 -24.83   4.77  -0.91 
1 1 1    6    8   28 o   33.957   0.3634   41.593 -104.3000   4.93  -1.62 -10.60   2.05 
1 1 1    6    8   29 o   16.847   1.7052   10.997   58.400 -14.89  23.86   2.37   5.32 
1 1 1    6    8   30 o   19.863   1.5077   18.892   49.100  38.43   2.83 -11.57  -1.13 
1 1 1    6    8   31 f   14.662   0.2412   21.468   38.500   2.24  -0.44  -0.84   0.58 
1 1 1    6    8   32 f   4.3014   1.1409   7.7836   34.200   2.75  -0.86  -0.45   0.38 
1 1 1    6    8   33 o   25.400   0.6324   25.022   21.700   1.55   3.37   0.23  -0.43 
1 1 1    6    8   34 o   15.848   0.8250   18.821 -53.4000  11.82   6.51  -2.42  -5.25 
1 1 1    6    8   35 o   8.9494   0.3906   11.377 -87.5000  -0.19   0.03  -0.02   0.11 
1 1 1    6    8   36 o   9.7110   0.3863   12.398 -155.5000  -0.36   0.75   0.07   0.53 
1 1 1    6    8   37 o   4.4652   0.7300   4.3620   50.700   0.89   0.12  -0.32  -0.25 
1 1 1    6    8   38 o   3.5533   0.9174   1.1450   27.700  -1.39   0.85  -0.40   0.40 
1 1 1    6    9    0 f   10.840   0.2259   21.809  179.100  -0.20   0.00   0.00   0.00 
1 1 1    6    9    1 o   6.6717   0.2631   7.3559 -124.4000  -0.96   1.97   3.14   3.49 
1 1 1    6    9    2 o   54.040   2.9681   57.191 -16.3000  -1.77 -71.61  30.17  -2.80 
1 1 1    6    9    3 o   31.181   0.2841   40.104 -105.6000   6.77  -3.01  -5.98   5.24 
1 1 1    6    9    4 o   36.537   1.7116   28.599 -53.8000 -14.44 -23.42   5.44 -12.28 
1 1 1    6    9    5 o   53.005   0.6602   74.192 -76.1000  -5.16  -2.28 -13.53  -6.61 
1 1 1    6    9    6 o   41.547   2.3871   59.254 -122.4000  -2.13 -47.87  12.17  -0.71 
1 1 1    6    9    7 o   66.721   0.2862   47.687 -63.3000  -2.75   0.83  -0.98   0.34 
1 1 1    6    9    8 o   34.261   0.8529   42.551  106.900  -4.27   1.43  -1.75   1.57 
1 1 1    6    9    9 o   52.590   0.2420   30.583   73.800  -0.44  -0.23  -0.05  -0.24 
1 1 1    6    9   10 o   49.130   1.6359   54.422 -16.2000   2.16 -12.87   5.78   1.55 
1 1 1    6    9   11 o   25.018   0.5109   26.283 -22.9000   2.11  -2.57   0.15   0.94 
1 1 1    6    9   12 f   96.119   1.2908   88.699 -159.1000  -4.45  -0.20  -2.42   0.29 
1 1 1    6    9   13 o   45.328   0.2190   55.378   9.1000  -0.47   3.54   9.24   4.90 
1 1 1    6    9   14 o   63.098   0.3752   68.323 -176.8000  -1.03  -4.81   2.99  -0.86 
1 1 1    6    9   15 o   45.982   3.5917   46.782   86.800  86.30  78.42  -4.41 -39.58 
1 1 1    6    9   16 o   52.408   0.2484   40.565 -138.0000   0.13  -0.49  -0.25   1.42 
1 1 1    6    9   17 o   37.272   0.2031   31.537   69.600   1.50  -0.81  -0.53   0.64 
1 1 1    6    9   18 o   58.671   0.2709   51.162   15.100   0.12   0.39   0.14  -0.56 
1 1 1    6    9   19 o   66.712   0.4109   79.991 -13.4000   0.43  -3.50   4.39  -0.57 
1 1 1    6    9   20 o   48.352   0.6563   36.717 -80.3000   4.57  -3.15  -0.56   2.29 
1 1 1    6    9   21 o   7.3388   3.1465   15.114   96.100  15.83  11.05  -0.24  -0.63 
1 1 1    6    9   22 o   41.158   1.6756   48.891 -105.8000  -5.33 -38.38  13.78  -3.35 
1 1 1    6    9   23 o   61.553   1.6093   57.877  120.300 -20.81  13.34  -3.16   5.56 
1 1 1    6    9   24 o   39.450   1.0509   35.777 -25.1000   7.56 -10.56   1.51   3.54 
1 1 1    6    9   25 o   36.186   1.3179   22.672  154.900 -34.89  -1.27  -7.09  -0.25 
1 1 1    6    9   26 o   23.526   0.2799   26.484 -136.5000   2.25  -5.09   1.70   1.49 
1 1 1    6    9   27 o   15.424   0.5356   9.8358  139.800  -2.97   1.36  -0.83   0.77 
1 1 1    6    9   28 o   20.353   0.7834   19.277   78.400   0.58   7.26   1.37  -0.34 
1 1 1    6    9   29 o   12.933   0.2562   11.187 -50.1000  -0.65  -1.43   2.28  -1.13 
1 1 1    6    9   30 o   11.027   1.1245   5.6175 -137.4000  -1.62 -15.53   4.83  -0.73 
1 1 1    6    9   31 o   16.130   0.8972   12.251  163.500 -15.24 -15.07  -0.82  -9.21 
1 1 1    6    9   32 o   1.2884   1.0864   1.9835   70.000   0.60  -0.81   0.32   0.44 
1 1 1    6    9   33 o   23.209   0.2272   23.865  174.200  -0.35  -0.01   0.41   0.13 
1 1 1    6    9   34 o   19.648   0.2348   20.251 -55.5000   0.13  -0.31  -0.44   0.07 
1 1 1    6    9   35 f   1.4168   1.0737   4.0066 -23.0000   0.21   0.02  -0.08  -0.37 
1 1 1    6    9   36 o   12.552   0.4713   8.4378 -118.6000   0.46  -1.56   0.34   0.53 
1 1 1    6    9   37 f   17.873   0.3616   17.417   19.700   1.87  -0.84  -0.15   0.43 
1 1 1    6    9   38 o   10.769   0.7405   8.2448  128.600   0.74   1.80   0.28  -0.13 
1 1 1    6   10    0 o   43.689   0.2876   41.436 -179.7000  -0.14   0.00   0.00   0.00 
1 1 1    6   10    1 o   34.266   1.6226   11.595 -161.6000 -14.34  16.06   0.36   4.49 
1 1 1    6   10    2 o   15.155   1.9164   14.332   24.800  32.52  -2.64 -10.94   1.96 
1 1 1    6   10    3 o   29.918   1.9707   24.117  136.600  -9.56  15.56   1.71   3.14 
1 1 1    6   10    4 o   41.833   2.7180   33.783   19.400  42.36  31.37  -3.31 -12.09 
1 1 1    6   10    5 o   68.405   0.7933   64.003  142.900  -0.25   1.87   0.87  -0.01 
1 1 1    6   10    6 f   15.282   1.1152   28.636   36.700  10.78   5.42  -2.21  -3.10 
1 1 1    6   10    7 o   28.697   2.2757   27.730   39.200  13.11  30.18   7.54  -8.43 
1 1 1    6   10    8 f   29.685   1.8270   30.175 -32.7000  14.62  -4.52  -3.09   2.24 
1 1 1    6   10    9 o   75.445   3.6016   68.286 -159.8000 -55.49  16.19 -16.17  11.45 
1 1 1    6   10   10 o   94.696   0.4817  111.712 -152.7000   0.88  -1.01  -0.44   1.16 
1 1 1    6   10   11 o   61.322   3.7020   60.228  142.100 -107.10   3.13 -27.49   1.14 
1 1 1    6   10   12 o   62.593   0.3416   55.201 -131.2000   3.13  -0.07  -1.04  -0.09 
1 1 1    6   10   13 o   13.599   3.1258   16.413 -100.7000   5.40 -76.54  20.92   3.06 
1 1 1    6   10   14 o   71.729   1.0152   55.221   86.300  -1.94   8.81   3.51   1.21 
1 1 1    6   10   15 o   51.982   0.6245   35.598 -176.7000  -2.29  -2.02  -0.39  -1.22 
1 1 1    6   10   16 o   73.061   0.6995   68.849 -68.1000  -0.79  -1.18   0.03  -0.27 
1 1 1    6   10   17 o   42.247   0.4216   51.476  168.800  -1.24  -3.01   0.82  -0.98 
1 1 1    6   10   18 o   13.240   1.5026   17.078 -24.3000  13.69  -6.03  -2.91   3.28 
1 1 1    6   10   19 o   50.842   0.4182   44.212 -41.9000   0.46   1.17   0.31  -0.53 
1 1 1    6   10   20 o   26.378   0.8820   22.210 -169.0000  -3.31   1.87  -0.48   0.98 
1 1 1    6   10   21 o   48.002   0.3047   49.523  144.700   0.49  -0.30  -0.07   0.08 
1 1 1    6   10   22 o   54.882   1.0120   57.008 -22.2000   6.28  -3.10  -1.34   1.40 
1 1 1    6   10   23 o   17.329   1.3929   16.980 -38.9000  25.39  26.06   0.87 -17.14 
1 1 1    6   10   24 o   33.406   2.5315   28.520 -169.7000 -91.62 -72.86  -7.31 -35.40 
1 1 1    6   10   25 o   31.710   0.2112   21.532   80.900   4.60  -0.74  -8.78   8.31 
1 1 1    6   10   26 o   24.686   0.3768   27.498  166.300  -6.43  -7.07  -0.15  -5.19 
1 1 1    6   10   27 o   14.956   0.4749   20.772   19.800  -1.55   1.53   0.04   0.45 
1 1 1    6   10   28 o   44.696   0.4289   37.538 -99.2000   2.36  -1.94  -3.52   2.04 
1 1 1    6   10   29 o   8.6519   1.3114   8.9050 -54.8000 -14.51 -17.89   1.40  -8.09 
1 1 1    6   10   30 o   17.241   1.3848   13.912   26.000  22.04   0.23  -5.29   0.21 
1 1 1    6   10   31 o   17.337   0.4946   19.988 -52.4000   6.91   0.05  -2.08  -0.29 
1 1 1    6   10   32 o   13.362   0.3462   13.012   35.500   1.51  -0.62  -0.26   0.48 
1 1 1    6   10   33 o   28.056   0.5813   18.856   52.400   8.74  -1.73  -3.24   2.68 
1 1 1    6   10   34 o   17.490   1.3729   11.222 -26.2000  18.45   6.15  -2.73  -2.48 
1 1 1    6   10   35 o   4.6258   0.6384   0.6500   44.700  -0.11   0.25   0.01   0.01 
1 1 1    6   10   36 f   8.9978   0.4176   15.839 -147.5000  -0.41  -0.19   1.25   0.10 
1 1 1    6   10   37 o   8.6039   0.4813   8.3745 -82.2000  -2.15   0.16  -1.33   1.05 
1 1 1    6   11    0 o   6.4653   0.3376   18.685 -178.3000  -0.06   0.00   0.00   0.00 
1 1 1    6   11    1 o   21.715   1.1976   16.904   63.600  -2.04  16.02   8.36   1.90 
1 1 1    6   11    2 f  103.198   2.2518   94.917  104.400 -22.19  25.79   0.60   9.09 
1 1 1    6   11    3 o   50.120   0.8478   61.664  -3.0000   1.44  -0.49  -0.23   0.24 
1 1 1    6   11    4 o   36.928   0.8904   32.846 -17.3000   1.50   1.37  -0.06  -0.36 
1 1 1    6   11    5 o   28.039   2.8560   14.407 -123.6000  -1.32 -52.36  13.69  -0.89 
1 1 1    6   11    6 o   27.499   1.4074   17.568 -56.2000  11.63  -6.09  -1.63   2.23 
1 1 1    6   11    7 o   59.872   0.2631   71.843 -94.9000   0.15  -0.02  -0.02  -0.00 
1 1 1    6   11    8 o   65.999   0.4078   68.081 -70.3000   0.33   0.05  -0.12  -0.12 
1 1 1    6   11    9 o   74.904   2.0683   93.913   99.600   6.72  19.85   6.46  -5.62 
1 1 1    6   11   10 o   92.412   0.3867   91.401 -103.9000  -5.67   0.55  -1.04   0.09 
1 1 1    6   11   11 o   72.305   0.3149   68.456 -148.1000   2.36  -2.99   0.07   2.55 
1 1 1    6   11   12 o   52.497   1.5177   53.629  177.100 -16.92  -2.02  -6.94  -1.30 
1 1 1    6   11   13 o   62.950   1.4159   64.378 -29.5000  -1.61 -32.19  29.74  -6.21 
1 1 1    6   11   14 o   69.539   0.3057   58.670  112.800  -1.06  -0.01  -0.85  -0.79 
1 1 1    6   11   15 o   63.748   1.8141   67.453 -169.6000 -11.54 -18.30   4.46  -7.57 
1 1 1    6   11   16 o   27.837   1.1520   31.596 -32.0000   8.58 -11.35   0.89   2.93 
1 1 1    6   11   17 o   17.669   0.5023   14.354   92.500   2.95   1.46  -0.95  -1.42 
1 1 1    6   11   18 o   58.552   0.2923   62.270   25.800   0.00  -1.50   1.07   0.46 
1 1 1    6   11   19 o   42.475   0.6877   45.874 -23.8000   1.17  -7.71   9.98   0.79 
1 1 1    6   11   20 o   23.916   1.4635   20.595 -51.0000  17.33  17.95   0.85 -11.26 
1 1 1    6   11   21 o   23.344   1.6710   25.021  108.800   3.99  36.96  10.91  -2.61 
1 1 1    6   11   22 o   29.172   1.4737   37.414  161.600  -9.81  24.83   6.14   5.32 
1 1 1    6   11   23 o   31.378   0.3628   33.261  138.000  -0.11   1.31   0.27   0.10 
1 1 1    6   11   24 o   5.6150   0.4647   10.689 -11.4000   0.62   0.42  -0.25  -0.45 
1 1 1    6   11   25 o   12.615   0.2519   16.703 -146.5000  -3.30   2.06  -0.79   2.10 
1 1 1    6   11   26 o   10.385   1.0782   7.5343 -28.7000   1.76 -17.91   6.52   1.05 
1 1 1    6   11   27 o   21.570   1.0002   18.442   50.500  -8.72  17.31   4.06   6.53 
1 1 1    6   11   28 o   8.6981   1.0030   17.976   73.800  -1.78   8.20   1.86   0.73 
1 1 1    6   11   29 o   6.1802   0.4753   7.6978 -61.8000  -0.13  -0.74   0.40  -0.03 
1 1 1    6   11   30 o   16.875   0.5756   17.835  116.100  -1.63   2.33   0.34   0.59 
1 1 1    6   11   31 o   5.1538   0.6669   4.7787  135.900   0.89  -0.97  -0.02   0.23 
1 1 1    6   11   32 o   14.753   1.4848   8.8255 -20.6000  14.93 -14.12   0.06   4.19 
1 1 1    6   11   33 o   27.039   0.2291   26.239  148.700  -1.11   1.60   4.74  -4.62 
1 1 1    6   11   34 o   22.545   0.3583   19.711 -156.5000  -5.10   0.06  -2.83   1.40 
1 1 1    6   11   35 o   10.568   0.3628   11.778  161.800  -2.19  -1.89  -0.71  -1.48 
1 1 1    6   11   36 o   7.7611   0.4994   9.0675 -49.2000  -0.36   0.03   0.74  -0.34 
1 1 1    6   11   37 o   7.7632   0.5213   5.0646   18.800   1.39   1.66  -0.13  -0.62 
1 1 1    6   12    0 o   80.082   0.4748   70.131 -179.9000  -0.12   0.00   0.00   0.00 
1 1 1    6   12    1 o   74.786   0.4865   70.529   72.300  -0.73   0.72   0.13   0.34 
1 1 1    6   12    2 o  119.867   1.0807   98.434  125.100 -17.84   1.40  -7.71  -0.23 
1 1 1    6   12    3 o   44.357   0.3961   40.584 -10.5000   0.54   0.08  -0.51   0.09 
1 1 1    6   12    4 o   73.853   2.2703   67.514   27.100  36.41  19.76  -5.45  -9.06 
1 1 1    6   12    5 o   18.880   2.5341   15.045 -41.4000  28.33 -35.91   2.87  11.62 
1 1 1    6   12    6 o  140.378   2.5390  149.278 -20.9000  10.58   6.00  -3.57  -3.82 
1 1 1    6   12    7 o   79.955   1.5733   67.903 -49.1000   1.13  -4.46   1.62   0.60 
1 1 1    6   12    8 o   73.798   0.5188   71.291 -47.8000   0.99  -6.22   1.35   0.57 
1 1 1    6   12    9 o   56.629   3.1911   50.315 -150.2000 -48.35 -27.66  -8.14 -13.04 
1 1 1    6   12   10 o  103.261   0.4221  102.321 -179.0000  -2.45   3.50   0.17   1.00 
1 1 1    6   12   11 o   44.217   4.1001   66.066 -14.2000 111.68 -69.05 -16.06  33.24 
1 1 1    6   12   12 o   46.814   1.8576   45.319   49.400   1.58  21.25   6.66  -0.62 
1 1 1    6   12   13 o   31.691   1.4797   23.070 -44.7000  14.60  -0.87  -4.74   0.36 
1 1 1    6   12   14 o   71.529   1.6952   85.544   86.000  24.13  27.02   0.62  -8.80 
1 1 1    6   12   15 o   33.838   1.2673   39.191 -125.0000 -22.11 -17.32  -2.02  -7.50 
1 1 1    6   12   16 o   36.004   0.4173   42.850 -61.9000  -0.04  -0.51   0.16   0.01 
1 1 1    6   12   17 o   64.987   0.3075   51.168 -152.9000  -0.20   0.11  -0.07   0.01 
1 1 1    6   12   18 o   30.987   1.6734   28.664   67.400   8.02  13.18   1.61  -2.78 
1 1 1    6   12   19 o   23.151   0.8309   24.892  -2.6000   5.63   2.14  -2.23  -1.68 
1 1 1    6   12   20 o   30.939   0.3287   33.548  137.300   2.10   3.36   0.79  -2.30 
1 1 1    6   12   21 o   23.335   0.7182   13.263 -161.4000  -9.80   0.03  -3.89   0.26 
1 1 1    6   12   22 o   52.269   1.0381   55.168 -31.7000  13.06  -0.88  -4.07   0.09 
1 1 1    6   12   23 o   40.006   1.6597   47.472 -48.4000  47.95 -20.04  -8.85   8.28 
1 1 1    6   12   24 o   13.645   0.3428   25.399  139.300  -2.25  -1.59  -0.40  -1.94 
1 1 1    6   12   25 f   9.4064   1.2014   7.3940   87.700  12.25  14.34   0.77  -6.09 
1 1 1    6   12   26 o   29.971   0.2146   29.601  165.600   1.08   0.25   6.50  -1.27 
1 1 1    6   12   27 o   15.768   0.7549   12.305  108.200  -0.71   9.24   3.20   0.19 
1 1 1    6   12   28 o   18.948   0.8660   20.981 -63.8000   3.01 -12.01   3.39   2.31 
1 1 1    6   12   29 o   14.750   0.8374   20.907 -174.3000  -8.20  -1.63  -1.88  -0.59 
1 1 1    6   12   30 o   9.3916   1.0686   12.103 -144.4000  -2.96  -8.69   1.74  -1.10 
1 1 1    6   12   31 o   9.7888   0.9996   11.940 -114.7000   6.94 -11.34   1.59   3.88 
1 1 1    6   12   32 o   15.233   0.3108   13.401  -4.2000   1.49   0.04  -0.30  -0.11 
1 1 1    6   12   33 o   15.460   1.7193   10.597  106.700 -41.94  11.67 -10.48   5.34 
1 1 1    6   12   34 o   14.341   0.6556   11.213   69.400   4.66   6.24   0.94  -2.00 
1 1 1    6   12   35 o   3.5407   1.3895   3.7898  -6.2000   1.11  -0.22  -0.19   0.04 
1 1 1    6   12   36 o   16.874   0.3634   17.513 -160.1000  -2.36  -2.41   1.33  -1.94 
1 1 1    6   13    0 o   75.605   0.4477   72.758 -179.8000  -0.11   0.00   0.00   0.00 
1 1 1    6   13    1 o   27.563   1.6341   27.154   30.800   7.46  18.19   4.01  -4.11 
1 1 1    6   13    2 o  162.489   0.8096  155.894  108.900  -0.40   0.23  -0.01   0.01 
1 1 1    6   13    3 o   86.538   2.7649   66.880  -7.0000  26.04  30.41   1.64 -16.82 
1 1 1    6   13    4 o   82.032   0.3433   80.534   2.5000   1.39  -4.50   2.64   2.81 
1 1 1    6   13    5 o   50.115   0.2382   57.962 -139.4000  -5.01   7.58   4.29  15.24 
1 1 1    6   13    6 o   14.982   0.7249   14.688 -96.1000  -7.02  -2.52  -3.56  -2.79 
1 1 1    6   13    7 o   65.418   1.5012   65.303 -103.4000  -7.89  -6.71  -1.07  -4.17 
1 1 1    6   13    8 o   55.907   1.0990   67.100 -156.3000 -10.35   7.67  -1.07   2.95 
1 1 1    6   13    9 o   73.141   1.6282   78.313   77.800  14.39  16.40   0.52  -8.78 
1 1 1    6   13   10 o   64.287   1.3184   60.506  152.200 -18.86  -4.52  -7.06  -4.52 
1 1 1    6   13   11 o   46.456   2.3331   45.376 -128.8000 -10.83 -15.38   1.00  -3.23 
1 1 1    6   13   12 o   4.9088   2.1442   3.3070 -35.0000   8.23  -1.92  -0.50   0.24 
1 1 1    6   13   13 o   56.301   2.0442   58.217   14.700  26.85  43.51   9.85 -18.07 
1 1 1    6   13   14 o   18.022   0.7174   24.803  106.400  -8.69  -8.42  -0.22  -4.22 
1 1 1    6   13   15 o   49.442   1.4204   49.260 -162.9000   2.56 -18.06  16.01   6.58 
1 1 1    6   13   16 o   23.073   0.3331   9.4505   30.400  -0.02   0.42   1.15   1.26 
1 1 1    6   13   17 o   24.535   0.2767   17.823   49.300   1.91  -1.76  -2.24   5.53 
1 1 1    6   13   18 o   40.407   1.3839   32.702   74.400   4.32  11.40   2.81  -2.97 
1 1 1    6   13   19 o   76.029   1.4780   81.275 -35.7000  -0.34 -27.68   9.55  -1.21 
1 1 1    6   13   20 o   47.143   1.9629   44.554 -105.2000 -10.71 -39.65   9.60  -6.31 
1 1 1    6   13   21 o   35.350   1.3353   27.276  140.300 -20.75  12.78  -2.79   6.32 
1 1 1    6   13   22 o   33.374   1.0259   41.670  130.300 -22.07  -3.62  -5.22  -2.08 
1 1 1    6   13   23 o   4.2092   0.6089   6.8971   82.500  -0.60  -0.25  -0.57  -0.38 
1 1 1    6   13   24 o   12.243   0.8885   9.7381  103.200   5.61   9.71   1.57  -3.07 
1 1 1    6   13   25 o   8.2164   0.5425   11.047  139.600  -1.99   2.67   0.37   0.94 
1 1 1    6   13   26 o   13.164   0.5234   10.411 -74.1000   5.38   6.70   1.65  -4.94 
1 1 1    6   13   27 o   14.558   0.4021   10.527 -40.2000   2.81   0.16  -0.77   0.02 
1 1 1    6   13   28 o   8.4701   0.7398   6.4619   55.400   4.45  -4.07  -0.31   1.77 
1 1 1    6   13   29 o   22.366   0.2110   19.555 -143.5000  -0.30  -0.07  -0.01   0.46 
1 1 1    6   13   30 o   18.600   0.4811   19.464  116.300  -0.91   1.08  -0.02   0.16 
1 1 1    6   13   31 o   14.965   0.2600   16.935   52.100   1.20   0.52  -0.66  -0.22 
1 1 1    6   13   32 o   21.696   0.7805   19.571 -14.5000  16.97  -1.53  -6.85   2.53 
1 1 1    6   13   33 o   23.437   0.4929   25.310   72.200   8.40   1.60  -3.92  -0.24 
1 1 1    6   13   34 o   17.737   0.2633   18.156  172.400  -1.29  -0.87  -1.21  -0.33 
1 1 1    6   13   35 o   7.5615   1.5201   7.7608  110.200   3.08   8.27   1.64  -1.10 
1 1 1    6   13   36 o   6.6353   0.6022   6.5617   11.900  -0.50   0.24   0.13   0.28 
1 1 1    6   14    0 o   97.624   0.5612   86.437 -179.8000   0.05   0.00   0.00   0.00 
1 1 1    6   14    1 o   33.309   2.2115   38.371  151.300 -16.28  32.25   5.66   7.38 
1 1 1    6   14    2 o   65.609   1.0336   58.702   92.400   6.91   4.53  -2.88  -4.78 
1 1 1    6   14    3 o   30.908   1.1382   33.662 -41.3000   1.36  -2.69   0.21   0.27 
1 1 1    6   14    4 o   31.509   1.3796   36.359 -18.5000  35.11  16.25 -11.79 -14.54 
1 1 1    6   14    5 o   22.008   1.8465   20.872 -36.9000  10.96 -23.38   4.23   4.94 
1 1 1    6   14    6 o   38.245   0.4789   28.263 -72.0000   5.51   1.91  -7.66  -4.60 
1 1 1    6   14    7 o   41.455   0.6097   18.381 -94.6000   4.11  -3.03  -0.62   1.60 
1 1 1    6   14    8 o   6.3620   0.3637   30.918 -139.9000  -0.61   2.03   1.72   1.02 
1 1 1    6   14    9 o   52.912   0.5738   52.186 -126.8000  -4.38   1.63  -2.40   3.34 
1 1 1    6   14   10 o   35.067   0.1968   15.969 -110.5000   0.13   0.56   0.28  -0.04 
1 1 1    6   14   11 o   76.520   1.7554   74.446   27.600  33.08 -11.42  -8.89   7.84 
1 1 1    6   14   12 o   29.106   0.8705   26.610   3.1000  14.15  11.90  -1.20  -8.29 
1 1 1    6   14   13 f   9.4477   0.9434   15.374   12.800  12.77   3.23  -4.63  -2.58 
1 1 1    6   14   14 o   20.160   0.7225   25.841  115.800  -7.74  -5.33  -2.84  -9.14 
1 1 1    6   14   15 o   37.017   0.3120   19.348 -83.0000  -0.55  -0.38  -0.31  -0.34 
1 1 1    6   14   16 o   36.308   1.6379   31.645 -66.1000   6.29  -7.01   0.06   1.40 
1 1 1    6   14   17 o   40.424   0.6456   37.828  124.600  -2.44   0.50  -0.54   0.13 
1 1 1    6   14   18 o   12.571   1.4704   6.5119 -159.7000 -19.10 -23.37   1.77  -9.36 
1 1 1    6   14   19 f   20.983   0.7627   7.4508   58.900  13.00   1.78  -6.01  -1.34 
1 1 1    6   14   20 f   34.855   1.8513   35.048  176.200 -50.41 -16.32 -13.00 -10.14 
1 1 1    6   14   21 f   9.4261   1.0315   0.6933 -80.0000  10.64   7.04  -1.20  -3.03 
1 1 1    6   14   22 o   36.542   0.2247   36.761 -11.5000   0.02  -0.05  -0.01  -0.02 
1 1 1    6   14   23 o   15.200   0.2396   14.069 -72.1000  -0.28  -0.03   0.05  -1.08 
1 1 1    6   14   24 o   10.264   1.1360   22.021 -169.3000 -13.35  -2.63  -3.17  -1.17 
1 1 1    6   14   25 o   7.1312   0.3747   14.305   68.400   0.21   0.21  -0.26  -0.37 
1 1 1    6   14   26 o   16.229   0.4839   17.181 -116.2000   2.77  -6.20   3.17   2.58 
1 1 1    6   14   27 o   10.905   0.3279   6.6627   52.500   2.75  -1.15  -1.06   1.69 
1 1 1    6   14   28 o   20.975   0.2172   16.262 -38.7000  -0.99  -0.03  -0.79  -1.34 
1 1 1    6   14   29 o   17.402   0.3149   11.281  126.200  -0.33   1.10   0.15   0.29 
1 1 1    6   14   30 o   17.412   0.2446   15.865  -8.0000   0.14  -0.36  -0.65  -0.26 
1 1 1    6   14   31 o   12.121   1.1132   14.757 -175.8000 -11.92  15.04   1.81   5.46 
1 1 1    6   14   32 o   12.346   0.3105   9.2283   31.100   0.34   0.51   0.63  -0.01 
1 1 1    6   14   33 o   17.884   0.3199   15.225   78.600  -7.08   4.23 -11.79   8.26 
1 1 1    6   14   34 o   16.866   0.2774   12.025   34.900   0.72  -0.29   1.12   0.35 
1 1 1    6   14   35 o   0.0000   2.3600  ?   ?   -0.62  -0.13  -0.38   0.03 
1 1 1    6   15    0 o   52.006   0.3410   39.665  -0.2000   0.37   0.00   0.00   0.00 
1 1 1    6   15    1 o   25.163   1.9615   27.786 -73.6000 -26.24 -20.55  -2.35  -8.93 
1 1 1    6   15    2 o   23.906   1.2786   13.857   44.400  11.78   3.79  -2.59  -1.77 
1 1 1    6   15    3 f   34.632   1.0468   34.564 -122.7000  -3.65 -12.92   3.36  -1.91 
1 1 1    6   15    4 o   66.910   0.3018   67.547  139.100  -1.84  -0.91  -0.31  -1.78 
1 1 1    6   15    5 o   9.1623   1.2465   5.2975  154.400  -4.22  -7.76   1.19  -1.90 
1 1 1    6   15    6 o   51.882   1.1861   41.748  156.700  -3.15  -0.85  -0.27  -0.13 
1 1 1    6   15    7 o   29.104   0.1815   27.327 -97.8000   2.30  -0.59 -14.68   0.34 
1 1 1    6   15    8 o   38.623   0.4683   43.552   25.300   0.97   2.36   0.66  -0.49 
1 1 1    6   15    9 o   19.211   0.3408   28.358  136.700   7.03  11.47  15.60 -35.88 
1 1 1    6   15   10 o   33.532   0.9330   31.468 -157.9000 -15.82  -6.16  -4.28  -4.18 
1 1 1    6   15   11 o   61.255   0.3484   55.409   74.700  -2.63   1.28  -0.76   0.70 
1 1 1    6   15   12 o   12.361   0.3362   28.793 -120.7000  -0.19   0.08   0.53   2.09 
1 1 1    6   15   13 o   34.802   0.2770   28.839  144.400  -0.28   0.20  -0.93   0.18 
1 1 1    6   15   14 o   58.432   1.0036   52.911   41.100  -2.04   6.65   2.71   3.00 
1 1 1    6   15   15 o   6.4737   2.8028   14.392   24.900   6.53   2.46  -0.59  -0.51 
1 1 1    6   15   16 o   13.622   1.4477   11.853  175.200 -27.49  -6.45  -7.77  -4.01 
1 1 1    6   15   17 o   43.629   0.2369   50.424   90.500   0.33   0.59  -0.02  -0.66 
1 1 1    6   15   18 o   35.833   1.9116   25.922  120.800  -7.46  47.66  10.34   2.93 
1 1 1    6   15   19 o   29.702   1.2145   29.519 -31.7000  19.71  -9.29  -2.97   3.92 
1 1 1    6   15   20 o   42.909   0.7784   44.932 -94.1000 -14.67  -5.28  -5.00  -3.28 
1 1 1    6   15   21 o   20.453   0.3347   22.269  156.100   0.44   1.69   0.79  -0.75 
1 1 1    6   15   22 o   25.987   1.0735   28.244  120.000  -7.25  17.59   2.94   3.33 
1 1 1    6   15   23 o   26.023   0.2106   21.182  104.900   0.97   1.27  -0.11  -1.00 
1 1 1    6   15   24 o   20.326   0.7944   18.675   62.200   0.32   7.97   1.55  -0.27 
1 1 1    6   15   25 f   21.311   1.1558   22.402  146.500 -12.31   5.72  -1.42   1.46 
1 1 1    6   15   26 o   24.131   0.2145   18.803  10.0000   0.25  -0.08   0.31  -0.00 
1 1 1    6   15   27 o   6.1286   0.5246   10.357 -57.5000   0.42  -1.00   0.32   0.21 
1 1 1    6   15   28 o   16.291   0.3777   15.082  131.400  -0.57   1.98   0.46   0.76 
1 1 1    6   15   29 o   17.591   1.8140   17.372 -146.1000 -34.53 -20.83  -4.13  -6.77 
1 1 1    6   15   30 o   21.615   0.2213   24.001 -165.9000  -0.13  -0.81   0.44   0.83 
1 1 1    6   15   31 o   10.479   0.6051   7.9420   76.800  -1.88   1.13  -0.09   0.32 
1 1 1    6   15   32 o   22.213   0.2217   19.689 -103.7000   0.55  -0.63  -0.31   0.30 
1 1 1    6   15   33 o   13.197   0.3135   15.095  135.400  -0.15   0.05   0.08  -0.05 
1 1 1    6   15   34 o   10.379   0.4027   12.198 -78.0000   0.46  -0.35  -0.58  -0.85 
1 1 1    6   15   35 o   10.444   0.4148   9.3611  139.100  -1.79  -2.85  -0.18  -1.84 
1 1 1    6   16    0 o   67.391   0.4217   48.755  179.200   0.00   0.00   0.00   0.00 
1 1 1    6   16    1 o  129.267   1.1798  125.560  172.200  -2.20   4.99   4.88   0.53 
1 1 1    6   16    2 o   30.335   0.5199   30.447 -44.6000  -1.11  -6.62   5.25  -1.19 
1 1 1    6   16    3 o   69.703   0.3080   64.757 -85.5000   0.15  -0.33  -0.00   0.11 
1 1 1    6   16    4 o   14.827   0.7900   17.984 -145.5000  -5.51  -3.57  -1.29  -2.59 
1 1 1    6   16    5 o   27.057   0.5607   18.474   17.400   6.38  -1.23  -2.34   0.82 
1 1 1    6   16    6 o   0.0000   2.1498  ?   ?    0.00   0.00   0.00   0.00 
1 1 1    6   16    7 o   30.738   0.2608   26.169 -175.1000  -0.50   4.16  10.35   0.82 
1 1 1    6   16    8 o   54.411   1.0182   42.980   25.700   3.86   8.69   1.25  -1.56 
1 1 1    6   16    9 o   13.170   1.6311   10.149 -37.4000   7.71 -18.84   4.08   4.14 
1 1 1    6   16   10 o   12.069   1.3566   16.142   83.300   3.74   4.55   0.19  -0.85 
1 1 1    6   16   11 o   39.866   1.0330   35.750   75.500  10.21   4.61  -3.20  -3.10 
1 1 1    6   16   12 o   61.661   0.8572   60.605 -152.6000  -5.90  -1.06  -2.41  -0.28 
1 1 1    6   16   13 o   10.946   0.4619   3.5453 -178.0000   0.10   1.37   0.80  -0.23 
1 1 1    6   16   14 o   47.905   1.3797   33.270   48.300  19.75   3.65  -6.96  -1.96 
1 1 1    6   16   15 o   23.189   0.5676   15.933   89.800   1.99   5.21   1.05  -1.05 
1 1 1    6   16   16 f   39.343   0.8045   23.251  133.200 -14.79  -6.42  -7.07  -6.40 
1 1 1    6   16   17 o   21.765   0.2330   34.341  100.200  -0.29  -0.05  -0.06  -0.04 
1 1 1    6   16   18 o   11.207   1.8591   14.818 -70.4000 -25.59 -47.57   7.49 -11.66 
1 1 1    6   16   19 o   25.186   0.5495   31.034 -11.9000  -0.93  -2.39   0.85  -0.56 
1 1 1    6   16   20 o   16.836   1.1880   17.587 -162.3000 -16.73  -8.15  -3.37  -4.73 
1 1 1    6   16   21 o   33.390   0.8476   26.764   5.8000   3.86  10.89   5.31  -2.98 
1 1 1    6   16   22 o   20.180   0.2152   30.882  108.200  -0.93   0.56  -1.34   0.78 
1 1 1    6   16   23 o   10.961   0.3899   8.4309  145.700  -2.74   0.03  -1.29  -0.18 
1 1 1    6   16   24 o   26.994   1.2503   14.530 -94.8000 -32.64  -9.87 -10.02  -5.48 
1 1 1    6   16   25 o   3.2552   0.7511   8.1139 -92.4000  -0.18  -0.48   0.07  -0.09 
1 1 1    6   16   26 o   15.524   0.7774   17.730  141.800 -10.76  -3.00  -2.78  -2.11 
1 1 1    6   16   27 o   20.061   0.5113   21.121 -31.5000   2.81  -8.65   4.57   1.56 
1 1 1    6   16   28 o   4.9722   1.2323   2.8317 -163.6000  -3.47  -0.54  -0.58  -0.25 
1 1 1    6   16   29 o   5.6836   0.5390   2.1457 -54.3000  -0.24  -0.99   0.56  -0.85 
1 1 1    6   16   30 o   14.950   0.3661   13.743 -36.9000   7.29   1.29  -4.98  -3.77 
1 1 1    6   16   31 o   11.520   0.6546   7.7422 -127.2000   5.40  -4.85  -0.85   2.61 
1 1 1    6   16   32 o   7.1960   0.4982   10.123  141.300  -0.57  -0.32   0.03  -0.29 
1 1 1    6   16   33 o   3.1706   1.4972   3.5481   87.000  -1.58   1.49  -0.20   0.64 
1 1 1    6   16   34 o   11.246   0.3806   8.0361   77.100   0.03   1.20   0.26  -0.24 
1 1 1    6   17    0 o   24.056   0.2733   8.1657  175.100   0.21   0.00   0.00   0.00 
1 1 1    6   17    1 f   7.1047   1.5595   12.412  137.400  12.12  10.57  -0.62  -4.84 
1 1 1    6   17    2 o   22.362   1.2286   13.941 -123.5000   4.56 -31.61  11.50   3.60 
1 1 1    6   17    3 o   28.975   0.4138   23.267 -118.6000  -3.56  -2.03  -0.84  -1.67 
1 1 1    6   17    4 o   34.884   0.3102   29.024  155.000  -0.07  -0.04  -0.00  -0.00 
1 1 1    6   17    5 o   11.514   0.5812   11.458  109.200   0.42   4.98   1.99  -0.39 
1 1 1    6   17    6 o   23.512   0.9243   25.616  120.200  -1.70   7.41   1.91   1.04 
1 1 1    6   17    7 o   17.291   1.8881   12.558   50.200   8.52   9.69   0.26  -1.79 
1 1 1    6   17    8 o   46.981   0.4239   43.536   4.4000   0.37   1.90   1.87  -0.05 
1 1 1    6   17    9 o   40.312   0.4205   30.833 -73.9000   3.44  -0.13  -1.76   0.46 
1 1 1    6   17   10 o   21.677   1.3225   15.931  120.300   7.22   7.10  -0.18  -2.53 
1 1 1    6   17   11 o   35.192   0.9253   41.406   30.700   8.24   2.09  -2.67  -1.84 
1 1 1    6   17   12 o   46.001   0.6368   53.925 -146.4000   1.55  -3.76   0.97   1.53 
1 1 1    6   17   13 o   21.440   0.2054   21.439   62.200  -0.06  -0.36   0.18  -0.01 
1 1 1    6   17   14 f   72.219   0.9885   60.694   20.900   5.71  14.85   5.31  -3.50 
1 1 1    6   17   15 f   18.961   0.2070   23.454   28.700   0.02   0.53   0.89   0.42 
1 1 1    6   17   16 o   27.652   0.8577   36.095 -173.3000  -7.79  -7.92   0.26  -3.19 
1 1 1    6   17   17 o   35.164   0.2235   32.056   79.400  -1.09   0.53  -0.57   0.32 
1 1 1    6   17   18 o   34.295   0.6343   23.683 -29.3000  12.05   1.57  -5.01  -1.93 
1 1 1    6   17   19 o   6.7478   0.9806   9.1700 -110.0000  -5.02  -2.25  -0.76  -0.92 
1 1 1    6   17   20 o   6.8496   0.4284   6.9594   55.000   0.02  -0.19   0.02   0.01 
1 1 1    6   17   21 o   10.807   0.9391   16.196 -30.3000   4.59  -9.93   1.78   1.91 
1 1 1    6   17   22 o   7.2719   0.6351   9.6779   0.3000   3.22  -3.28   0.17   1.55 
1 1 1    6   17   23 o   15.988   0.2759   15.791  109.400   2.65  -0.52  -1.90   0.18 
1 1 1    6   17   24 o   12.590   0.9449   11.301 -170.9000   6.24 -17.51   5.57   5.39 
1 1 1    6   17   25 o   13.879   0.6209   5.5441 -168.4000  -3.15  -0.90  -0.31  -0.25 
1 1 1    6   17   26 o   35.541   0.6320   40.989   35.800   5.99  -4.77  -1.50   2.48 
1 1 1    6   17   27 o   8.9241   0.3691   15.826   69.500   1.61   0.26  -1.24   0.24 
1 1 1    6   17   28 f   8.6646   0.5613   12.884   66.900  -0.57   4.62   1.82   0.84 
1 1 1    6   17   29 o   17.078   0.9407   11.002  174.700  -8.55   0.15  -1.10   0.17 
1 1 1    6   17   30 o   18.315   0.7602   12.911  125.200  -0.41   9.30   2.53  -0.31 
1 1 1    6   17   31 o   21.127   0.2423   16.051  121.800   2.35   4.47   0.43  -4.35 
1 1 1    6   17   32 o   7.1490   0.5360   9.6968  171.700  -0.17  -0.33  -0.01  -0.09 
1 1 1    6   17   33 o   1.1139   1.1683   0.9746  166.400  -0.08   0.07  -0.06  -0.01 
1 1 1    6   18    0 f   24.191   0.4045   1.0264 -177.9000   0.20   0.00   0.00   0.00 
1 1 1    6   18    1 o   8.8695   0.8170   17.595  161.400   0.28  -3.37   0.99   0.20 
1 1 1    6   18    2 o   34.540   0.3096   17.631 -99.3000  -0.43  -0.09  -0.05  -0.01 
1 1 1    6   18    3 o   14.985   0.5295   17.120 -108.5000  -4.21   1.87  -2.39   2.30 
1 1 1    6   18    4 o   26.977   1.5671   31.948 -172.3000 -13.04   3.26  -2.71   1.32 
1 1 1    6   18    5 o   36.683   0.5633   27.185   5.2000   0.93   0.82   0.01  -0.27 
1 1 1    6   18    6 o   50.821   0.3059   37.704 -62.8000  -0.02  -0.39  -0.17  -0.54 
1 1 1    6   18    7 o   23.972   1.4080   23.467 -18.1000  11.73  -5.31  -1.94   2.45 
1 1 1    6   18    8 o   17.307   0.3159   22.124   78.300   0.30   0.61   0.06  -0.12 
1 1 1    6   18    9 o   0.0000   2.3979  ?   ?    0.02  -0.00   0.00   0.00 
1 1 1    6   18   10 f   0.0000   2.2238  ?   ?   -0.18  -0.20   0.01  -0.14 
1 1 1    6   18   11 f   55.248   0.2780   48.596   52.100   0.62  -0.56   2.74   0.40 
1 1 1    6   18   12 o   78.562   0.5703   61.160 -123.3000  -6.95  -2.15  -1.81  -0.73 
1 1 1    6   18   13 o   42.789   0.2384   41.822 -115.9000   0.22  -0.99  -3.94   4.38 
1 1 1    6   18   14 o   76.328   1.0833   58.439   29.400  17.71   6.11  -6.61  -3.27 
1 1 1    6   18   15 o   13.718   0.3217   20.680   63.200  -0.31   1.71   0.43   0.21 
1 1 1    6   18   16 o   18.892   1.2294   24.213  131.900 -26.28  14.03  -4.02   6.42 
1 1 1    6   18   17 o   15.203   0.2317   15.616 -16.9000   0.20   0.06  -0.27   0.07 
1 1 1    6   18   18 o   25.195   0.2043   17.754  146.400   0.09   0.34   0.00  -0.39 
1 1 1    6   18   19 f   9.1607   1.3037   16.060 -14.0000  11.31 -14.54   1.07   4.91 
1 1 1    6   18   20 o   19.404   0.9996   23.867 -77.5000   3.82 -18.39   4.90   2.60 
1 1 1    6   18   21 o   17.611   0.5216   15.311   7.8000  -0.17   5.24   3.73   1.08 
1 1 1    6   18   22 o   16.464   0.2608   19.106  136.300  -0.20   0.19  -0.02   0.04 
1 1 1    6   18   23 o   33.042   0.7134   33.925  130.400  -6.05   7.87   1.38   2.58 
1 1 1    6   18   24 o   42.450   1.0426   30.795 -34.6000  24.74   7.80  -5.73  -6.03 
1 1 1    6   18   25 o   15.177   0.3701   11.952 -169.1000  -2.60   3.68   2.44   2.40 
1 1 1    6   18   26 o   23.755   0.2285   23.635  135.500  -2.93  -0.48  -0.64  -3.59 
1 1 1    6   18   27 o   15.258   0.2690   19.128 -10.8000   0.50  -1.34   0.18   0.40 
1 1 1    6   18   28 o   22.445   0.4002   24.070   73.400   4.93   3.95  -1.61  -2.46 
1 1 1    6   18   29 o   5.8932   0.5919   7.4212   65.300   0.18   0.01  -0.01   0.01 
1 1 1    6   18   30 o   6.9840   0.5666   7.9981 -68.4000   1.33   0.06  -0.73  -0.61 
1 1 1    6   18   31 f   11.357   0.6308   11.274   12.300   0.99   4.19   1.00  -0.94 
1 1 1    6   18   32 o   10.042   0.9101   7.1833 -142.6000  -5.35  -0.67  -0.86  -0.42 
1 1 1    6   18   33 o   0.0000   2.4159  ?   ?   -0.05   0.88   0.16   0.05 
1 1 1    6   19    0 o   21.057   0.3526   24.463  179.600   0.23   0.00   0.00   0.00 
1 1 1    6   19    1 o   28.564   1.5276   32.320  176.800 -10.32  -4.72  -1.36  -1.77 
1 1 1    6   19    2 o   10.911   1.7329   21.227 -49.4000   8.54  -8.40  -0.14   3.09 
1 1 1    6   19    3 f   5.6294   0.7606   11.393   14.900   1.77  -1.68   0.05   1.71 
1 1 1    6   19    4 o   24.219   0.2316   29.669 -157.2000  -0.08   0.90   0.30  -0.01 
1 1 1    6   19    5 f   0.0000   2.4999  ?   ?    0.00   0.00   0.00   0.00 
1 1 1    6   19    6 o   18.858   0.4981   11.462 -106.3000  -1.46  -1.44  -0.04  -0.41 
1 1 1    6   19    7 o   39.729   0.6702   33.687 -12.7000   1.81  -7.89   1.57   0.62 
1 1 1    6   19    8 o   29.558   1.3170   22.150 -70.2000  26.93   3.40  -8.53  -2.54 
1 1 1    6   19    9 o   29.696   1.7997   18.965   95.200 -15.12  29.79   4.06   5.89 
1 1 1    6   19   10 o   16.066   1.1460   23.691 -104.4000   7.29 -12.20   1.46   2.93 
1 1 1    6   19   11 o   34.118   1.1736   23.589 -38.4000  14.50  -2.97  -3.64   1.26 
1 1 1    6   19   12 o   39.173   0.4478   38.124 -138.8000  -2.52  -4.50   0.45  -1.00 
1 1 1    6   19   13 o   33.117   0.3551   22.361   24.700   7.60  -1.31  -1.50   0.70 
1 1 1    6   19   14 o   5.2228   0.5210   5.6114   52.400  -0.94  -0.72  -1.14  -2.11 
1 1 1    6   19   15 o   16.338   0.2534   10.617  115.700  -1.93  -0.55  -1.26  -0.43 
1 1 1    6   19   16 o   38.011   0.5731   38.043  142.300   2.03   8.26   2.39  -1.87 
1 1 1    6   19   17 o   8.3172   1.2420   11.747  169.600 -12.09  -6.84  -1.94  -2.97 
1 1 1    6   19   18 o   4.8920   0.7054   15.872 -60.0000   1.55   0.94  -0.13  -0.31 
1 1 1    6   19   19 o   14.013   0.7095   7.2344  166.200  -9.35   9.90   0.90   6.01 
1 1 1    6   19   20 o   31.882   0.3353   31.670  113.100   2.23   3.53   0.16  -1.26 
1 1 1    6   19   21 o   17.520   0.5117   18.842 -108.7000   2.32  -6.05   1.82   1.20 
1 1 1    6   19   22 o   13.277   0.5076   6.1674   8.6000  -2.22   6.71   2.62   2.79 
1 1 1    6   19   23 o   14.739   1.0247   14.085  133.300 -14.69   5.15  -2.38   2.23 
1 1 1    6   19   24 o   11.669   0.3100   12.623  176.100  -0.60   0.27   1.45  -1.40 
1 1 1    6   19   25 f   19.338   0.2367   17.584 -173.5000  -0.61   2.91   1.97  -0.50 
1 1 1    6   19   26 o   26.770   0.2759   24.341   42.800   1.43  -1.02   0.27   0.61 
1 1 1    6   19   27 o   11.804   0.4547   5.6400  132.400  -3.26   1.47  -0.91   0.61 
1 1 1    6   19   28 o   11.150   0.3790   10.662   24.800   1.20  -0.19  -0.19   1.60 
1 1 1    6   19   29 o   12.097   0.8896   12.688 -130.7000  -6.91  -0.63  -1.39  -0.02 
1 1 1    6   19   30 f   6.9275   0.5409   8.0083  116.700  -0.84  -0.63   0.58  -0.82 
1 1 1    6   19   31 f   10.229   0.4455   12.629 -159.2000  -1.58  -0.75  -0.08  -0.52 
1 1 1    6   19   32 o   11.671   0.7433   12.259   76.400   1.69   1.79   0.13  -0.27 
1 1 1    6   20    0 o   14.381   0.3859   27.528  179.800   0.08   0.00   0.00   0.00 
1 1 1    6   20    1 f   35.908   0.3215   27.793 -69.9000   1.60  -0.58  -1.66   0.61 
1 1 1    6   20    2 o   20.683   0.2183   22.257 -92.7000  -0.92  -0.27  -4.88   0.09 
1 1 1    6   20    3 o   24.339   1.5228   20.037  153.000 -35.41  19.23  -8.09  11.73 
1 1 1    6   20    4 o   23.320   0.2157   25.819  148.400  -0.04   0.23   0.56  -0.86 
1 1 1    6   20    5 o   12.439   0.9365   20.405 -107.8000 -12.65  -6.55  -2.60  -3.49 
1 1 1    6   20    6 o   24.693   1.1453   1.3616   38.000   5.04  18.26   4.86  -2.66 
1 1 1    6   20    7 o   18.517   0.8826   19.574  -9.0000   6.15  -3.61  -0.79   1.26 
1 1 1    6   20    8 o   44.746   0.3307   53.286   77.300   0.06   0.16  -0.13   0.14 
1 1 1    6   20    9 o   25.367   0.4386   25.249  174.800  -2.53  -0.73  -0.99  -0.89 
1 1 1    6   20   10 o   9.7393   0.6912   22.190 -71.4000  -8.19  -6.56  -0.97  -5.79 
1 1 1    6   20   11 o   17.878   0.2751   18.816   65.300  -0.94   1.99   1.10   2.24 
1 1 1    6   20   12 o   28.231   0.3571   21.212   62.600  -6.65  -2.94  -1.16  -1.07 
1 1 1    6   20   13 o   38.884   1.1223   37.303 -164.0000 -21.85   3.09  -3.76   1.45 
1 1 1    6   20   14 o   19.105   0.2226   23.355 -22.7000   0.88   0.73  -0.90  -1.14 
1 1 1    6   20   15 o   17.693   0.9259   21.033   82.200  -8.95  17.38   4.30   7.06 
1 1 1    6   20   16 o   23.391   0.2116   10.982   62.700   1.39  -1.19  -2.34   2.30 
1 1 1    6   20   17 o   10.626   0.3410   12.169   34.600  -1.18   2.57   0.64   1.10 
1 1 1    6   20   18 o   17.168   0.2380   18.632 -159.2000  -1.89   0.50  -0.71   0.18 
1 1 1    6   20   19 o   16.493   0.9910   12.287 -170.5000 -18.35  12.79  -2.10   7.63 
1 1 1    6   20   20 o   31.433   0.3355   23.761   12.200   3.65   2.51  -0.86  -0.98 
1 1 1    6   20   21 o   24.192   0.7263   24.609   37.900   9.70  -4.58  -1.44   2.52 
1 1 1    6   20   22 o   21.396   1.0537   14.928 -152.6000 -14.64  -5.66  -1.71  -1.87 
1 1 1    6   20   23 o   17.219   0.2582   23.728  124.900  -0.55   0.66   0.31   0.16 
1 1 1    6   20   24 o   12.563   0.5178   10.439 -49.0000   1.78  -0.38  -0.27   0.05 
1 1 1    6   20   25 o   7.1516   0.4877   7.2744   76.500  -0.62   0.34  -0.21   0.12 
1 1 1    6   20   26 o   16.973   0.2677   17.229 -162.8000  -0.72  -0.43   0.01  -0.16 
1 1 1    6   20   27 o   6.5530   0.7924   4.5942 -100.3000  -0.59  -1.17   0.06  -0.14 
1 1 1    6   20   28 f   8.3968   0.4759   4.1002   7.8000   0.23   0.14   0.08  -0.09 
1 1 1    6   20   29 o   2.8415   1.3365   5.5645   41.500   0.22  -0.26   0.04   0.05 
1 1 1    6   20   30 o   7.7347   0.5636   8.0973 -174.9000   0.24  -0.52  -0.44  -0.72 
1 1 1    6   20   31 o   0.0000   2.6319  ?   ?   -0.24  -0.21   0.16  -0.18 
1 1 1    6   21    0 o   15.434   0.3391   25.104 -179.6000   0.07   0.00   0.00   0.00 
1 1 1    6   21    1 o   14.069   1.4380   22.040 -123.1000  10.97 -27.83   7.70   7.59 
1 1 1    6   21    2 o   34.261   0.2186   39.462 -138.7000  -3.37   1.15  -1.42   1.82 
1 1 1    6   21    3 o   27.720   0.8832   29.440 -123.0000  10.91 -20.46   4.48   5.96 
1 1 1    6   21    4 o   12.801   0.8297   29.724  149.000 -13.42  -3.13  -5.75  -3.16 
1 1 1    6   21    5 o   7.6453   1.0760   18.150 -74.3000   2.67  -5.74   0.86   1.09 
1 1 1    6   21    6 o   5.8429   1.7938   3.5331  148.300   3.49   0.19  -0.30  -0.03 
1 1 1    6   21    7 o   29.284   0.2137   32.134 -136.6000  -1.30   1.63   2.84   2.98 
1 1 1    6   21    8 o   17.725   0.2255   9.2178  144.100  -0.36   0.12  -0.06   0.07 
1 1 1    6   21    9 o   54.318   0.6269   54.125  113.500  -0.93   1.22  -2.49   1.19 
1 1 1    6   21   10 o   13.677   0.2594   4.4248 -102.7000  -0.69  -0.51   0.32  -1.44 
1 1 1    6   21   11 o   10.979   0.3172   8.3902  178.400  -1.19   3.82   2.06   1.08 
1 1 1    6   21   12 f   12.396   0.8649   12.516  135.100 -10.38   4.72  -3.65   3.64 
1 1 1    6   21   13 o   5.6058   0.5285   14.434  132.200   0.91   0.25  -0.27  -0.11 
1 1 1    6   21   14 o   16.517   0.2433   15.558 -179.5000  -0.41   0.05  -0.05   0.99 
1 1 1    6   21   15 o   21.132   0.2246   21.499   88.900   0.06   0.13  -0.07  -0.04 
1 1 1    6   21   16 o   31.558   0.2183   27.793   57.100   0.02   0.94  -0.67   1.81 
1 1 1    6   21   17 o   5.1291   0.9741   12.171   77.500  -1.63   2.03   0.05   0.45 
1 1 1    6   21   18 o   9.0223   0.3868   9.1855   44.700  -0.38  -0.04  -0.02  -0.01 
1 1 1    6   21   19 o   12.566   1.1194   16.930   95.000  -0.35  17.60   4.71  -0.18 
1 1 1    6   21   20 o   14.214   0.4022   14.834 -130.2000   1.12  -3.97   0.84   0.76 
1 1 1    6   21   21 o   3.8761   0.7214   2.4789 -141.7000   0.15   0.13   0.45   0.56 
1 1 1    6   21   22 o   24.333   0.8937   15.947 -82.4000  -4.36 -17.08   4.27  -3.91 
1 1 1    6   21   23 o   12.566   0.3097   19.101   78.300   0.72  -0.11  -0.35  -0.21 
1 1 1    6   21   24 o   12.697   0.8686   15.497 -113.6000  -0.14  -5.05   0.68   0.07 
1 1 1    6   21   25 o   16.738   0.3571   15.444 -166.4000  -0.52   1.91   0.29   0.04 
1 1 1    6   21   26 o   12.400   0.5336   9.8852   8.1000   1.59   2.45   0.37  -0.44 
1 1 1    6   21   27 o   12.411   0.6572   11.379   60.500   0.47   5.41   1.21   0.06 
1 1 1    6   21   28 f   9.7497   0.4944   3.0966   14.900   1.29   1.05   0.04  -0.26 
1 1 1    6   21   29 o   3.0172   1.0294   0.9328   8.1000  -0.18  -0.41  -0.17  -0.28 
1 1 1    6   21   30 o   6.4129   0.7512   4.7470 -97.3000  -0.46  -0.44  -0.04  -0.05 
1 1 1    6   22    0 o   18.111   0.3414   18.519  179.900  -0.24   0.00   0.00   0.00 
1 1 1    6   22    1 o   9.3382   1.5017   14.149 -116.0000 -19.43  18.30  -0.26   7.60 
1 1 1    6   22    2 o   10.654   0.9291   6.8326 -156.6000   1.11  -7.39   1.34   0.48 
1 1 1    6   22    3 o   25.411   1.3452   20.564  157.100 -26.89 -23.70  -0.90 -11.43 
1 1 1    6   22    4 o   15.905   0.2594   17.355  158.300   4.70  10.72   6.32  -8.34 
1 1 1    6   22    5 o   14.202   0.3852   9.9340 -29.0000   3.90   2.47  -0.82  -2.35 
1 1 1    6   22    6 f   34.732   0.6042   40.623  120.000  -5.84   2.28  -2.07   1.18 
1 1 1    6   22    7 o   27.318   1.3278   16.211 -11.4000  25.75  -8.28  -7.00   4.27 
1 1 1    6   22    8 o   38.307   0.7077   30.067  134.600 -12.05   0.98  -4.11   1.45 
1 1 1    6   22    9 o   12.482   0.6730   4.7825  154.300 -10.77  -2.71  -5.54  -3.61 
1 1 1    6   22   10 o   9.8898   0.3378   13.734 -147.3000  -0.58  -0.65   0.42  -0.75 
1 1 1    6   22   11 o   11.898   0.3142   7.8551 -171.1000  -0.24  -1.99   0.76  -0.35 
1 1 1    6   22   12 o   17.857   1.0004   23.130   83.600   2.99  18.02   4.98  -1.34 
1 1 1    6   22   13 o   9.0733   0.3907   5.8218 -134.4000   0.97  -1.87   0.40   1.01 
1 1 1    6   22   14 o   11.029   0.6799   10.630  160.500  -5.21   2.25  -1.05   0.91 
1 1 1    6   22   15 o   15.047   0.9776   8.8233 -57.7000 -15.47 -10.28  -1.71  -5.26 
1 1 1    6   22   16 o   20.208   0.3124   20.666   69.300  -0.29   3.15   1.34   0.78 
1 1 1    6   22   17 o   6.2930   0.5194   6.6212   57.500  -0.02   0.32   0.11  -0.05 
1 1 1    6   22   18 f   12.443   0.3093   8.4732 -83.3000  -0.45  -2.63   1.74  -1.66 
1 1 1    6   22   19 o   17.499   0.3088   13.768 -96.5000   0.11  -2.00   1.10  -0.42 
1 1 1    6   22   20 o   14.027   0.2828   12.369   24.400   1.17  -0.84   1.46   1.20 
1 1 1    6   22   21 o   12.856   0.2949   14.724   57.700  -0.61   1.85   0.16   3.03 
1 1 1    6   22   22 o   10.378   0.7094   14.443 -59.8000   3.61   1.72  -0.47  -0.93 
1 1 1    6   22   23 o   2.9782   0.9004   1.3395   71.700   0.11  -0.10  -0.01   0.01 
1 1 1    6   22   24 o   9.1783   0.5393   7.3680   7.8000   1.97   0.59  -0.35  -0.52 
1 1 1    6   22   25 o   10.364   0.4023   10.138  118.800  -0.49   0.52  -0.06   0.12 
1 1 1    6   22   26 o   13.857   0.4504   15.854  125.900  -1.82   0.47  -0.40   0.00 
1 1 1    6   22   27 o   10.216   0.4134   11.749 -83.3000   0.13  -0.11  -0.03  -0.00 
1 1 1    6   22   28 o   4.5277   0.7855   6.4337 -60.6000  -0.03   0.11  -0.04  -0.00 
1 1 1    6   22   29 f   4.8499   0.8484   7.9902   9.0000   0.18  -0.03  -0.01  -0.01 
1 1 1    6   23    0 o   3.2404   1.1087   1.2821 -163.6000  -0.00   0.00   0.00   0.00 
1 1 1    6   23    1 o   13.854   1.5684   12.368 -57.7000  17.89 -26.69   3.28   8.93 
1 1 1    6   23    2 o   19.760   0.3578   15.405 -101.8000   0.75  -0.83  -0.08   0.39 
1 1 1    6   23    3 o   16.752   0.5357   21.840 -96.8000   7.95  -7.53   0.12   3.78 
1 1 1    6   23    4 o   27.561   0.6588   20.900   32.000  12.58   1.25  -2.49  -0.27 
1 1 1    6   23    5 o   13.752   0.2687   15.343 -107.1000   0.46   0.75   0.05  -0.45 
1 1 1    6   23    6 f   9.2283   0.5868   1.3174 -128.2000  -0.72  -2.49   0.43  -0.35 
1 1 1    6   23    7 o   20.008   0.3878   31.711 -128.7000  -6.43   1.81  -3.82   3.69 
1 1 1    6   23    8 f   24.992   0.2467   15.970   61.700   3.40  -1.22  -1.52   2.76 
1 1 1    6   23    9 o   15.032   0.4533   11.651  130.300  -2.98   4.01   0.22   1.61 
1 1 1    6   23   10 o   2.7699   0.9438   2.6124   92.800  -0.42   0.07  -0.08   0.01 
1 1 1    6   23   11 o   5.7199   0.5328   4.6733 -154.7000  -0.21  -0.35   0.05  -0.05 
1 1 1    6   23   12 o   16.386   0.2452   9.0558  122.900   1.67   1.27  -1.77  -1.65 
1 1 1    6   23   13 o   6.4523   0.7820   6.4926 -20.4000   1.79  -3.07   0.34   0.82 
1 1 1    6   23   14 o   32.727   0.2420   33.221 -160.1000  -1.12  -0.43  -0.44   1.50 
1 1 1    6   23   15 o   3.2813   0.8593   6.8566   4.5000   0.30   0.30   0.14  -0.21 
1 1 1    6   23   16 o   11.120   0.8218   7.5111  -3.8000   6.17  -9.55   2.22   3.58 
1 1 1    6   23   17 o   7.7798   1.0158   11.262  -5.2000   5.00  -0.63  -0.83   0.32 
1 1 1    6   23   18 o   8.4814   0.4026   8.8079 -35.9000  -0.18   0.44   0.23  -0.05 
1 1 1    6   23   19 f   5.9329   1.6142   8.4797 -141.7000  -2.53  -5.58   0.84  -0.76 
1 1 1    6   23   20 o   2.0960   1.0817   6.1232 -90.6000  -0.25   0.35   0.06   0.07 
1 1 1    6   23   21 o   5.9176   1.3380   6.4135 -64.5000  -1.01  -6.10   1.29  -0.66 
1 1 1    6   23   22 o   6.6142   0.8198   2.4086  130.200   0.75   2.64   0.62  -0.18 
1 1 1    6   23   23 o   8.2762   0.4984   10.111  133.500  -0.05  -0.24   0.05   0.06 
1 1 1    6   23   24 f   6.2932   0.6616   10.525 -170.2000  -0.56   0.59   0.41   0.26 
1 1 1    6   23   25 o   6.6283   0.6151   5.4761 -113.8000  -0.91  -0.37   0.03  -0.49 
1 1 1    6   23   26 f   2.4491   1.2223   3.0769 -15.9000   0.10  -0.80   0.16   0.17 
1 1 1    6   23   27 o   1.7482   1.2994   6.0531   52.100  -0.18   0.21  -0.00   0.01 
1 1 1    6   24    0 o   4.3243   0.8701   17.954  -0.1000  -0.00   0.00   0.00   0.00 
1 1 1    6   24    1 f   0.0000   2.2804  ?   ?    0.34  -0.88   0.16   0.18 
1 1 1    6   24    2 f   14.667   1.3625   19.321 -18.3000  19.71  15.50  -1.30  -7.11 
1 1 1    6   24    3 o   8.2093   0.8865   12.168  118.600  -6.41   0.24  -1.81  -0.05 
1 1 1    6   24    4 f   9.6677   0.3733   11.256 -49.7000  -0.01  -0.12   0.01  -0.01 
1 1 1    6   24    5 o   13.325   0.3325   23.049  -5.1000   2.34  -5.34   3.78   2.56 
1 1 1    6   24    6 o   23.363   0.5795   20.495   78.300   8.79  -0.87  -3.42   1.48 
1 1 1    6   24    7 o   5.8728   1.1053   7.4067 -151.2000  -5.12   1.55  -0.97   0.77 
1 1 1    6   24    8 o   1.5058   1.0987   10.688 -65.5000  -1.19   0.21  -0.52   0.32 
1 1 1    6   24    9 f   9.3694   0.8608   13.738   74.000  11.24   7.50  -3.37  -6.00 
1 1 1    6   24   10 o   19.190   0.2486   19.437   92.900   0.19  -0.17  -0.01   0.01 
1 1 1    6   24   11 o   16.175   0.2780   21.121 -125.9000   4.77  -1.05  -7.01  -0.13 
1 1 1    6   24   12 o   1.7098   1.1947   3.4371   37.200   0.78  -0.64  -0.01   0.25 
1 1 1    6   24   13 o   9.9023   0.3500   11.051 -32.3000   0.44   0.46   1.04  -0.39 
1 1 1    6   24   14 o   15.217   0.2605   10.616   73.200  -0.77  -0.55   1.33   4.44 
1 1 1    6   24   15 o   11.558   0.3354   10.829 -27.4000   1.24   1.08  -0.50  -0.75 
1 1 1    6   24   16 o   6.0673   1.8721   3.2145   56.600  -3.48   1.07  -0.25   0.21 
1 1 1    6   24   17 o   15.425   0.4300   9.5837 -50.9000   5.10  -4.85  -0.96   2.45 
1 1 1    6   24   18 o   11.150   0.8966   9.3457  107.800  -4.24   2.51  -0.26   0.75 
1 1 1    6   24   19 f   24.482   0.2561   19.435 -40.0000   1.06  -0.39   0.25   0.52 
1 1 1    6   24   20 o   19.485   0.3677   17.913  142.400  -4.02  -0.86  -1.39  -2.35 
1 1 1    6   24   21 o   3.2247   0.9097   4.1946  166.600  -0.12   0.22   0.11  -0.02 
1 1 1    6   24   22 o   6.2327   0.6092   6.3133 -16.7000  -0.22  -0.09  -0.01   0.16 
1 1 1    6   24   23 o   11.338   0.6815   14.928 -47.9000   1.45  -3.80   0.55   1.06 
1 1 1    6   24   24 o   11.491   0.4071   9.9165 -34.5000   0.93   0.33   0.01  -0.31 
1 1 1    6   24   25 o   9.0699   0.5132   9.6358 -178.2000  -0.49  -0.20  -0.05  -0.00 
1 1 1    6   24   26 o   7.4413   0.6586   8.5386  114.800   0.43   0.60  -0.16  -0.11 
1 1 1    6   25    0 o   7.2870   0.7323   2.4955  179.400   0.23   0.00   0.00   0.00 
1 1 1    6   25    1 f   5.0628   0.5830   2.2238 -154.0000  -0.13   1.61   0.43  -0.02 
1 1 1    6   25    2 o   10.089   0.3713   11.480 -31.4000   0.63   0.16  -0.16  -0.31 
1 1 1    6   25    3 o   9.4448   0.5046   3.6655   44.500  -0.44   2.04   0.47   0.37 
1 1 1    6   25    4 o   5.4469   0.5639   3.1687 -121.9000  -0.16  -0.10  -0.23   0.07 
1 1 1    6   25    5 o   13.392   0.3150   21.764 -67.7000   0.59  -0.74   0.08   0.13 
1 1 1    6   25    6 o   10.326   0.6165   12.754 -60.1000   5.50  -1.44  -2.35   0.75 
1 1 1    6   25    7 o   4.6293   0.6680   11.520 -132.9000  -1.70   0.01  -0.78   0.24 
1 1 1    6   25    8 o   11.723   0.3652   14.761  145.800  -0.52  -0.19  -0.37   0.10 
1 1 1    6   25    9 o   8.1281   0.4715   3.1603   59.500   0.30   0.34   0.88   0.29 
1 1 1    6   25   10 o   3.3779   1.5886   6.1136   89.300  -1.73  -1.02  -0.28  -0.37 
1 1 1    6   25   11 o   6.2119   1.5896   3.8544   87.600  -3.17   4.81   0.31   0.99 
1 1 1    6   25   12 o   3.8331   0.8635   9.1996   64.100  -0.82   0.65   0.03   0.30 
1 1 1    6   25   13 o   13.380   0.4252   4.8852 -65.1000  -1.77  -6.38   2.90  -0.51 
1 1 1    6   25   14 o   3.2570   0.8914   2.1319 -127.8000  -0.82  -0.54  -0.48  -0.28 
1 1 1    6   25   15 o   12.577   1.0269   10.354 -131.9000  -4.84 -11.07   1.69  -2.69 
1 1 1    6   25   16 o   14.594   0.3028   15.899  141.100   0.59   0.15  -0.21   0.43 
1 1 1    6   25   17 f   8.2094   0.4929   2.0678   54.400   0.27   0.29   0.07  -0.05 
1 1 1    6   25   18 o   11.118   0.3872   11.201 -168.3000   0.41  -4.25   2.13   1.73 
1 1 1    6   25   19 o   4.4467   0.8141   6.3950  134.400   0.07   2.27   0.72  -0.36 
1 1 1    6   25   20 o   9.5747   0.8135   8.4777  122.300   0.52   3.40   0.45  -0.29 
1 1 1    6   25   21 o   1.7587   1.1494   7.0472  -2.6000   0.27  -0.03   0.22  -0.30 
1 1 1    6   25   22 o   13.573   0.3981   10.386   60.300  -1.90   2.78  -0.58   1.76 
1 1 1    6   25   23 o   3.3406   1.0063   6.8951 -158.0000  -0.13   0.06   0.01  -0.05 
1 1 1    6   25   24 o   6.0734   0.7445   4.8150  170.000  -0.03   0.33  -0.04   0.09 
1 1 1    6   25   25 o   12.282   0.7726   6.8489 -73.2000   3.41   1.97  -0.53  -0.32 
1 1 1    6   26    0 o   0.0000   3.5071   7.5960 -179.7000   0.01   0.00   0.00   0.00 
1 1 1    6   26    1 o   10.863   0.3796   10.678 -94.6000   0.48   0.25  -0.04  -0.03 
1 1 1    6   26    2 o   8.4932   1.3016   6.1772   64.300   8.80   3.92  -1.24  -1.76 
1 1 1    6   26    3 o   3.9437   0.9014   8.3183  132.400   0.77   0.83  -0.02  -0.18 
1 1 1    6   26    4 o   14.918   0.6846   21.259  109.000  -2.93   1.33  -0.50   0.34 
1 1 1    6   26    5 o   4.1282   0.7899   5.6974   29.000  -0.76  -0.35  -0.12  -0.08 
1 1 1    6   26    6 o   4.0309   0.8248   5.7822   17.700   1.02  -1.26   0.23   0.43 
1 1 1    6   26    7 o   0.8568   1.1795   4.4922  108.000   0.01  -0.03  -0.01  -0.01 
1 1 1    6   26    8 o   20.476   0.6624   21.489   13.400  12.76   0.77  -1.84  -0.49 
1 1 1    6   26    9 o   13.553   0.7502   9.8409   94.700 -15.50   1.82  -4.87   0.45 
1 1 1    6   26   10 f   4.5764   0.7353   7.4690  137.800   0.60  -0.46  -0.19   0.15 
1 1 1    6   26   11 o   8.5502   0.8113   12.789 -95.0000  -7.15   0.24  -2.98   1.12 
1 1 1    6   26   12 o   15.984   0.5089   11.275   77.100   4.37   1.99  -3.18  -0.66 
1 1 1    6   26   13 o   8.5798   0.8134   9.3113 -28.7000   3.51  -2.25  -0.18   0.90 
1 1 1    6   26   14 o   11.407   0.4250   5.3750  149.100  -2.17   1.25   0.13   1.52 
1 1 1    6   26   15 f   17.305   0.4525   14.375  135.900  -6.29  -0.61  -1.11  -0.57 
1 1 1    6   26   16 o   6.7139   0.5619   4.9433 -152.6000   0.01  -0.04  -0.00  -0.00 
1 1 1    6   26   17 o   5.2766   0.6196   2.4851 -178.3000  -0.92  -0.18  -0.65   0.62 
1 1 1    6   26   18 o   2.1173   1.1510   10.521 -35.5000  -0.26  -0.04  -0.02  -0.06 
1 1 1    6   26   19 o   13.212   0.3523   15.577   18.600   0.83   0.35   0.76  -0.42 
1 1 1    6   26   20 o   15.602   0.3011   9.7780  130.600  -0.14   1.08  -0.17  -0.93 
1 1 1    6   26   21 o   8.5731   0.5065   5.8190  125.100  -1.16   0.59  -0.18   0.08 
1 1 1    6   26   22 o   3.5530   1.6694   3.0463 -105.9000   0.04  -1.09   0.09   0.03 
1 1 1    6   26   23 o   7.7701   0.8833   5.5273   6.9000   0.17  -0.54   0.02   0.00 
1 1 1    6   27    0 o   17.689   0.3573   19.173  180.000  -0.22   0.00   0.00   0.00 
1 1 1    6   27    1 o   6.4550   0.6041   12.040  166.700   0.01   0.18   0.01  -0.04 
1 1 1    6   27    2 o   15.732   0.2823   14.038  145.800  -1.52   3.26   0.85   0.55 
1 1 1    6   27    3 o   10.475   0.4320   6.3054  114.900   1.10   0.78   0.43  -0.57 
1 1 1    6   27    4 o   22.379   0.2486   20.017  131.300  -0.98   1.31  -0.71   0.40 
1 1 1    6   27    5 o   4.5533   0.8384   4.9183 -72.0000   1.09   0.42  -0.21  -0.07 
1 1 1    6   27    6 o   3.5729   0.9037   4.0342   42.800  -0.77   0.12  -0.24  -0.09 
1 1 1    6   27    7 o   11.332   0.4214   11.346  137.800  -0.31   1.60   0.89  -1.29 
1 1 1    6   27    8 o   4.2164   0.8140   4.3244   82.600   0.19  -0.16  -0.09  -0.00 
1 1 1    6   27    9 o   4.8635   1.5335   2.9318 -28.6000   0.76   0.34  -0.02  -0.04 
1 1 1    6   27   10 o   4.1128   0.8011   9.9904   15.100   0.01  -0.39   0.07  -0.05 
1 1 1    6   27   11 o   3.1797   0.9761   2.4334 -138.6000   0.08  -0.43   0.15  -0.08 
1 1 1    6   27   12 o   18.548   0.6926   17.486  103.200   3.23   8.41   1.63  -3.49 
1 1 1    6   27   13 o   7.6045   0.9078   4.1499 -129.0000  -1.20  -5.50   1.78  -0.19 
1 1 1    6   27   14 o   9.3544   0.4609   9.3871   41.600   0.25   0.23   0.07  -0.03 
1 1 1    6   27   15 o   0.0000   2.5010  ?   ?    0.06  -0.69   0.20  -0.07 
1 1 1    6   27   16 o   6.5336   0.6560   5.0420  177.400   0.01   0.46  -0.03   0.23 
1 1 1    6   27   17 f   3.2869   1.5773   1.1786   28.900   0.44  -2.17   0.43   0.07 
1 1 1    6   27   18 o   12.567   0.3887   11.994 -33.9000   0.83  -0.53  -0.50  -0.41 
1 1 1    6   27   19 o   10.890   1.4843   7.0794  102.500   2.53  10.34   1.40  -1.17 
1 1 1    6   27   20 o   3.2043   1.4905   3.3900  140.800   0.03   0.15   0.00   0.00 
1 1 1    6   27   21 o   14.708   0.6360   12.880   5.6000   2.76   0.72  -0.15  -0.34 
1 1 1    6   28    0 o   13.871   0.4468   10.720 -179.9000   0.13   0.00   0.00   0.00 
1 1 1    6   28    1 o   11.322   0.4161   12.703  155.300   0.76   0.04   0.95   0.29 
1 1 1    6   28    2 o   16.884   0.2911   11.035 -176.4000  -0.52  -1.39   0.97   0.75 
1 1 1    6   28    3 o   3.9795   0.8808   5.4258   43.100   0.15  -0.24  -0.00   0.02 
1 1 1    6   28    4 o   20.842   0.6294   22.225  164.000  -8.10  -7.56   3.44  -6.93 
1 1 1    6   28    5 o   7.8064   0.5339   8.9710 -99.5000  -1.04  -0.70  -1.30   0.09 
1 1 1    6   28    6 o   6.2523   0.6950   8.7047 -87.0000   0.22  -0.52   0.06   0.01 
1 1 1    6   28    7 o   11.513   0.5389   12.374   45.300   4.61  -0.60  -1.42   1.28 
1 1 1    6   28    8 o   13.664   0.3718   8.3152   47.500  -0.23   0.88  -0.31   0.47 
1 1 1    6   28    9 f   6.0122   0.8780   2.2646 -29.0000   1.27  -1.29   0.13   0.28 
1 1 1    6   28   10 o   15.104   0.3504   15.136 -157.4000  -1.14   0.28   0.23   0.62 
1 1 1    6   28   11 o   8.0415   0.5884   11.770 -47.1000   3.74  -1.38  -1.65   0.25 
1 1 1    6   28   12 o   8.1717   1.2671   5.0595 -50.1000   6.15  -0.96  -0.95   0.63 
1 1 1    6   28   13 f   6.0599   0.8233   5.3423  -1.9000   1.81   0.01  -0.30   0.17 
1 1 1    6   28   14 o   13.541   0.7021   10.274 -51.6000  -0.35  -5.14   1.04  -0.64 
1 1 1    6   28   15 o   14.964   0.5802   14.887  141.900  -3.37   2.73  -1.01   0.86 
1 1 1    6   28   16 o   4.7753   0.8625   6.0874   70.900   0.06   0.76   0.14   0.12 
1 1 1    6   28   17 o   3.8788   0.9743   6.8006 -75.2000   0.54  -0.37  -0.11   0.04 
1 1 1    6   28   18 o   17.001   0.3722   13.673 -70.9000   0.53   0.37  -0.10   0.04 
1 1 1    6   28   19 o   15.239   0.3924   8.2801 -49.6000   0.77  -0.60  -0.08  -0.30 
1 1 1    6   29    0 f   14.290   0.5586   5.2853   0.3000  -0.66   0.00   0.00   0.00 
1 1 1    6   29    1 o   4.7062   1.0148   3.6967   34.800  -0.18   0.33  -0.12  -0.14 
1 1 1    6   29    2 o   6.2915   0.7771   6.4689 -49.2000   1.98  -0.03  -0.43  -0.28 
1 1 1    6   29    3 o   4.4761   1.0563   6.1650 -93.4000  -0.49  -0.68  -0.03  -0.12 
1 1 1    6   29    4 o   10.824   0.4814   2.4975  128.100   0.63  -0.13  -0.02   0.05 
1 1 1    6   29    5 o   3.3309   1.0984   2.6853 -21.2000  -0.15   0.25   0.06  -0.02 
1 1 1    6   29    6 o   5.5928   0.7826   4.1907 -125.4000   0.10   1.00  -0.78  -0.67 
1 1 1    6   29    7 o   8.6519   0.5472   11.978  174.300  -0.62   0.21   0.13  -0.40 
1 1 1    6   29    8 o   5.0165   0.7858   5.6037 -44.9000  -0.29  -0.09  -0.04   0.05 
1 1 1    6   29    9 o   11.565   0.8723   8.3997 -65.4000  -1.23  -5.60   0.91  -0.95 
1 1 1    6   29   10 f   6.4346   0.7501   6.7137 -21.6000   0.73  -0.03  -0.04   0.23 
1 1 1    6   29   11 o   3.9240   0.9326   2.6329   1.4000   0.19  -0.26   0.08  -0.01 
1 1 1    6   29   12 o   15.688   0.3400   12.262   86.700   0.52   1.50  -1.51   0.67 
1 1 1    6   29   13 o   9.5656   0.5366   10.555 -175.3000  -1.06   1.76   1.37  -0.48 
1 1 1    6   29   14 o   10.420   0.5257   3.5935 -112.8000  -0.02   0.05   0.00  -0.00 
1 1 1    6   29   15 o   11.211   0.7112   9.7418 -80.2000   0.63  -0.81  -0.02   0.06 
1 1 1    6   29   16 o   8.5038   0.5342   7.4187 -96.0000   0.31  -0.26  -0.00  -0.09 
1 1 1    6   29   17 o   3.7539   1.1944   4.3671 -73.8000   0.14  -1.03   0.14  -0.16 
1 1 1    6   30    0 f   15.527   0.5741   5.8491   0.9000   0.84   0.00   0.00   0.00 
1 1 1    6   30    1 o   11.297   0.4530   10.779  161.200   0.88   2.41   1.54   0.79 
1 1 1    6   30    2 f   0.0000   3.0449  ?   ?    0.02  -0.02  -0.00   0.00 
1 1 1    6   30    3 f   12.511   0.4434   4.3085 -88.0000   1.33  -2.23   0.00   0.40 
1 1 1    6   30    4 o   7.2586   0.7767   10.662  166.900  -0.75   0.96   0.42   0.01 
1 1 1    6   30    5 o   2.7825   1.4482   6.1583 -67.7000  -0.53  -0.17  -0.10   0.07 
1 1 1    6   30    6 o   15.750   0.4536   11.468 -30.9000   5.16   2.00  -0.53  -1.83 
1 1 1    6   30    7 o   11.242   1.4734   13.468  147.500  -8.82   1.27  -1.62  -0.17 
1 1 1    6   30    8 o   11.358   0.5351   12.756   42.500   0.21   0.82  -0.02   0.29 
1 1 1    6   30    9 o   4.2260   0.9812   6.6928  177.600   0.06  -0.17  -0.03   0.01 
1 1 1    6   30   10 o   11.877   0.6074   10.994   96.700  -1.62   2.51   0.82   0.32 
1 1 1    6   30   11 o   4.0875   1.9169   2.9245 -92.3000  -1.92  -0.12  -0.34   0.15 
1 1 1    6   30   12 o   10.150   0.5459   4.9838 -65.1000  -0.02  -0.03   0.00  -0.00 
1 1 1    6   30   13 o   9.9412   1.3547   5.6448 -137.5000  -1.80  -0.77  -0.02  -0.10 
1 1 1    6   30   14 o   0.0000   2.8487  ?   ?   -0.39  -0.38  -0.11  -0.11 
1 1 1    6   31    0 o   0.0000   4.0497   2.9061  178.400  -0.12   0.00   0.00   0.00 
1 1 1    6   31    1 o   5.4781   0.9362   5.2611 -11.5000  -0.26   0.18   0.02   0.01 
1 1 1    6   31    2 o   5.1506   0.9282   7.8404 -40.8000   0.06  -1.79   0.34  -0.30 
1 1 1    6   31    3 o   12.469   0.6897   12.969 -83.1000  -2.01  -3.01  -0.55  -0.80 
1 1 1    6   31    4 o   0.0000   2.9816  ?   ?    0.11   0.01   0.01   0.01 
1 1 1    6   31    5 o   5.3085   0.8180   1.4800 -29.3000   0.11  -0.07  -0.00  -0.01 
1 1 1    6   31    6 o   0.0000   3.0536  ?   ?   -0.10   0.15  -0.02   0.01 
1 1 1    6   31    7 o   6.7201   0.7250   8.9515 -163.9000  -0.43   0.44   0.13  -0.11 
1 1 1    6   31    8 o   1.2157   1.4678   3.2708  155.900  -0.53  -0.54  -0.31   0.03 
1 1 1    6   31    9 f   0.0000   3.0830  ?   ?   -0.20  -0.44   0.00  -0.05 
1 1 1    6   31   10 o   7.6992   1.4060   6.7567   20.700   1.26  -0.96  -0.06   0.06 
1 1 1    6   31   11 o   0.0000   2.9351  ?   ?    0.05   0.00  -0.00   0.00 
1 1 1    6   32    0 o   5.5678   1.3015   8.1532  -0.1000   0.15   0.00   0.00   0.00 
1 1 1    6   32    1 o   0.0000   3.0773  ?   ?    0.62  -0.47   0.14   0.13 
1 1 1    6   32    2 o   0.0000   3.1985  ?   ?    0.18   0.23  -0.03   0.03 
1 1 1    6   32    3 f   8.2776   1.1219   9.7741 -164.9000  -1.52   1.20   0.11   0.14 
1 1 1    6   32    4 f   6.6515   0.8342   8.4205  179.200  -0.20  -0.25  -0.02  -0.00 
1 1 1    6   32    5 o   0.0000   3.0112  ?   ?   -0.29   0.05   0.01   0.05 
1 1 1    7    0    1 o   19.491   0.2457   18.021   87.500   0.00   0.22   0.00   0.00 
1 1 1    7    0    2 f   15.375   0.2243   14.776  -1.4000   0.02   0.00   0.00   0.00 
1 1 1    7    0    3 o   23.877   0.1932   16.119 -92.4000  -0.00  -0.39   0.00   0.00 
1 1 1    7    0    4 o   4.4385   0.2553   12.123 -179.3000  -0.06   0.00   0.00   0.00 
1 1 1    7    0    5 o   6.4109   0.1893   15.729 -90.4000   0.00   0.01   0.00   0.00 
1 1 1    7    0    6 o   57.524   0.3602   43.405  179.100  -0.25   0.00   0.00   0.00 
1 1 1    7    0    7 f   36.348   0.2866   30.144 -89.9000  -0.00  -0.57   0.00   0.00 
1 1 1    7    0    8 f   14.039   0.1967   39.957  -1.4000   0.04   0.00   0.00   0.00 
1 1 1    7    0    9 o   26.484   0.2710   28.405   90.100   0.00   0.06   0.00   0.00 
1 1 1    7    0   10 o   24.666   0.1931   59.501 -179.9000  -0.18   0.00   0.00   0.00 
1 1 1    7    0   11 o   14.809   0.1669   17.930   90.100  -0.00  -0.02   0.00   0.00 
1 1 1    7    0   12 f   25.716   0.2064   9.6775 -177.4000   0.07   0.00   0.00   0.00 
1 1 1    7    0   13 o   44.466   0.2982   46.382 -90.1000  -0.00  -0.23   0.00   0.00 
1 1 1    7    0   14 o   87.004   0.5181  102.662  179.600  -0.30   0.00   0.00   0.00 
1 1 1    7    0   15 o   27.424   0.2350   21.355   90.100   0.00   0.09   0.00   0.00 
1 1 1    7    0   16 o   54.192   0.3493   61.799  -0.3000   0.04   0.00   0.00   0.00 
1 1 1    7    0   17 o   13.435   0.2341   7.8142 -90.4000  -0.00  -0.06   0.00   0.00 
1 1 1    7    0   18 o   1.6733   0.9312   16.487  177.300   0.00   0.00   0.00   0.00 
1 1 1    7    0   19 o   31.415   0.2730   25.301   91.300   0.00   0.02   0.00   0.00 
1 1 1    7    0   20 o   17.955   0.2607   7.9915  -1.2000   0.02   0.00   0.00   0.00 
1 1 1    7    0   21 o   17.490   0.4350   8.7136   90.900  -0.00  -0.01   0.00   0.00 
1 1 1    7    0   22 o   64.813   0.4284   58.191   0.4000   0.35   0.00   0.00   0.00 
1 1 1    7    0   23 o   27.632   0.3202   36.346   89.900   0.00   0.26   0.00   0.00 
1 1 1    7    0   24 o   40.896   0.3251   25.295   0.3000   0.04   0.00   0.00   0.00 
1 1 1    7    0   25 o  116.278   0.6954  109.938 -90.2000  -0.00  -1.01   0.00   0.00 
1 1 1    7    0   26 o   26.473   0.2766   25.590  -0.4000   0.04   0.00   0.00   0.00 
1 1 1    7    0   27 o   20.833   0.2794   16.250   89.600   0.00   0.11   0.00   0.00 
1 1 1    7    0   28 o   47.244   0.3498   43.611 -179.9000   0.26   0.00   0.00   0.00 
1 1 1    7    0   29 o   25.950   0.2972   22.320   90.100   0.00   0.46   0.00   0.00 
1 1 1    7    0   30 o   0.7746   1.2563   6.9464  178.900   0.03   0.00   0.00   0.00 
1 1 1    7    0   31 o   3.7550   0.9181   3.5842 -89.9000  -0.00  -0.07   0.00   0.00 
1 1 1    7    0   32 o   3.3912   0.9396   3.1253  179.400  -0.05   0.00   0.00   0.00 
1 1 1    7    0   33 o   4.7011   0.7834   2.2356 -90.4000   0.00   0.01   0.00   0.00 
1 1 1    7    0   34 o   11.593   0.4161   7.7503  -0.8000   0.17   0.00   0.00   0.00 
1 1 1    7    0   35 o   30.592   0.3138   31.005   90.000   0.00   0.71   0.00   0.00 
1 1 1    7    0   36 o   24.532   0.3318   15.080  179.800   0.01   0.00   0.00   0.00 
1 1 1    7    0   37 o   0.0000   3.1145   1.9720   89.100  -0.00  -0.05   0.00   0.00 
1 1 1    7    0   38 o   0.0000   3.3166   7.1820 -179.2000  -0.10   0.00   0.00   0.00 
1 1 1    7    0   39 f   4.3474   1.1206   6.7798   89.800   0.00   0.02   0.00   0.00 
1 1 1    7    1    0 f   24.544   0.2081   11.156   88.700  -0.00  -0.13   0.00   0.00 
1 1 1    7    1    1 o   51.278   1.5160   43.451 -39.0000  19.32  16.33  -0.44 -12.09 
1 1 1    7    1    2 o   41.520   1.6058   29.526 -35.4000   0.95 -13.56   3.50   0.13 
1 1 1    7    1    3 o   50.271   0.3479   49.070  159.700  -0.92   0.08   2.05   2.23 
1 1 1    7    1    4 o   29.611   1.2992   40.111 -139.7000  -7.66   2.56  -1.54   1.40 
1 1 1    7    1    5 f   51.085   0.8863   40.203 -43.3000   3.49  -1.51  -0.77   1.79 
1 1 1    7    1    6 o   41.465   1.5597   58.956 -22.9000   7.72   2.99  -1.42  -1.01 
1 1 1    7    1    7 o   28.799   2.2283   37.349   92.000 -11.19  39.01   9.10   5.97 
1 1 1    7    1    8 o   56.606   1.0954   66.677  143.000  -1.25   8.70   2.48   1.02 
1 1 1    7    1    9 f   7.9212   0.8276   27.537   55.400   8.61   9.99   1.39 -10.72 
1 1 1    7    1   10 o   40.647   1.4626   31.532   6.5000  15.12  14.60   0.12  -7.41 
1 1 1    7    1   11 o   39.618   1.6898   49.228   23.900  12.96   4.21  -2.80  -1.88 
1 1 1    7    1   12 o   64.786   1.0890   65.778 -119.7000 -11.36   1.13  -6.62   0.58 
1 1 1    7    1   13 o   47.140   1.0497   36.140  172.300  -0.58  11.70   8.26   1.33 
1 1 1    7    1   14 o  116.668   0.8259  119.484   72.100   2.13  -0.02  -2.33  -1.53 
1 1 1    7    1   15 o   50.022   0.2372   52.791 -148.7000  -0.46  -0.29  12.33  11.00 
1 1 1    7    1   16 o   7.0531   0.8045   13.659   66.100  -6.25   7.13   0.71   5.82 
1 1 1    7    1   17 o   35.863   0.4602   49.087 -99.2000  -1.28  -0.56  -0.24  -0.20 
1 1 1    7    1   18 o   55.926   0.4190   54.430  126.900  -0.26   0.12  -0.48  -0.38 
1 1 1    7    1   19 o   21.478   0.7706   15.093 -29.9000   9.67  -3.37  -2.43   2.01 
1 1 1    7    1   20 o   57.808   0.5075   63.374 -29.3000   1.40   0.57  -0.20  -0.25 
1 1 1    7    1   21 o   16.979   0.3086   4.7941   42.500   0.43   1.45   1.28  -1.08 
1 1 1    7    1   22 o   52.652   1.3442   60.006   37.500   8.13   3.52  -1.44  -1.26 
1 1 1    7    1   23 o   51.984   0.4587   56.420 -159.6000  -2.97   4.09   0.76   1.59 
1 1 1    7    1   24 o   65.539   1.6045   64.940 -123.1000 -23.73 -17.65  -3.54  -9.36 
1 1 1    7    1   25 o   35.003   0.7365   28.135 -54.6000  -4.39  -6.21   0.76  -3.06 
1 1 1    7    1   26 f   14.286   1.1226   25.721  -9.4000  19.74  12.31  -3.36  -6.50 
1 1 1    7    1   27 o   3.7985   0.6012   8.8662 -15.8000  -1.26   0.46  -0.87   0.89 
1 1 1    7    1   28 f   17.191   0.4640   21.621 -151.4000  -1.38   4.74   2.40   1.18 
1 1 1    7    1   29 o   39.968   0.6623   34.679  161.100  -6.68   3.92  -0.81   2.68 
1 1 1    7    1   30 o   18.287   0.5628   18.094   58.400   9.23   0.55  -3.03  -0.66 
1 1 1    7    1   31 o   22.921   0.4315   27.751   9.0000   0.65   6.42   1.97  -0.09 
1 1 1    7    1   32 f   10.388   0.3582   5.1166   13.300  -1.06  -5.06   3.03  -0.89 
1 1 1    7    1   33 o   14.829   0.7615   15.082  163.000  -8.59  -2.10  -2.00  -1.42 
1 1 1    7    1   34 o   21.288   0.2131   10.966 -77.0000  -0.99   0.32  -0.83  -0.16 
1 1 1    7    1   35 f   6.6774   0.4611   9.8444 -68.5000  -0.04  -0.41   0.12  -0.08 
1 1 1    7    1   36 o   26.052   0.2712   27.358 -101.4000  -5.66   0.18  -7.17   5.94 
1 1 1    7    1   37 o   9.6662   0.4022   4.9661 -140.5000  -0.66   0.55   0.07   0.27 
1 1 1    7    1   38 o   8.3423   0.4322   12.406  147.800   0.26   0.29   0.11  -0.10 
1 1 1    7    2    0 o   16.917   0.2361   16.887   91.300   0.00   0.36   0.00   0.00 
1 1 1    7    2    1 o   60.767   0.3196   67.740   74.800   6.03  -0.54  -4.86   3.72 
1 1 1    7    2    2 o   17.443   1.1521   22.127   1.1000   4.67  -2.10  -0.55   0.55 
1 1 1    7    2    3 o   27.144   0.4025   23.923 -121.0000   1.38  -5.26   3.18   2.65 
1 1 1    7    2    4 o   9.3768   0.6186   8.8600 -42.4000   3.44  -2.65  -0.57   2.97 
1 1 1    7    2    5 o   20.400   2.7919   14.028 -146.7000 -23.07 -37.19   4.81  -9.08 
1 1 1    7    2    6 o   55.752   0.2818   34.563 -154.6000   0.53   0.45   1.07   1.24 
1 1 1    7    2    7 o   36.095   2.2145   45.295   10.900  18.08  32.38   6.01  -9.10 
1 1 1    7    2    8 o   47.269   0.2501   46.525   46.000   1.36  -0.69  -0.39   1.73 
1 1 1    7    2    9 o   23.724   1.3897   24.936   25.400  14.42  23.16   5.75 -12.66 
1 1 1    7    2   10 f   43.983   0.2203   29.455  160.300  -0.21   0.81   3.68  -6.70 
1 1 1    7    2   11 o   37.972   1.0985   27.084 -108.3000  -2.09  -7.98   1.57  -0.98 
1 1 1    7    2   12 o   66.933   2.3588   64.038 -79.1000 -27.51 -41.83   6.69 -17.60 
1 1 1    7    2   13 o   27.732   1.7320   21.259 -122.1000 -13.44 -19.99   2.82  -7.25 
1 1 1    7    2   14 o   31.596   0.3079   42.879   92.400   1.35   1.47  -0.01  -1.35 
1 1 1    7    2   15 o   43.535   2.4742   46.439   9.7000  37.42   3.03  -7.31  -1.05 
1 1 1    7    2   16 f   17.317   0.1495   25.668 -139.5000   0.09   0.24   0.10  -0.11 
1 1 1    7    2   17 o   40.595   0.2663   36.417  177.200  -1.11  -0.74  -0.21  -0.34 
1 1 1    7    2   18 o   29.865   0.6028   18.393   30.400   3.88   1.19  -2.44  -2.09 
1 1 1    7    2   19 o   36.365   1.0367   32.764  123.400  -9.36   8.51  -0.17   2.50 
1 1 1    7    2   20 o   44.359   1.7978   39.226  172.900 -18.92   5.41  -4.87   3.36 
1 1 1    7    2   21 f   41.367   0.9891   36.334   33.800   3.23   7.90   2.84  -2.37 
1 1 1    7    2   22 o   26.397   0.4191   30.210   66.900   1.59   0.90  -1.08  -1.14 
1 1 1    7    2   23 o   41.217   1.3099   32.525   55.100  19.66  -4.77  -5.94   3.44 
1 1 1    7    2   24 o   34.068   0.9302   38.064 -114.5000   4.49  -6.95   0.59   1.57 
1 1 1    7    2   25 o   53.854   0.3055   65.473 -88.1000  12.01  -2.74 -14.67   3.50 
1 1 1    7    2   26 o   26.604   2.0193   29.785 -31.6000  84.49  -9.57 -23.08   4.85 
1 1 1    7    2   27 o   25.472   0.5568   18.035   35.300   6.41  -3.28  -2.13   3.94 
1 1 1    7    2   28 o   12.456   0.2601   19.644 -155.6000  -0.46   0.12  -0.20   0.05 
1 1 1    7    2   29 o   18.541   0.4362   24.257  151.000  -3.82  -1.81  -0.81  -1.31 
1 1 1    7    2   30 f   14.827   0.6768   15.866  178.800  -6.38  -0.58  -1.69  -0.46 
1 1 1    7    2   31 o   12.358   0.2768   9.9661 -128.9000  -0.93   0.48   1.76   4.88 
1 1 1    7    2   32 o   13.307   1.4411   5.9637 -174.5000 -20.28  20.83   0.52   7.61 
1 1 1    7    2   33 o   12.973   0.2697   7.0478 -104.9000  -0.02   0.23   0.04   0.10 
1 1 1    7    2   34 o   23.957   0.2698   23.504  -4.6000   0.73   0.29   2.10   0.22 
1 1 1    7    2   35 o   27.681   0.7825   26.087  114.600 -10.43   5.02  -2.35   1.93 
1 1 1    7    2   36 o   14.896   0.2565   13.551 -117.8000  -2.47   1.86  -2.93   3.12 
1 1 1    7    2   37 f   4.0853   0.7200   6.5649  152.400   0.60  -0.57  -0.25   0.49 
1 1 1    7    2   38 o   8.7843   0.3983   2.7490  136.500  -0.07  -1.34   0.71   0.26 
1 1 1    7    3    0 o   6.3403   0.2282   13.943 -91.2000   0.00   0.00   0.00   0.00 
1 1 1    7    3    1 o   20.020   2.0754   23.574 -145.8000 -31.02   3.28  -9.96   2.53 
1 1 1    7    3    2 o   71.960   3.7728   66.479 -43.4000  28.02 -56.20  10.07  11.19 
1 1 1    7    3    3 o   55.184   0.6985   56.787 -167.0000  -8.85 -16.38  10.98 -10.71 
1 1 1    7    3    4 o   72.165   0.8591   72.812  159.100 -10.46  -4.34  -2.45  -4.44 
1 1 1    7    3    5 o   48.713   1.9820   50.148 -54.6000  14.30  -8.88  -1.69   4.79 
1 1 1    7    3    6 o   57.755   1.1761   42.137 -88.9000   5.75  -7.81   0.31   2.83 
1 1 1    7    3    7 o   29.491   2.0788   34.933   7.7000  26.56  -6.44  -5.57   2.69 
1 1 1    7    3    8 o   38.381   1.9919   40.612   79.600  22.65  32.85   7.55 -17.61 
1 1 1    7    3    9 o   21.003   0.5618   4.8400 -169.4000  -3.45   2.03  -0.65   1.36 
1 1 1    7    3   10 o   43.180   0.5735   34.470   54.200   6.46  -1.70  -2.81   1.94 
1 1 1    7    3   11 o   47.117   0.3518   46.269 -63.1000   0.17  -0.14  -0.09   0.09 
1 1 1    7    3   12 o   41.978   1.3805   37.033 -121.5000  -8.41  -4.95  -1.24  -2.54 
1 1 1    7    3   13 o  100.623   2.1136  110.925  114.700  -4.37  17.43   3.54   2.22 
1 1 1    7    3   14 o   62.957   2.7495   62.215 -10.0000  43.34   0.12 -11.96  -0.39 
1 1 1    7    3   15 o   51.026   1.4198   44.132 -104.6000  -5.23  -5.96   0.23  -1.33 
1 1 1    7    3   16 f   31.859   1.2219   56.042   16.800   1.03  15.59   7.11  -0.72 
1 1 1    7    3   17 o   10.999   0.2013   9.3022   33.200   0.01  -0.16   1.08  -0.67 
1 1 1    7    3   18 o   48.565   0.8808   39.061 -109.8000   2.07  -3.88   0.70   1.39 
1 1 1    7    3   19 o   92.169   0.3988   95.843   10.700   0.50   2.52   6.36   1.88 
1 1 1    7    3   20 o   44.784   1.0094   40.487   9.1000   7.72   2.37  -2.90  -2.39 
1 1 1    7    3   21 o   98.949   0.7979   97.426  139.100  -0.25   2.28   0.64  -0.08 
1 1 1    7    3   22 o   51.111   0.4141   50.905 -11.2000  -0.43  -2.00   1.81  -0.02 
1 1 1    7    3   23 o   27.829   0.4968   26.559  141.000  -4.59  -2.59  -1.92  -2.65 
1 1 1    7    3   24 o   30.623   0.7909   28.027  169.100  -0.60   8.39   2.69   0.58 
1 1 1    7    3   25 o   18.921   0.2494   12.969 -152.9000   3.43  -1.78  -1.70   3.11 
1 1 1    7    3   26 o   20.912   1.2027   29.454 -16.0000  28.10  22.73  -2.81 -11.72 
1 1 1    7    3   27 o   7.0184   0.9940   5.9509   28.200   7.45   1.78  -2.02  -0.95 
1 1 1    7    3   28 o   46.433   0.6001   45.835  157.700  -3.28   4.41   1.18   1.90 
1 1 1    7    3   29 o   14.071   0.2363   14.472 -179.9000   0.02   0.21   0.03  -0.01 
1 1 1    7    3   30 o   10.519   0.5733   8.7788  10.0000  -0.78  -6.78   3.75  -1.26 
1 1 1    7    3   31 o   8.1836   0.7261   14.427 -132.7000  -5.89  -0.43  -1.97  -0.14 
1 1 1    7    3   32 o   14.895   1.4529   16.358   16.100  17.93  24.24   1.71  -6.55 
1 1 1    7    3   33 o   15.796   0.7327   15.721  162.000  -6.55  -2.10  -1.26  -1.25 
1 1 1    7    3   34 f   15.351   0.2638   13.643   89.400  -0.15   1.19  -3.24   6.33 
1 1 1    7    3   35 o   5.8376   0.5577   9.4324 -40.2000   1.29   0.08  -0.54  -0.24 
1 1 1    7    3   36 o   26.285   0.3148   21.495 -152.3000  -2.51   4.42   2.82   1.92 
1 1 1    7    3   37 o   12.819   0.6366   13.061  168.600  -1.41   1.11  -0.00   0.23 
1 1 1    7    3   38 o   11.342   0.6699   7.0347 -151.3000  -1.95   2.04  -0.06   0.43 
1 1 1    7    4    0 o   10.770   0.2362   4.8517   90.000   0.00   0.09   0.00   0.00 
1 1 1    7    4    1 o   37.152   0.9990   32.997   10.900  -0.54   3.12   0.68   0.40 
1 1 1    7    4    2 o   39.463   0.8592   54.986 -99.0000   7.48 -14.88   6.61  12.93 
1 1 1    7    4    3 o   22.154   0.9259   21.229 -85.1000   2.96   1.16  -0.55  -0.41 
1 1 1    7    4    4 o   13.256   2.6851   17.970 -44.6000  11.15 -39.16   8.77   5.21 
1 1 1    7    4    5 o   19.381   0.2498   17.768  -6.7000  -0.48   0.82   0.12   0.43 
1 1 1    7    4    6 o   44.336   0.8122   42.681 -137.6000  -1.77  -2.92   0.45  -1.30 
1 1 1    7    4    7 o   56.984   2.9749   48.565   25.600   1.38  70.92  23.64   0.02 
1 1 1    7    4    8 o   31.520   1.1020   27.954   7.9000   3.15  -2.28  -0.28   0.70 
1 1 1    7    4    9 o   8.3071   1.0403   22.640  139.500 -13.66 -14.23   1.12 -18.06 
1 1 1    7    4   10 o   21.002   1.5813   25.855 -148.1000  -5.89 -21.93   8.97  -4.94 
1 1 1    7    4   11 o   74.388   0.3210   65.812 -28.9000   0.19   0.11  -0.20   0.05 
1 1 1    7    4   12 o   37.138   3.0775   47.191 -101.4000 -18.26 -61.70  12.89  -8.57 
1 1 1    7    4   13 o   39.903   1.5474   22.197   99.400   4.58  15.71   2.93  -1.96 
1 1 1    7    4   14 o   27.566   0.1629   28.531  153.200  -0.23  -0.13  -0.29  -0.24 
1 1 1    7    4   15 o   57.600   0.8451   58.393 -37.2000  -1.56  -3.17   0.92  -0.95 
1 1 1    7    4   16 o   72.191   1.0555   72.692  102.600   8.42  15.00   3.83  -7.55 
1 1 1    7    4   17 o   15.170   2.4176   17.861  178.200 -18.17  12.85  -1.46   3.98 
1 1 1    7    4   18 o   37.729   0.8746   46.726 -27.5000   5.62 -11.52   3.49   4.12 
1 1 1    7    4   19 o   21.100   1.5435   11.850   64.800 -25.68  29.41   1.89  12.79 
1 1 1    7    4   20 f   53.077   0.5344   46.644   97.100   5.84  -0.71  -3.90   0.33 
1 1 1    7    4   21 f   19.544   0.3504   29.792   79.900   0.08  -0.11   0.27   0.06 
1 1 1    7    4   22 o   27.541   1.9976   15.499 -43.4000  17.65   9.02  -2.95  -3.79 
1 1 1    7    4   23 o   53.566   1.5456   58.651   42.100  25.25   9.32  -5.15  -3.99 
1 1 1    7    4   24 o   45.334   0.2417   35.085  -9.4000   1.47   2.00  -0.08  -2.24 
1 1 1    7    4   25 o   18.389   1.8025   30.349 -104.5000  74.48 -52.59 -13.43  36.02 
1 1 1    7    4   26 o   33.507   0.3991   38.518 -35.9000   2.77   0.78  -1.25  -1.35 
1 1 1    7    4   27 o   27.017   1.2242   32.422 -15.6000  18.64  -7.38  -3.73   3.91 
1 1 1    7    4   28 f   13.526   0.4699   15.930   72.700  -2.45   3.06   0.24   2.09 
1 1 1    7    4   29 o   26.752   1.8961   22.188   60.000  34.11  42.15   3.74 -14.25 
1 1 1    7    4   30 o   23.799   0.9290   28.947  147.600 -18.99  -6.32  -6.37  -5.77 
1 1 1    7    4   31 o   5.6425   0.6446   5.8970 -92.9000   0.29  -0.72   0.05   0.05 
1 1 1    7    4   32 o   13.903   0.3687   2.9979 -141.9000  -6.33   2.70  -3.45   5.07 
1 1 1    7    4   33 o   17.603   0.2294   17.344 -92.9000  -0.23  -0.65   0.06  -0.45 
1 1 1    7    4   34 o   36.419   0.2392   30.072  -5.2000   1.20   0.05   2.16  -0.46 
1 1 1    7    4   35 f   16.578   0.3819   19.894   59.800   0.18   2.54   0.95   0.19 
1 1 1    7    4   36 o   11.900   0.4863   9.0373 -63.1000   2.14  -0.19  -0.44   0.18 
1 1 1    7    4   37 o   10.182   0.3725   11.690   16.700  -0.01  -0.38   0.05   0.51 
1 1 1    7    4   38 o   1.9261   1.1271   1.2940  -2.7000  -1.15   0.75  -0.07   0.21 
1 1 1    7    5    0 o   9.6592   0.2472   23.647 -91.5000  -0.00  -0.15   0.00   0.00 
1 1 1    7    5    1 o   33.137   3.0037   26.371 -142.5000 -35.20  -7.87  -6.18  -2.58 
1 1 1    7    5    2 o   57.391   0.3946   58.479 -34.8000   1.28  -0.33  -0.41  -4.06 
1 1 1    7    5    3 f   38.972   2.1449   47.507 -102.4000  -2.25 -23.13   4.16  -0.54 
1 1 1    7    5    4 o   80.380   2.7678   76.191   73.600  24.47  24.03  -0.98  -9.82 
1 1 1    7    5    5 o   25.934   1.6623   27.546   76.700  -4.87  23.48   6.97   3.26 
1 1 1    7    5    6 o   19.666   2.1653   27.621 -157.2000   6.94 -38.77  10.39   4.03 
1 1 1    7    5    7 f   19.815   2.1692   12.664 -11.6000  18.21 -37.70   8.75  11.41 
1 1 1    7    5    8 o   28.823   0.9916   35.798   82.400  10.22  13.74   7.17 -18.81 
1 1 1    7    5    9 o   14.984   0.2694   30.931  152.300   0.30   0.16  -0.07  -0.14 
1 1 1    7    5   10 f   49.478   2.6949   45.021 -175.9000 -32.95 -58.26  16.83 -26.14 
1 1 1    7    5   11 f   19.812   0.3935   23.736 -72.2000  -0.28  -1.89   0.57  -0.21 
1 1 1    7    5   12 o   51.907   0.4183   69.540 -118.7000  -0.15  -1.09   0.10  -0.04 
1 1 1    7    5   13 o   29.908   0.2512   39.666   77.500   0.19  -0.08  -2.11  -0.90 
1 1 1    7    5   14 f   25.048   1.1129   24.463 -40.0000   9.16  -4.03  -2.78   2.86 
1 1 1    7    5   15 o   82.108   1.0397   80.628 -130.4000  -4.04  -2.83  -0.41  -2.23 
1 1 1    7    5   16 o   25.359   1.0462   34.920  148.500  -6.86  -2.96  -1.92  -2.24 
1 1 1    7    5   17 o   44.868   1.1720   30.601 -162.2000  -6.51   0.60  -1.57   0.42 
1 1 1    7    5   18 o   46.862   2.4430   52.673 -117.6000 -47.88 -44.22  -1.12 -18.37 
1 1 1    7    5   19 o   42.509   0.7444   46.875   2.9000   4.77  14.25   7.57  -5.14 
1 1 1    7    5   20 o   55.589   0.3225   45.786   75.200  -1.06   2.40   1.14   2.51 
1 1 1    7    5   21 o  107.409   0.4563  117.820  132.900  -5.84  -1.49  -2.70  -6.45 
1 1 1    7    5   22 o   46.824   0.2431   36.250 -72.5000   0.08  -0.39  -3.27  -0.38 
1 1 1    7    5   23 o   11.463   2.0752   14.930   32.000  23.17  21.81  -0.35  -6.59 
1 1 1    7    5   24 o   43.206   0.2297   19.915  119.300   0.36   0.98   0.30  -0.63 
1 1 1    7    5   25 o   37.334   0.5383   37.346  117.000   1.26   5.73   1.50  -0.51 
1 1 1    7    5   26 o   27.642   0.7799   30.470 -88.3000   5.83  -8.35   1.66   3.49 
1 1 1    7    5   27 o   9.7460   0.8499   17.563   3.9000  10.24  -0.74  -3.47   0.65 
1 1 1    7    5   28 o   17.823   0.8910   21.030 -132.7000 -10.61  -4.54  -1.82  -1.69 
1 1 1    7    5   29 o   16.761   0.2241   15.710 -97.6000   0.29  -0.08   0.03   0.49 
1 1 1    7    5   30 o   18.635   0.5632   20.079 -74.0000  -0.73  -5.34   1.50  -0.66 
1 1 1    7    5   31 o   32.424   0.8250   31.100 -151.8000 -19.21   1.62  -5.67   1.73 
1 1 1    7    5   32 o   15.672   0.4927   15.073   70.800   0.90   4.12   1.06  -0.81 
1 1 1    7    5   33 o   17.985   0.2237   14.190  102.700  -1.40   1.40  -5.31   3.13 
1 1 1    7    5   34 o   9.7261   0.3998   4.4175   7.4000  -0.63  -6.43   4.64  -1.85 
1 1 1    7    5   35 o   14.253   0.3263   11.516   55.400   0.18   0.33   0.02  -0.02 
1 1 1    7    5   36 o   28.788   0.4327   28.127 -116.9000  -7.05  -2.13  -5.14  -0.88 
1 1 1    7    5   37 o   28.425   0.5638   27.406  168.600  -3.56   1.19  -0.43   0.88 
1 1 1    7    5   38 f   1.3609   1.2289   8.5983 -57.3000  -0.02  -0.02   0.00   0.01 
1 1 1    7    6    0 o   51.629   0.3301   17.054   89.300  -0.00  -0.48   0.00   0.00 
1 1 1    7    6    1 o   39.168   1.0091   45.591 -49.3000  -6.04  -8.32   1.44  -6.49 
1 1 1    7    6    2 o   80.151   1.6363   71.658 -138.2000   8.25 -37.29  13.39   7.77 
1 1 1    7    6    3 o   42.865   0.5048   50.579  157.700  -6.73 -13.79   7.14  -7.62 
1 1 1    7    6    4 o   28.764   0.6959   21.661   15.300   2.79  -2.31  -0.13   1.30 
1 1 1    7    6    5 o   11.320   0.2597   16.832 -31.4000   1.61  -1.55  -0.17   1.70 
1 1 1    7    6    6 o   14.216   0.2806   6.6627 -159.6000  -2.81   2.38  -0.46   5.75 
1 1 1    7    6    7 o   30.871   1.6914   58.604 -113.1000 -20.47 -12.78  -3.02  -5.72 
1 1 1    7    6    8 f   9.0592   0.5233   18.448   7.6000   4.19   1.25  -3.62  -2.52 
1 1 1    7    6    9 o   49.748   1.1643   53.770   33.300   3.85  15.65   5.08  -3.03 
1 1 1    7    6   10 f   39.239   0.8787   35.194 -165.4000  -4.81  -6.68   2.16  -5.05 
1 1 1    7    6   11 o   40.841   0.2210   40.785   27.300  -0.95  -6.53   8.99  -3.71 
1 1 1    7    6   12 f   54.254   2.5623   47.389  137.300 -31.66   5.24 -10.39   3.19 
1 1 1    7    6   13 f   12.016   0.4365   23.876 -138.9000  -2.76   0.63  -1.30   0.66 
1 1 1    7    6   14 o   28.740   2.3485   34.331   89.600  49.12  -3.58 -15.50   2.06 
1 1 1    7    6   15 o   20.192   1.2623   16.452 -120.5000 -10.97  -8.32  -1.06  -3.57 
1 1 1    7    6   16 o   43.584   1.4874   49.558  108.500  13.18  19.83   3.38  -9.42 
1 1 1    7    6   17 o   23.897   2.5956   41.789  145.300 -35.26   6.59  -8.89   3.26 
1 1 1    7    6   18 o   50.688   0.6612   47.700   54.200  15.14  -4.63 -15.71  12.78 
1 1 1    7    6   19 o   42.766   1.8672   35.022  154.600 -14.66  19.15   2.27   7.19 
1 1 1    7    6   20 o   22.699   0.6273   10.738 -70.4000  -3.43  -3.39  -0.47  -4.43 
1 1 1    7    6   21 o   0.0000   2.1890  ?   ?    0.02   0.06   0.06  -0.03 
1 1 1    7    6   22 f   40.075   1.5018   39.080 -75.3000  16.96 -20.43   1.77   7.75 
1 1 1    7    6   23 o   25.704   2.0996   11.761   53.600 -29.44  32.92   1.03  11.60 
1 1 1    7    6   24 o   49.328   0.5479   53.948   3.1000   6.26   3.18  -1.71  -1.76 
1 1 1    7    6   25 o   28.538   0.6579   38.129 -103.2000   6.93  -6.18  -0.93   4.60 
1 1 1    7    6   26 o   27.021   0.5289   30.649 -65.4000   1.10  -1.95   0.18   0.23 
1 1 1    7    6   27 o   35.243   1.3419   38.131 -113.9000 -11.50 -11.83   0.54  -4.45 
1 1 1    7    6   28 o   19.158   1.1940   12.745 -11.2000  14.67  11.66  -1.02  -6.18 
1 1 1    7    6   29 o   27.072   0.2075   25.559  130.500  -2.56  -3.75  -0.08  -5.58 
1 1 1    7    6   30 o   15.636   0.9209   20.081  171.300  -9.47  -4.51  -1.97  -2.94 
1 1 1    7    6   31 o   17.215   0.7932   14.858  175.800 -12.74 -13.16   1.70 -12.19 
1 1 1    7    6   32 o   1.6448   1.0373   1.7505 -156.9000  -1.06  -0.60  -0.25  -0.31 
1 1 1    7    6   33 o   21.039   0.2247   18.082 -158.3000  -0.54  -0.34   1.47   0.89 
1 1 1    7    6   34 o   15.039   0.4569   10.704 -57.2000   4.32  -5.54   1.30   2.93 
1 1 1    7    6   35 o   19.288   0.9075   21.027   41.400   7.15   7.21   0.56  -3.03 
1 1 1    7    6   36 o   13.898   0.2970   10.125 -64.6000  -0.30   0.61   0.31   0.05 
1 1 1    7    6   37 o   6.5771   0.9060   7.6557   64.800  -0.24  -0.26  -0.00  -0.01 
1 1 1    7    6   38 o   5.8583   1.5737   2.6610 -167.7000  -3.29   4.15   0.40   1.02 
1 1 1    7    7    0 o   50.373   0.3490   38.128   90.000  -0.00  -0.05   0.00   0.00 
1 1 1    7    7    1 o   17.145   2.0850   23.575  179.600 -24.12  -3.60  -4.81  -1.39 
1 1 1    7    7    2 o   8.9359   0.1607   16.274  167.600  -0.37  -0.28  -0.06  -0.42 
1 1 1    7    7    3 o   31.810   1.1897   35.258   56.700   6.93  10.66   1.31  -2.64 
1 1 1    7    7    4 o   46.417   0.2098   53.538  -2.9000  -0.14   0.10  -0.08   0.03 
1 1 1    7    7    5 o   44.204   1.2540   45.592   48.800 -18.54  18.97  -0.76  16.77 
1 1 1    7    7    6 o   65.333   0.9563   73.961 -112.0000   1.47  -6.66   1.56   0.92 
1 1 1    7    7    7 o   32.982   0.1750   31.534 -43.8000   0.57   1.54   0.95  -1.17 
1 1 1    7    7    8 o   50.790   3.5038   54.290 -85.7000 -11.22 -68.72  14.40  -5.18 
1 1 1    7    7    9 o   67.541   0.2932   54.100 -47.7000  -0.01  -0.02  -0.00   0.01 
1 1 1    7    7   10 o  128.606   2.0359  128.754 -170.5000  -7.75 -39.56  30.52  -8.03 
1 1 1    7    7   11 o   20.781   2.9336   29.244 -33.3000  48.48 -29.79  -6.20  12.46 
1 1 1    7    7   12 o   64.989   0.7743   53.728   10.500   0.58   6.78  14.76   0.55 
1 1 1    7    7   13 o   25.463   1.6393   15.093  111.400 -14.43  16.27   0.76   5.56 
1 1 1    7    7   14 o   89.271   0.7494   89.542   70.400  -0.05   0.89   0.51   0.42 
1 1 1    7    7   15 o   44.535   2.2909   42.009 -144.4000 -14.51 -12.69  -0.40  -4.52 
1 1 1    7    7   16 o   23.417   0.7950   21.623  160.800  -0.98   6.64   2.25   0.57 
1 1 1    7    7   17 o   45.404   0.7829   39.959 -133.4000 -11.60  -1.82  -3.80  -1.03 
1 1 1    7    7   18 o   15.517   0.8096   23.385 -25.3000   4.44  -4.12  -0.10   1.10 
1 1 1    7    7   19 o   59.705   0.8595   57.078  -3.3000   6.29   2.44  -1.23  -1.40 
1 1 1    7    7   20 o   20.318   2.0228   23.192  145.700  -8.85  18.40   2.83   3.74 
1 1 1    7    7   21 f   97.161   0.4253   95.266  128.100   0.74   3.68  -1.64 -11.24 
1 1 1    7    7   22 o   21.472   1.1420   29.232   31.600  11.91   5.66  -2.04  -2.64 
1 1 1    7    7   23 o   21.583   1.5193   22.682 -107.5000 -40.86  -4.87 -15.05  -3.25 
1 1 1    7    7   24 o   31.864   1.8957   27.207   39.700   9.25  85.92  22.22  -5.38 
1 1 1    7    7   25 o   33.692   0.9455   45.913  170.200 -15.71   4.61  -2.73   2.03 
1 1 1    7    7   26 o   9.1870   0.9671   11.384   71.000  -2.59  12.45   5.89   2.83 
1 1 1    7    7   27 o   19.113   0.5733   7.3077  172.200  -2.57  -3.91   1.01  -1.74 
1 1 1    7    7   28 o   12.625   0.2596   15.386 -45.2000   1.28   0.05  -0.97  -0.36 
1 1 1    7    7   29 o   19.721   0.2112   17.676 -106.5000   0.10   0.37   0.11  -0.00 
1 1 1    7    7   30 o   16.823   0.5230   18.459 -71.6000   1.62  -2.44   0.13   0.49 
1 1 1    7    7   31 o   24.610   1.1167   21.979 -160.2000 -30.81   5.96  -9.94   4.99 
1 1 1    7    7   32 o   29.535   0.2140   31.225  145.300  -0.81   1.20   1.60  -0.63 
1 1 1    7    7   33 o   7.7298   0.6943   5.9141  178.100  -4.16   1.63  -1.47   1.03 
1 1 1    7    7   34 o   12.483   0.2852   5.3767 -17.7000   0.17  -1.02   0.53  -0.09 
1 1 1    7    7   35 o   19.106   0.5465   19.345   66.600  -2.55   1.32  -0.73   0.57 
1 1 1    7    7   36 o   13.576   0.2955   14.612 -72.6000  -0.14  -0.79   0.19  -0.31 
1 1 1    7    7   37 o   14.315   0.3486   12.859 -173.7000   0.43  -0.09  -0.10  -0.05 
1 1 1    7    7   38 o   0.0000   2.5338  ?   ?   -0.02   0.67   0.25  -0.09 
1 1 1    7    8    0 o   22.260   0.2510   3.2025 -85.1000  -0.00  -0.14   0.00   0.00 
1 1 1    7    8    1 f   13.666   2.5520   16.243 -135.4000 -33.81 -28.45  -1.91 -10.40 
1 1 1    7    8    2 o   76.680   1.6504   66.550 -41.2000  13.31  -9.26  -1.36   5.91 
1 1 1    7    8    3 o   69.176   0.3029   75.526  158.100  -3.15  -9.54  20.67  -6.11 
1 1 1    7    8    4 o   90.418   0.6569   87.061   38.100   3.31  -1.36  -0.55  11.17 
1 1 1    7    8    5 o   37.298   0.1833   30.313   10.500  -0.01   0.96   1.56   0.64 
1 1 1    7    8    6 o   24.544   0.5871   25.526 -124.8000  -0.14  -2.42   0.57  -0.03 
1 1 1    7    8    7 o   59.052   0.8964   61.165 -64.8000  -7.81 -10.59   1.89  -9.83 
1 1 1    7    8    8 o   43.787   1.5664   51.233 -134.6000 -17.80  -5.36  -5.15  -3.09 
1 1 1    7    8    9 o   16.458   0.1519   27.068   9.5000   0.48  -2.21   5.53   3.22 
1 1 1    7    8   10 o   16.303   1.0000   14.443   59.800  -5.26   3.00  -0.60   0.98 
1 1 1    7    8   11 o   72.338   1.0850   69.074  151.200  -3.93   2.80  -0.33   0.76 
1 1 1    7    8   12 o   23.200   3.0624   11.843 -46.6000  72.80   7.44 -18.15  -3.60 
1 1 1    7    8   13 f   8.7349   1.0829   21.568 -20.5000  10.11  -5.52  -2.53   3.86 
1 1 1    7    8   14 f   8.6331   1.4697   30.390 -45.4000 -20.76  -7.16  -9.37  -7.06 
1 1 1    7    8   15 o   25.182   3.1406   21.253   21.500  19.96  21.86   0.49  -4.55 
1 1 1    7    8   16 o   48.013   1.1168   45.447 -32.2000   6.66 -23.12   5.90   3.45 
1 1 1    7    8   17 o   48.006   0.2379   44.354   86.200  -0.03   0.26  -1.97   1.58 
1 1 1    7    8   18 o   36.361   1.7220   30.575  130.200 -20.20  -4.08  -5.03  -2.34 
1 1 1    7    8   19 o   44.404   1.2536   45.515  125.600  -7.69   3.99  -1.63   2.78 
1 1 1    7    8   20 o   0.5739   1.0379   10.520 -42.7000  -0.03  -0.06   0.00   0.00 
1 1 1    7    8   21 o   22.259   0.2223   18.381 -28.9000  -1.04  -1.58   0.58  -2.38 
1 1 1    7    8   22 o   4.3580   0.6922   4.9282   9.2000   2.56   0.26  -0.82  -0.19 
1 1 1    7    8   23 o   36.107   0.4020   30.750  149.500  -1.00   3.05   1.26   1.37 
1 1 1    7    8   24 o   44.156   0.6448   36.748   13.100   4.80  17.55   4.10  -2.86 
1 1 1    7    8   25 o   30.429   0.6573   30.855   13.800   9.31  10.60   0.21  -4.08 
1 1 1    7    8   26 o   28.266   0.3079   28.499 -81.4000   2.23  -1.14  -0.17   0.32 
1 1 1    7    8   27 o   23.285   0.9433   20.098 -132.6000   2.82 -10.14   2.26   1.67 
1 1 1    7    8   28 o   22.629   1.2288   25.507 -20.6000  19.92   6.80  -3.76  -3.33 
1 1 1    7    8   29 f   13.443   1.3759   18.234   69.300  -1.99  31.43  10.54   1.84 
1 1 1    7    8   30 o   5.8712   0.8625   9.0373 -137.1000  -4.33  -3.78  -0.13  -1.88 
1 1 1    7    8   31 o   7.1483   0.4136   12.616 -138.0000  -1.33  -0.67  -0.29  -0.92 
1 1 1    7    8   32 o   15.964   0.5687   21.655 -16.2000   3.61  -1.81  -0.98   0.86 
1 1 1    7    8   33 o   14.906   0.2520   17.436  133.500   0.28   2.24   2.19  -2.31 
1 1 1    7    8   34 o   8.5118   0.4035   9.7449  174.300  -1.03  -0.56   0.14  -1.57 
1 1 1    7    8   35 o   13.795   0.3041   11.414   83.600   0.06   0.51   0.30   0.26 
1 1 1    7    8   36 o   14.241   0.2904   11.030 -11.1000   0.22  -0.17   0.18   0.03 
1 1 1    7    8   37 o   10.274   0.7133   10.971  138.000  -1.34   0.50  -0.18   0.07 
1 1 1    7    9    0 o   48.987   0.3053   43.567 -91.1000  -0.00  -0.01   0.00   0.00 
1 1 1    7    9    1 f   32.981   1.1890   22.411 -139.5000  -9.33   2.66  -3.51   2.44 
1 1 1    7    9    2 o   44.626   1.9378   56.968  157.700 -31.40  -4.65  -8.59  -2.91 
1 1 1    7    9    3 o   44.229   1.6427   44.979 -112.8000  -8.70 -11.21   0.93  -4.60 
1 1 1    7    9    4 o   56.356   0.4999   62.187 -59.8000  -0.86  -0.84  -1.58  -2.15 
1 1 1    7    9    5 o   53.004   2.5227   61.933 -163.8000 -43.93 -13.72  -9.16  -6.76 
1 1 1    7    9    6 o   44.158   0.2086   44.094  179.000   0.43   1.02   1.07  -0.55 
1 1 1    7    9    7 o   62.495   1.1055   75.359 -159.6000  -6.25  -1.44  -2.69  -1.01 
1 1 1    7    9    8 o   89.031   2.6100   79.254 -18.8000  18.32 -41.47  16.91  16.50 
1 1 1    7    9    9 o  104.922   1.1939  115.447 -82.3000  29.60  -9.28 -10.19   5.99 
1 1 1    7    9   10 o   47.482   1.5883   53.448 -117.4000  12.97 -38.88  15.02  11.96 
1 1 1    7    9   11 f   47.754   0.2230   46.446   45.000  -0.76   1.73   2.34  10.68 
1 1 1    7    9   12 o  103.594   1.8695  101.566 -27.4000  -4.96 -40.65  19.50  -6.64 
1 1 1    7    9   13 o   34.898   0.6576   31.996 -100.4000   3.65  -4.91   0.71   3.63 
1 1 1    7    9   14 o   50.487   1.2987   34.600  119.800  -3.44   5.98   0.84   1.85 
1 1 1    7    9   15 o   4.2584   0.5291   11.152   26.300   0.83  -0.11  -2.01   0.70 
1 1 1    7    9   16 o   6.5143   0.3748   16.911  116.800  -0.41   1.61   3.89   1.81 
1 1 1    7    9   17 f   32.812   1.2829   27.446 -87.8000   7.22   8.87   0.73  -2.87 
1 1 1    7    9   18 o   43.562   2.1049   26.300 -35.8000  31.40  -1.62  -8.42   0.55 
1 1 1    7    9   19 o   29.166   0.3706   34.311   2.8000   0.43  -2.12   1.33   0.95 
1 1 1    7    9   20 o   14.716   1.4395   5.7022 -74.3000   4.68 -22.97   5.83   2.37 
1 1 1    7    9   21 o   40.692   0.3687   37.939  108.800  -6.99  -1.73 -12.09 -10.23 
1 1 1    7    9   22 o   31.692   0.6673   36.764   22.300   1.83   3.96   0.54  -0.76 
1 1 1    7    9   23 o   15.327   0.2199   7.1294 -78.8000   1.79   0.86  -3.79 -14.95 
1 1 1    7    9   24 o   14.967   1.5944   8.9192 -78.7000   2.47 -31.56  10.16   1.90 
1 1 1    7    9   25 o   11.315   0.2643   3.7028   90.800   0.65   1.10   0.47  -1.73 
1 1 1    7    9   26 o   19.384   0.2627   21.024   13.600   0.65   2.17   3.09  -0.83 
1 1 1    7    9   27 o   22.455   1.1705   22.034  129.900 -22.22 -11.46  -4.92  -8.10 
1 1 1    7    9   28 o   6.6985   0.4520   5.0017 -71.2000  -0.31  -0.36   0.77  -0.75 
1 1 1    7    9   29 o   14.022   1.4810   14.379 -45.2000  14.12 -18.12   1.40   4.66 
1 1 1    7    9   30 o   8.8699   0.3236   9.6551   16.200  -0.28  -0.03  -0.19  -0.48 
1 1 1    7    9   31 o   8.0359   1.7484   9.9170  171.900 -16.34   4.19  -3.44   2.16 
1 1 1    7    9   32 o   22.209   0.3933   21.500  163.100  -0.80   1.99   0.98   0.28 
1 1 1    7    9   33 o   31.257   0.7575   33.209 -123.2000  -6.64  -6.51   0.58  -2.48 
1 1 1    7    9   34 o   20.065   0.2337   15.382 -54.6000   0.50  -0.09  -0.05   0.14 
1 1 1    7    9   35 o   4.1797   0.9950   10.778  105.800  -0.47   0.65   0.01   0.10 
1 1 1    7    9   36 o   11.271   0.3496   9.6799   44.400   1.00   0.30  -1.56   1.83 
1 1 1    7    9   37 o   1.4395   1.1978   9.8983 -32.6000  -0.00  -0.24   0.04  -0.22 
1 1 1    7   10    0 o   6.7897   0.3096   11.895   88.100   0.00   0.01   0.00   0.00 
1 1 1    7   10    1 o   23.645   0.4185   26.273 -46.4000  10.53   8.00  -4.08 -19.02 
1 1 1    7   10    2 o   71.959   0.5685   73.713 -71.2000   0.13   0.06   0.18   0.12 
1 1 1    7   10    3 o   18.849   2.3546   39.929 -118.0000  -1.60 -36.07   8.09  -0.63 
1 1 1    7   10    4 o   87.441   0.3635   98.463  112.700  -1.34  -0.73   0.06  -2.73 
1 1 1    7   10    5 o   43.634   0.8596   40.670   44.200   7.17  -2.35  -6.54   5.83 
1 1 1    7   10    6 o   60.837   0.9832   65.133  102.700   2.40   2.43  -1.27  -5.40 
1 1 1    7   10    7 o   62.461   0.2772   91.061  -7.7000   0.51   1.17   8.12   0.06 
1 1 1    7   10    8 o   49.254   1.0134   48.256   54.500  12.38   3.80  -3.24  -2.40 
1 1 1    7   10    9 o   66.356   1.2092   69.806 -174.3000  -4.91   6.62   2.18   4.91 
1 1 1    7   10   10 o   28.394   2.7797   35.334 -14.9000   2.59 -54.04  16.10   1.34 
1 1 1    7   10   11 o   90.353   1.1800   85.586   65.800   8.79   2.91  -5.44  -2.72 
1 1 1    7   10   12 o   17.120   2.3508   9.0785 -36.0000  21.06  29.70   3.38 -10.08 
1 1 1    7   10   13 o   33.223   1.4926   34.484 -70.5000  -1.92  -6.37   0.89  -0.53 
1 1 1    7   10   14 o   58.402   1.8303   61.669 -143.2000 -54.69  32.31 -11.50  22.48 
1 1 1    7   10   15 o   22.184   0.3839   15.307 -34.7000   0.70   0.53  -0.05  -0.25 
1 1 1    7   10   16 o   34.146   1.5099   41.199   1.1000   5.62  12.54   3.29  -3.35 
1 1 1    7   10   17 o   48.219   0.2644   46.809 -38.9000   0.24   0.51   0.03  -0.62 
1 1 1    7   10   18 f   62.913   1.0854   67.302  150.600  -8.19  -3.05  -2.06  -2.51 
1 1 1    7   10   19 o   30.628   0.2077   24.602  137.700  -0.77  -1.01   3.13  -2.52 
1 1 1    7   10   20 f   18.567   0.2009   4.4269  108.100  -1.83   0.85  -2.64   4.92 
1 1 1    7   10   21 o   42.887   0.7772   38.382 -75.4000   5.23  -2.60  -0.74   1.27 
1 1 1    7   10   22 o   15.618   1.2583   14.845 -90.7000 -11.94 -24.82   5.97  -7.83 
1 1 1    7   10   23 o   15.655   1.0207   19.695  170.700 -26.73 -11.04  -6.18  -5.89 
1 1 1    7   10   24 o   28.687   0.7809   23.332   30.800   9.29   1.52  -1.67  -0.42 
1 1 1    7   10   25 o   7.9632   1.1449   8.3120 -135.3000  -7.04  -7.90   0.40  -2.70 
1 1 1    7   10   26 o   17.868   0.2849   24.542 -77.9000   0.31  -1.42   0.73   0.70 
1 1 1    7   10   27 o   28.253   0.2099   26.516 -106.7000  -2.02   0.12  -2.31   3.15 
1 1 1    7   10   28 o   9.0440   0.5104   8.9671  135.200  -2.54   4.04   0.95   1.56 
1 1 1    7   10   29 o   8.0763   0.3595   15.930   29.900  -0.77   4.80   7.53   4.50 
1 1 1    7   10   30 o   10.976   0.2978   14.115 -179.9000  -0.80   1.04  -0.10   0.62 
1 1 1    7   10   31 o   18.452   0.4977   18.045 -73.2000   7.14  -0.89  -2.15   0.16 
1 1 1    7   10   32 o   26.913   0.2229   30.317  -4.7000   1.45  -0.41   5.61  -1.57 
1 1 1    7   10   33 o   5.5295   0.5625   3.4734 -107.6000  -0.15  -0.13   0.14  -0.10 
1 1 1    7   10   34 o   4.4254   1.2793   7.0190  171.100  -1.49  -2.20   0.25  -0.46 
1 1 1    7   10   35 o   4.9537   1.1003   9.9174  122.800   0.25   2.89   0.68  -0.02 
1 1 1    7   10   36 o   3.8207   0.8179   4.9315   25.300   0.07   0.34   0.04  -0.00 
1 1 1    7   10   37 o   2.2993   1.1940   2.1117 -57.2000   0.00   0.00   0.00   0.00 
1 1 1    7   11    0 o  114.453   0.6503  119.355 -89.9000  -0.00  -0.64   0.00   0.00 
1 1 1    7   11    1 o   47.155   1.3028   46.093 -43.1000  12.70  -6.59  -2.50   3.28 
1 1 1    7   11    2 o   63.777   0.7341   55.052 -179.5000  -4.91   4.32  -0.47   2.17 
1 1 1    7   11    3 f   94.419   0.4825   82.307 -101.5000  -1.60   0.46  -0.87   1.50 
1 1 1    7   11    4 o   51.072   2.2664   48.094  169.000 -34.57  13.61  -7.42   7.27 
1 1 1    7   11    5 o   44.311   1.8623   48.767   81.400  20.95  23.15   0.83 -11.39 
1 1 1    7   11    6 o  112.837   0.7944  109.774   95.400   0.07   0.20  -0.10  -0.11 
1 1 1    7   11    7 o   40.900   0.8135   34.862 -157.0000  -0.99  -2.67   1.72  -2.01 
1 1 1    7   11    8 o   57.360   2.4079   61.238   51.600  35.67  -8.31 -13.37   7.27 
1 1 1    7   11    9 o   13.674   1.3148   18.463  147.600  -8.17   7.19  -0.30   2.63 
1 1 1    7   11   10 o   65.863   3.5143   72.708 -64.0000  57.85 -61.87   0.79  17.55 
1 1 1    7   11   11 o   36.859   1.0157   33.374  -5.6000   5.22  -1.48  -1.56   1.17 
1 1 1    7   11   12 o   71.316   1.4300   75.761 -109.5000  -8.71  -6.54  -1.02  -2.45 
1 1 1    7   11   13 o   1.4380   0.9443   14.140  167.800   0.92  -2.03   0.27   0.32 
1 1 1    7   11   14 o   97.403   1.1096   87.850  111.100  -7.11   2.70  -4.57   2.42 
1 1 1    7   11   15 o   40.297   0.7961   31.348   41.000  -1.75   6.08   3.25   2.62 
1 1 1    7   11   16 o   26.100   1.8797   24.874  108.400  21.62  11.65  -3.33  -4.80 
1 1 1    7   11   17 o   51.952   0.7095   53.303 -85.2000  -5.85  -5.18  -0.71  -2.60 
1 1 1    7   11   18 o   9.0747   0.3660   19.422 -135.1000  -1.32   0.15  -0.71   0.23 
1 1 1    7   11   19 f   34.580   0.2116   29.681   24.300  -1.31  -2.74   1.81  -1.59 
1 1 1    7   11   20 o   39.799   1.5544   25.262  136.100 -28.89  27.39  -1.09  11.17 
1 1 1    7   11   21 o   20.591   1.4700   23.183  107.200 -20.82  17.67  -1.32   6.93 
1 1 1    7   11   22 o   19.571   1.3794   19.941 -179.0000 -21.26 -31.91   4.90 -10.98 
1 1 1    7   11   23 o   14.077   1.1866   15.202 -48.6000  12.39  28.36  13.33 -13.31 
1 1 1    7   11   24 o   22.955   1.3505   29.846 -158.3000 -19.01 -10.73  -2.31  -3.46 
1 1 1    7   11   25 o   1.5239   0.9159   7.0980   30.100   0.00  -0.25   0.47   0.19 
1 1 1    7   11   26 o   11.695   1.4314   10.926 -152.2000 -13.15 -15.41   0.46  -3.61 
1 1 1    7   11   27 o   6.9136   0.6151   11.647  144.600   1.78   2.48   0.19  -0.75 
1 1 1    7   11   28 o   8.9026   0.4875   10.583 -105.8000  -2.72  -2.26  -0.08  -1.56 
1 1 1    7   11   29 o   16.257   0.3742   16.615   17.000  -2.42  14.32  12.84   6.74 
1 1 1    7   11   30 o   18.566   0.2372   21.057   56.400  -0.77   1.79  -0.73   2.96 
1 1 1    7   11   31 o   9.5141   0.3555   5.0643 -62.0000   2.94  -0.77  -2.67   0.56 
1 1 1    7   11   32 o   8.7612   0.7935   12.533 -170.7000  -5.18   1.58  -0.99   0.85 
1 1 1    7   11   33 o   9.9443   0.9744   7.7746 -149.6000  -7.44  -5.48  -0.48  -2.70 
1 1 1    7   11   34 o   10.833   0.3424   9.7769 -50.7000  -3.65  -1.10  -2.75  -0.79 
1 1 1    7   11   35 o   2.4204   0.9961   1.0312   65.000  -0.13   0.22   0.00   0.04 
1 1 1    7   11   36 o   0.0000   2.4187  ?   ?   -0.27   0.03  -0.06  -0.01 
1 1 1    7   12    0 o   6.8557   0.3795   33.188   89.800   0.00   0.03   0.00   0.00 
1 1 1    7   12    1 o   8.7665   1.7614   22.577 -172.2000 -31.67  -1.36 -12.85  -1.02 
1 1 1    7   12    2 o   70.198   3.7966   74.379 -138.9000 -48.76 -35.43  -4.02 -11.40 
1 1 1    7   12    3 o   35.058   0.1818   44.453 -51.1000  -0.15   0.03   1.25  -1.22 
1 1 1    7   12    4 o   96.393   2.2721   84.607  158.300 -23.33   4.45  -5.75   2.81 
1 1 1    7   12    5 o   43.599   1.0229   30.482 -97.6000 -19.59 -11.08  -6.78 -12.58 
1 1 1    7   12    6 o   72.128   2.7621   55.344   42.200  18.75  20.98   0.43  -6.53 
1 1 1    7   12    7 o   55.086   1.1650   54.870   72.700  -5.89  10.30   0.90   1.68 
1 1 1    7   12    8 o   31.526   0.4535   35.552 -99.5000   8.10  -6.25  -1.52   4.91 
1 1 1    7   12    9 o   43.185   0.6811   45.368 -149.1000  -3.88   1.24  -3.97   4.78 
1 1 1    7   12   10 o   20.409   0.4891   22.611  134.700   0.95   7.44   5.85  -1.13 
1 1 1    7   12   11 o   35.319   1.1039   35.852   48.500  10.48  -4.86  -3.60   4.94 
1 1 1    7   12   12 f   7.8519   2.6626   19.720   89.200  10.04  24.92   2.50  -2.44 
1 1 1    7   12   13 o   39.234   1.2978   25.458 -171.1000 -24.93  14.57  -7.28  11.99 
1 1 1    7   12   14 o   70.026   1.8074   67.174 -152.0000  -7.94  -3.03  -1.25  -1.40 
1 1 1    7   12   15 o   21.125   1.0798   17.275   39.500   5.98   0.71  -1.68  -0.49 
1 1 1    7   12   16 o   28.904   1.2329   25.390   9.2000   1.94  15.19   8.69  -1.58 
1 1 1    7   12   17 o   7.6506   1.4859   17.195 -17.8000   1.79  -5.66   0.96   0.64 
1 1 1    7   12   18 o   67.511   1.5152   60.106  178.000 -18.03 -13.42  -1.13  -5.24 
1 1 1    7   12   19 o   24.371   0.5285   26.188   52.500   1.78   5.20   1.85  -1.73 
1 1 1    7   12   20 f   41.925   0.2580   38.121  159.300   1.35   4.42   2.52  -2.76 
1 1 1    7   12   21 o   23.936   0.3814   24.542 -101.2000  10.27  -8.47  -1.03   8.87 
1 1 1    7   12   22 o   42.548   0.5972   39.528 -110.6000  -1.35  -6.39   2.41  -1.81 
1 1 1    7   12   23 o   35.896   2.0066   31.592   13.500  38.37  14.73  -6.43  -6.42 
1 1 1    7   12   24 o   8.8499   1.0830   17.670  140.400 -14.01   4.07  -3.91   2.30 
1 1 1    7   12   25 o   21.767   0.6993   24.481 -149.5000  -5.62  -2.45  -1.22  -1.76 
1 1 1    7   12   26 o   21.446   0.7392   19.048 -25.1000   6.90   2.92  -1.36  -1.83 
1 1 1    7   12   27 o   7.6899   0.5771   9.3127 -142.0000  -1.37   2.09   0.24   0.44 
1 1 1    7   12   28 o   26.153   0.2135   23.692  132.600  -0.43   0.04  -0.14  -0.34 
1 1 1    7   12   29 o   7.9806   0.3991   4.3588  140.100  -0.15   0.31   0.01   0.02 
1 1 1    7   12   30 o   7.0443   0.4332   4.2754  174.900   0.23   0.21   0.24  -0.23 
1 1 1    7   12   31 o   8.6827   1.3498   8.1758 -125.9000  10.63  -9.50  -0.55   3.06 
1 1 1    7   12   32 o   15.636   0.7874   12.579 -73.6000  -1.78  -7.86   1.68  -1.18 
1 1 1    7   12   33 o   15.610   0.8894   17.604  151.000  -2.99  10.82   2.20   0.99 
1 1 1    7   12   34 o   4.0036   0.8093   7.8412 -127.8000  -0.17  -0.77   0.72   0.19 
1 1 1    7   12   35 o   10.082   0.4026   12.365  139.700   0.05   0.59   0.26   0.39 
1 1 1    7   12   36 f   4.8607   0.7621   7.9846  126.500   0.11   0.03  -0.00  -0.00 
1 1 1    7   13    0 o   57.204   0.3898   53.146 -90.3000   0.00   0.09   0.00   0.00 
1 1 1    7   13    1 o   69.620   0.6383   64.167 -25.1000  -1.93  -3.06   0.53  -2.18 
1 1 1    7   13    2 o   39.852   1.5040   35.276  167.400 -23.84  10.78  -5.90   6.33 
1 1 1    7   13    3 o   64.531   1.1980   61.073 -98.2000  -1.32 -10.20   2.14  -0.42 
1 1 1    7   13    4 o   26.949   0.2772   23.298   83.800  -2.34   1.45  -3.14  14.17 
1 1 1    7   13    5 o   36.790   0.4117   47.937   52.100   1.88   0.19  -1.78  -0.06 
1 1 1    7   13    6 o   17.178   0.3905   3.0741 -37.9000   1.74  -1.29  -0.33   0.85 
1 1 1    7   13    7 o   52.593   0.2820   71.288   14.100   0.50   2.59   0.71  -0.15 
1 1 1    7   13    8 o   13.822   2.2522   31.330   33.700  21.14   9.75  -3.21  -3.67 
1 1 1    7   13    9 o   24.795   0.3227   21.172 -118.2000  -3.11   1.04  -1.70   1.02 
1 1 1    7   13   10 f   34.491   0.6806   56.472 -103.6000  11.48  -5.56  -3.04   3.56 
1 1 1    7   13   11 f   30.049   0.8983   21.559 -120.2000  -8.50  -6.85  -0.58  -3.16 
1 1 1    7   13   12 o   52.509   0.3000   66.669 -175.2000   0.05  -1.84   1.60   0.51 
1 1 1    7   13   13 o   4.4627   1.9832   9.7133   90.100  -0.41   2.75   0.29   0.09 
1 1 1    7   13   14 o   53.450   1.0928   58.545  137.600  -8.40  -1.94  -4.19  -2.85 
1 1 1    7   13   15 o   10.104   1.9016   5.1238   16.600   0.37  14.91   3.97  -0.12 
1 1 1    7   13   16 f   35.698   0.8381   23.985 -98.1000   1.67  -2.56   0.28   1.08 
1 1 1    7   13   17 o   11.414   0.4890   6.2893 -167.6000  -1.84   2.93   0.59   1.12 
1 1 1    7   13   18 o   27.085   2.1721   20.062 -27.6000  71.91   9.65 -20.68  -6.16 
1 1 1    7   13   19 o   23.477   1.0336   16.308   97.700   2.81   8.94   1.40  -1.07 
1 1 1    7   13   20 o   32.595   0.2224   30.752   18.700   4.21  -3.29  -0.26   3.42 
1 1 1    7   13   21 o   20.739   0.4413   22.471   97.200  -4.55   2.00  -1.12   1.54 
1 1 1    7   13   22 o   22.691   0.5982   23.291  114.200   4.14  13.23   6.21  -5.21 
1 1 1    7   13   23 o   22.682   0.3934   27.673 -46.2000   0.07  -6.49   5.67  -0.95 
1 1 1    7   13   24 o   8.8532   1.8730   7.3010  113.000  -3.96  30.26   7.57   2.22 
1 1 1    7   13   25 o   30.845   1.4940   24.821   86.600 -11.36  32.20   7.76   5.23 
1 1 1    7   13   26 o   17.184   0.2236   19.925 -114.0000  -0.44  -0.68   0.02  -0.23 
1 1 1    7   13   27 o   17.594   0.2236   16.265 -129.4000  -1.77   0.25  -1.28   1.23 
1 1 1    7   13   28 o   24.756   0.8291   19.732 -123.6000   1.25 -12.01   4.44   1.71 
1 1 1    7   13   29 o   12.674   0.2727   15.064 -164.5000   0.66  -0.77   3.14  -0.52 
1 1 1    7   13   30 o   16.506   0.4437   17.564  -7.6000   2.55  -5.72   3.02   1.97 
1 1 1    7   13   31 o   24.779   0.3047   22.920 -131.7000   2.14  -3.30  -0.08   2.14 
1 1 1    7   13   32 f   6.9167   0.4989   3.3817 -25.4000   0.22  -0.15  -0.31  -0.39 
1 1 1    7   13   33 o   10.726   0.4572   8.8795  155.900  -2.74  -1.11  -0.62  -1.31 
1 1 1    7   13   34 o   9.8538   0.4095   10.875 -125.2000   0.52  -1.22   0.11   0.28 
1 1 1    7   13   35 o   12.220   0.5043   10.647 -92.3000  -0.01  -1.70   0.30   0.14 
1 1 1    7   14    0 o   24.546   0.2380   6.2142   88.300   0.00   0.16   0.00   0.00 
1 1 1    7   14    1 o   22.219   0.5855   15.817   80.800  -9.53   1.18 -17.75   6.39 
1 1 1    7   14    2 o   65.802   1.4342   59.921   56.200   8.71   9.71   0.49  -2.51 
1 1 1    7   14    3 o   33.102   1.0660   43.717 -11.8000   4.66  -5.88   0.75   2.42 
1 1 1    7   14    4 o   43.112   0.2119   41.975 -62.3000   2.86   0.27  -6.57  -4.68 
1 1 1    7   14    5 o   73.370   0.3158   75.198 -81.8000   0.05  -0.97   0.12   0.05 
1 1 1    7   14    6 o   27.309   2.0845   23.965   47.500  31.40   7.08 -10.05  -4.44 
1 1 1    7   14    7 o   23.870   0.9940   33.310   67.200   0.45  15.20   3.04  -0.13 
1 1 1    7   14    8 o   20.000   0.2103   32.043   16.500   0.23   0.53   0.65  -0.45 
1 1 1    7   14    9 o   35.333   0.2010   32.433 -80.8000  -0.33  -0.38 -12.07  10.96 
1 1 1    7   14   10 o   50.204   0.2436   47.966  164.500   3.62   4.85  11.67 -18.48 
1 1 1    7   14   11 o   27.683   0.8454   21.050   46.600   3.20   0.54  -0.43  -0.18 
1 1 1    7   14   12 o   26.380   1.3417   23.993 -67.8000   0.74 -13.86   4.20   0.62 
1 1 1    7   14   13 o   24.790   0.7275   33.917  127.300  -4.17   1.67  -1.49   1.14 
1 1 1    7   14   14 o   28.596   1.7442   23.636 -148.6000  -5.54   7.71   0.39   1.40 
1 1 1    7   14   15 o   42.928   0.4364   29.553 -138.1000 -20.80  10.67 -12.21  21.02 
1 1 1    7   14   16 o   42.980   0.4895   45.928 -10.1000   1.46   2.88   5.18  -3.41 
1 1 1    7   14   17 f   18.259   0.2033   19.037  101.500   0.02   0.62   2.82   2.54 
1 1 1    7   14   18 o   38.421   0.2201   41.054 -171.3000  -0.41   0.35   1.16   0.65 
1 1 1    7   14   19 o   18.785   0.6538   19.997   36.000  10.11  -2.31  -2.46   1.05 
1 1 1    7   14   20 f   8.1925   0.7773   9.7742   56.400   3.86   4.98   0.47  -2.28 
1 1 1    7   14   21 o   31.324   0.4773   38.937 -141.0000  -5.14   0.77  -2.27   0.26 
1 1 1    7   14   22 o   25.338   0.2052   21.063 -64.4000  -0.92  -0.48  -0.36  -0.24 
1 1 1    7   14   23 f   2.4413   1.1515   3.6372 -45.6000  -1.46   0.87  -0.30   0.72 
1 1 1    7   14   24 o   22.783   0.2443   18.150 -65.9000  -4.14  -0.16  -2.86  -1.14 
1 1 1    7   14   25 o   25.978   0.5795   22.584 -137.3000  -5.45   2.48  -1.40   1.10 
1 1 1    7   14   26 o   12.042   0.7760   13.741   18.300   8.48  -2.94  -2.46   1.59 
1 1 1    7   14   27 o   7.6267   0.3878   6.6820 -159.3000   0.32   0.08  -0.69   0.62 
1 1 1    7   14   28 o   9.6203   0.7817   9.1962 -152.9000  -5.51  -3.36  -0.66  -1.99 
1 1 1    7   14   29 o   10.181   0.3240   8.2712  -4.4000  -0.07  -0.18   0.13   0.09 
1 1 1    7   14   30 o   8.2501   0.4098   7.9394  171.300  -0.52  -0.24  -0.04  -0.31 
1 1 1    7   14   31 o   5.1351   0.6720   8.3885 -52.5000   1.71  -0.54  -0.30   0.33 
1 1 1    7   14   32 o   15.296   0.6572   15.579 -53.6000  -0.98  -5.64   1.04  -0.60 
1 1 1    7   14   33 o   22.974   0.2335   20.621  145.900  -0.02   0.27  -0.03  -0.08 
1 1 1    7   14   34 o   12.102   0.3808   12.977 -132.6000  -0.79  -2.36   1.48  -0.13 
1 1 1    7   15    0 o   0.0000   2.8461   18.205 -87.6000  -0.00  -0.00   0.00   0.00 
1 1 1    7   15    1 o   30.348   0.1845   35.272   23.000   0.26   0.05   2.53   1.37 
1 1 1    7   15    2 f   44.450   0.3026   36.476   49.200  -0.64   3.65   1.59   0.78 
1 1 1    7   15    3 o   34.201   0.5202   34.558 -114.8000   3.08   0.76  -0.93  -0.40 
1 1 1    7   15    4 o   7.6052   0.4791   9.0479 -66.7000   0.44  -0.06  -0.03   0.01 
1 1 1    7   15    5 o   7.9178   0.5643   13.126   33.700   1.94   7.11   4.13  -2.32 
1 1 1    7   15    6 o   38.366   1.3299   32.479 -53.6000  10.44 -10.92   0.21   2.86 
1 1 1    7   15    7 o   9.9405   0.5391   4.8129   91.700   9.10  -2.28  -5.70   2.89 
1 1 1    7   15    8 o   27.144   0.4789   28.696  103.800  -4.18   1.11  -1.79   0.83 
1 1 1    7   15    9 o   50.222   1.4908   54.901 -128.5000  -5.00 -12.16   2.06  -2.33 
1 1 1    7   15   10 f   40.547   1.8995   37.410 -97.3000  -5.40 -14.02   1.84  -1.82 
1 1 1    7   15   11 o   39.555   0.3028   44.967 -165.4000   0.35  -0.86   0.05   1.43 
1 1 1    7   15   12 o   0.0000   2.4219  ?   ?    0.00   0.00   0.00   0.00 
1 1 1    7   15   13 o   21.877   0.7702   15.051 -29.5000   1.98  -3.30   0.43   0.99 
1 1 1    7   15   14 o   48.775   0.3819   51.395 -112.0000  -2.24  -0.04  -1.93  -0.80 
1 1 1    7   15   15 o   40.331   0.2229   43.151 -169.0000  -0.05  -1.40   0.64  -0.22 
1 1 1    7   15   16 o   25.577   0.1904   28.894 -17.8000  -0.09   0.27   0.43  -0.10 
1 1 1    7   15   17 o   28.702   1.2921   21.109   25.600  17.27  26.97   4.47 -10.93 
1 1 1    7   15   18 o   24.333   1.2004   10.480 -113.4000 -15.54 -34.09   6.25  -7.66 
1 1 1    7   15   19 o   22.264   0.1987   19.215  151.800  -0.11   0.06  -0.08  -0.22 
1 1 1    7   15   20 o   36.862   0.2521   29.923 -23.2000   1.39   2.65   0.32  -3.99 
1 1 1    7   15   21 o   26.981   0.3928   23.838   42.000   8.74  -5.59  -5.28   7.45 
1 1 1    7   15   22 o   38.238   1.3733   37.211  134.200 -16.90  28.04   4.81   7.17 
1 1 1    7   15   23 o   25.563   1.2171   18.986 -26.0000  27.15  -6.03  -7.20   4.07 
1 1 1    7   15   24 o   17.139   0.2546   15.814   15.700   1.43   4.81   5.98  -1.77 
1 1 1    7   15   25 f   14.559   1.5256   4.5869   96.700  14.72  23.74   2.52  -5.79 
1 1 1    7   15   26 o   4.5164   0.6658   4.6280 -158.3000   1.18  -0.84  -0.23   0.41 
1 1 1    7   15   27 f   12.028   0.3165   15.614   69.000   0.12   0.10  -0.03  -0.01 
1 1 1    7   15   28 o   14.851   1.3245   14.880 -142.5000  -2.23 -22.65   6.85  -0.71 
1 1 1    7   15   29 o   11.126   0.3224   11.288 -136.2000  -1.02   0.35  -0.76   0.06 
1 1 1    7   15   30 o   6.4177   0.4891   5.4869  -7.3000   0.29   0.45  -0.95   2.59 
1 1 1    7   15   31 o   3.4236   0.8530   5.3192 -167.5000  -0.26  -0.19   0.05  -0.14 
1 1 1    7   15   32 o   13.678   1.0901   13.790   77.700   4.48   9.95   1.37  -1.19 
1 1 1    7   15   33 o   8.2914   0.7515   14.727 -81.3000  -0.34  -2.69   0.49  -0.28 
1 1 1    7   15   34 o   13.269   0.5850   15.388 -145.4000   1.51  -6.02   1.99   2.97 
1 1 1    7   16    0 f   15.582   0.3360   20.560 -90.1000   0.00   0.08   0.00   0.00 
1 1 1    7   16    1 o   49.579   0.4787   45.923   87.100  -8.42   2.28  -3.92   2.81 
1 1 1    7   16    2 o   61.299   1.2948   53.908   86.200  19.49  15.85  -2.49  -9.19 
1 1 1    7   16    3 o   29.141   1.6071   17.594  -8.5000  27.92 -35.78   3.56  13.26 
1 1 1    7   16    4 o   95.423   0.4033   93.062 -69.4000  -3.05  -1.89  -5.36  -1.84 
1 1 1    7   16    5 o   53.480   1.5124   61.142 -117.6000 -21.11  -3.43  -5.78  -1.53 
1 1 1    7   16    6 o   22.308   2.4068   22.054   65.700  41.63  17.32  -8.39  -8.15 
1 1 1    7   16    7 o   10.666   0.6295   22.441 -118.1000  -1.51  -1.57   0.06  -0.64 
1 1 1    7   16    8 o   47.344   0.5807   24.271   82.300   0.39  -0.09  -0.02   0.01 
1 1 1    7   16    9 o   16.498   0.4077   12.343 -162.2000   0.12  -0.02  -0.02  -0.00 
1 1 1    7   16   10 o   42.384   1.8765   37.471 -139.6000 -17.48 -11.63  -2.18  -4.40 
1 1 1    7   16   11 o   43.709   0.8003   39.721 -164.8000  -6.32  -0.60  -2.38  -0.09 
1 1 1    7   16   12 o   12.111   0.6253   15.147  151.800   5.74   7.56   1.22  -5.04 
1 1 1    7   16   13 o   15.686   0.3295   19.398   49.100   2.92   0.01  -1.90   0.15 
1 1 1    7   16   14 o   15.397   0.4235   9.8430 -80.4000   0.79  -0.74  -0.02   0.12 
1 1 1    7   16   15 o   54.599   0.3728   47.561 -153.2000  -2.18   0.82   3.87   9.15 
1 1 1    7   16   16 o   26.486   0.2330   30.933 -139.7000  -1.48   1.35   0.45   2.12 
1 1 1    7   16   17 o   9.4634   0.4359   13.982  102.900  -4.95   1.99  -1.80   1.55 
1 1 1    7   16   18 o   25.070   0.5192   25.127  169.400  -7.77  -3.81  -4.22  -4.05 
1 1 1    7   16   19 o   9.6150   0.3180   10.611   75.200   0.04  -0.09  -0.50  -0.43 
1 1 1    7   16   20 o   6.5530   0.5325   16.063 -131.2000  -0.94   0.63  -0.07   0.13 
1 1 1    7   16   21 o   8.5877   1.3334   6.5986  124.400 -12.01  -6.55  -1.41  -2.38 
1 1 1    7   16   22 o   8.4126   0.3494   6.1057 -174.9000  -0.38  -0.45  -0.87  -1.39 
1 1 1    7   16   23 o   24.345   0.6665   25.657 -145.0000  -7.62   8.54   1.17   4.32 
1 1 1    7   16   24 o   13.075   0.2844   5.0968 -64.3000   0.73  -0.66   0.26   0.65 
1 1 1    7   16   25 f   11.748   0.4983   2.2938 -130.0000  -2.04   5.81   2.30   2.58 
1 1 1    7   16   26 o   18.063   0.4106   14.143  131.600  -5.26  -0.66  -1.63   0.04 
1 1 1    7   16   27 o   10.651   0.3217   5.1676 -108.9000  -0.46   0.29  -0.35   0.13 
1 1 1    7   16   28 o   12.942   0.4158   10.570 -119.1000  -1.87  -1.05  -0.17  -0.87 
1 1 1    7   16   29 o   14.973   1.0832   10.753 -37.3000   8.13  -5.45  -0.82   1.43 
1 1 1    7   16   30 o   14.971   0.4211   18.376 -144.7000  -0.75   0.50  -0.08   0.09 
1 1 1    7   16   31 o   14.946   0.8646   18.210 -23.6000   7.03  -8.61   1.21   2.95 
1 1 1    7   16   32 o   20.441   0.2504   18.944 -28.9000   1.82   0.16   2.93  -2.86 
1 1 1    7   16   33 o   4.3915   0.8120   5.3617  152.300   0.03  -0.06  -0.01  -0.01 
1 1 1    7   17    0 o   27.659   0.3675   37.210   90.900   0.00   0.00   0.00   0.00 
1 1 1    7   17    1 o   20.430   0.8954   17.638   53.900   7.41   4.02  -1.79  -2.48 
1 1 1    7   17    2 o   21.300   0.5749   3.7420 -139.7000   2.21   0.20  -0.71  -0.20 
1 1 1    7   17    3 o   24.670   0.4625   25.510  178.800   1.34  -0.36  -0.35   0.15 
1 1 1    7   17    4 o   30.776   1.2463   27.587   1.0000   0.12   2.26   0.16  -0.01 
1 1 1    7   17    5 o   36.246   0.8635   32.106  139.600  -5.39  -0.97  -1.41  -0.33 
1 1 1    7   17    6 o   30.278   1.1697   32.532   69.700   5.65   1.97  -0.70  -0.65 
1 1 1    7   17    7 o   8.6314   3.7068   27.030   74.900   5.88  11.67   0.59  -0.81 
1 1 1    7   17    8 o   20.267   0.4941   23.245  160.600  -0.54   0.10  -0.06   0.03 
1 1 1    7   17    9 o   27.033   2.3192   24.535  173.200 -22.92   9.99  -2.79   2.82 
1 1 1    7   17   10 o   24.631   0.2025   24.447 -153.5000  -0.12   0.26  -1.63   1.37 
1 1 1    7   17   11 o   57.860   0.2815   39.848  153.500  -0.63  -0.07  -0.19  -0.86 
1 1 1    7   17   12 o   21.688   0.5189   21.199   93.400   3.31   3.71   0.26  -1.35 
1 1 1    7   17   13 o   10.264   0.7897   15.645   12.900   5.59   1.74  -0.98  -0.72 
1 1 1    7   17   14 o   27.806   1.2238   19.112  172.800 -18.01  10.95  -2.00   3.51 
1 1 1    7   17   15 o   52.682   0.7545   48.981 -150.2000  -2.38  -3.74   0.24  -1.47 
1 1 1    7   17   16 o   17.754   0.4304   21.928  141.600   0.58   3.17   1.13  -0.56 
1 1 1    7   17   17 o   18.946   0.5427   21.757   50.200   3.67   1.24  -1.20  -0.69 
1 1 1    7   17   18 o   26.163   0.5286   28.435  165.100   0.44  16.52   9.10   0.59 
1 1 1    7   17   19 o   5.6366   0.4883   15.942   77.800   0.15   0.40   0.61  -0.19 
1 1 1    7   17   20 o   17.253   0.9816   21.693 -120.6000  -7.34  -9.39   0.67  -2.06 
1 1 1    7   17   21 o   16.778   0.3221   15.804  154.900  -3.31  -3.02  -0.57  -1.95 
1 1 1    7   17   22 o   21.311   0.2155   18.470 -169.6000  -0.29   0.60   0.19   0.08 
1 1 1    7   17   23 o   8.6912   1.0250   7.8022  131.700 -12.15  -0.47  -3.48  -0.50 
1 1 1    7   17   24 o   2.7761   1.3002   3.6133 -111.0000   1.08  -0.72  -0.12   0.56 
1 1 1    7   17   25 o   17.206   0.6129   16.436 -70.5000   4.41   0.07  -0.90  -0.27 
1 1 1    7   17   26 f   25.169   0.2161   15.129  152.200  -1.38  -1.74  -0.16  -0.60 
1 1 1    7   17   27 o   11.428   1.4352   13.501   39.200  16.15  15.33   0.19  -5.84 
1 1 1    7   17   28 o   15.851   0.2657   16.135 -168.4000  -1.33   0.87   3.31   2.49 
1 1 1    7   17   29 o   0.0000   2.3045  ?   ?   -0.05  -0.09   0.04  -0.01 
1 1 1    7   17   30 o   3.0586   1.4324   2.5180  141.400   0.96  -0.12  -0.08   0.03 
1 1 1    7   17   31 o   6.1665   0.7215   4.7139  111.300   1.68   1.24  -0.15  -0.28 
1 1 1    7   17   32 o   2.5826   1.0627   3.0863   37.000   0.58   0.29   0.11  -0.40 
1 1 1    7   18    0 o   41.307   0.3350   35.229 -90.2000  -0.00  -0.13   0.00   0.00 
1 1 1    7   18    1 o   54.062   0.3508   47.571  115.100   6.81   7.08  -0.63  -4.41 
1 1 1    7   18    2 o   30.616   0.5055   32.030  154.400  -1.48   0.16  -0.84  -0.05 
1 1 1    7   18    3 o   39.717   1.4352   34.684  134.000 -10.69   6.04  -2.15   2.92 
1 1 1    7   18    4 o   47.120   0.4841   43.569 -46.9000   4.70   1.18  -4.37  -5.30 
1 1 1    7   18    5 o   41.782   1.4413   33.925  125.100 -14.20   2.85  -2.48   1.25 
1 1 1    7   18    6 o   18.182   0.2538   21.685  105.100   6.18   2.22  -9.37  -6.15 
1 1 1    7   18    7 f   25.262   2.6469   31.566 -159.0000 -59.48 -86.10  10.19 -25.79 
1 1 1    7   18    8 o   23.966   0.1979   27.269  169.200  -0.26   0.68   0.14   0.09 
1 1 1    7   18    9 o   62.637   1.4855   51.642  100.200 -18.74  17.48  -1.73   9.92 
1 1 1    7   18   10 o   13.128   0.3233   27.487 -105.1000  -3.97   1.40  -2.24   2.17 
1 1 1    7   18   11 o   23.323   0.4446   28.099  163.400  -0.84  -4.85   2.00  -0.97 
1 1 1    7   18   12 o   35.466   1.2760   29.427  157.500 -23.69  -1.60  -6.15  -1.21 
1 1 1    7   18   13 o   50.071   0.9677   51.302   3.3000  12.63  -5.83  -2.55   4.12 
1 1 1    7   18   14 f   24.726   0.4195   27.110 -64.1000  -1.45  -2.84   0.93  -2.03 
1 1 1    7   18   15 o   17.094   0.3449   18.763 -134.9000  -4.90   0.32  -2.08   0.03 
1 1 1    7   18   16 o   13.857   0.2520   25.130  162.800  -0.07   0.00   0.15   0.06 
1 1 1    7   18   17 o   17.844   0.2254   8.9457   14.700   0.33  -0.62   1.04   0.28 
1 1 1    7   18   18 f   21.474   0.2123   14.210  121.800   0.21   0.05   0.36   0.05 
1 1 1    7   18   19 o   26.391   0.4610   16.136 -60.0000  -0.43  -3.55   1.92  -1.35 
1 1 1    7   18   20 o   28.838   0.6324   16.998 -144.9000  -9.90  -5.70  -1.52  -4.39 
1 1 1    7   18   21 f   10.203   0.3458   9.0060   31.300   0.01   0.38   0.23  -0.42 
1 1 1    7   18   22 o   9.3013   0.3636   3.9098 -152.4000  -0.35  -0.23  -1.39   1.12 
1 1 1    7   18   23 o   17.811   0.4346   24.046 -112.6000  -5.66  -2.27  -2.43  -1.49 
1 1 1    7   18   24 o   4.0321   0.6626   1.0273 -80.4000  -0.07   0.11  -0.04   0.06 
1 1 1    7   18   25 o   8.5874   0.3842   9.8244   27.100   0.87  -1.20   3.33   1.34 
1 1 1    7   18   26 o   12.176   0.3082   13.967  151.900   0.99   0.36  -0.06  -0.96 
1 1 1    7   18   27 f   17.091   0.4081   19.345 -141.0000   1.50  -5.85   2.15   2.25 
1 1 1    7   18   28 o   1.5042   1.0765   2.9595  165.800   0.05  -0.05  -0.03   0.01 
1 1 1    7   18   29 o   14.954   0.3076   9.8965 -89.1000  -2.34   1.15   0.76   3.85 
1 1 1    7   18   30 o   11.436   0.5440   10.498  155.900   0.61  -0.65  -0.04   0.11 
1 1 1    7   18   31 o   6.7202   0.9186   7.6636 -88.5000  -0.34  -0.91   0.04  -0.06 
1 1 1    7   18   32 o   8.3631   0.5089   8.2511 -30.9000   0.18  -0.32   0.09  -0.02 
1 1 1    7   19    0 o   24.751   0.2816   21.401   89.600   0.00   0.19   0.00   0.00 
1 1 1    7   19    1 o   21.663   1.6183   29.235   72.000  61.96  29.08 -15.03 -17.45 
1 1 1    7   19    2 o   47.422   0.4852   48.019  175.300  -1.81   4.04   0.39   0.36 
1 1 1    7   19    3 o   12.553   0.4222   6.7032 -51.2000  -0.84  -0.18  -0.12  -0.06 
1 1 1    7   19    4 o   22.030   0.2083   28.473 -28.5000  -0.17   1.49   1.06   0.05 
1 1 1    7   19    5 o   15.419   0.2812   4.6534 -133.5000  -3.61   3.95   0.28   1.98 
1 1 1    7   19    6 o   41.107   0.4373   33.234   57.700  -0.01   0.28  -0.12   0.40 
1 1 1    7   19    7 o   16.881   0.3681   10.242   12.900   3.83   1.34  -1.47  -0.96 
1 1 1    7   19    8 o   26.715   0.2514   22.441  148.200  -0.11   3.13   0.99  -0.06 
1 1 1    7   19    9 o   12.204   0.2676   12.772 -152.7000   0.05   0.04   0.02   0.35 
1 1 1    7   19   10 o   19.672   0.2144   26.981 -112.8000  -0.53   0.12  -0.48   1.38 
1 1 1    7   19   11 o   47.501   0.4792   32.413 -164.5000  -0.47  -1.52   0.51  -0.09 
1 1 1    7   19   12 o   10.421   0.3238   5.3495 -156.1000   0.03   0.87   0.43  -0.11 
1 1 1    7   19   13 o   2.6290   0.8245   11.476 -24.0000   0.27   0.69   0.49  -0.33 
1 1 1    7   19   14 f   25.171   0.6355   35.851   79.700  -0.44   3.36   0.43   0.17 
1 1 1    7   19   15 o   33.729   0.3218   25.746 -141.1000  -6.44   0.90  -2.14   0.16 
1 1 1    7   19   16 o   17.217   1.1167   15.985 -124.4000  14.93 -23.85   3.23   7.58 
1 1 1    7   19   17 o   9.7019   0.7517   7.3107  -0.2000   4.00  -1.91  -0.49   0.73 
1 1 1    7   19   18 o   10.062   0.3279   8.5012   19.400  -0.01  -0.66   0.61  -0.38 
1 1 1    7   19   19 o   16.660   0.5347   14.765  109.500   7.88   3.86  -1.61  -2.76 
1 1 1    7   19   20 o   7.3971   0.4194   9.3252  163.900  -0.14  -0.18  -0.08  -0.13 
1 1 1    7   19   21 o   10.116   1.4449   5.4268 -45.9000 -12.09 -16.96   1.40  -4.92 
1 1 1    7   19   22 o   9.9348   0.3415   11.015 -52.6000   0.10  -0.13  -0.01   0.03 
1 1 1    7   19   23 o   12.979   0.3240   15.741  145.600   1.52   4.00   1.34  -3.07 
1 1 1    7   19   24 o   19.313   0.2388   14.916 -94.3000   0.02   0.13   0.00  -0.02 
1 1 1    7   19   25 f   4.9157   0.7336   5.5170 -115.3000  -1.22  -0.96  -0.13  -0.27 
1 1 1    7   19   26 o   3.9147   0.7480   2.6242 -28.4000  -0.02   0.59   0.17   0.09 
1 1 1    7   19   27 o   9.0701   0.7498   12.429   43.000   4.11   5.00   0.76  -1.83 
1 1 1    7   19   28 o   9.3312   0.4129   8.8180  120.000  -0.12   0.05   0.06  -0.06 
1 1 1    7   19   29 o   8.7998   0.6670   8.0130  136.500   1.12   4.55   1.17  -1.14 
1 1 1    7   19   30 o   0.0000   2.5431  ?   ?   -0.17  -0.04  -0.02  -0.04 
1 1 1    7   19   31 o   0.0000   2.6151  ?   ?    0.00   0.03  -0.00   0.01 
1 1 1    7   20    0 f   12.100   0.4075   15.734 -88.3000  -0.00  -0.05   0.00   0.00 
1 1 1    7   20    1 o   21.542   1.4064   11.773   1.7000  38.92  18.25  -7.99  -9.07 
1 1 1    7   20    2 o   23.646   0.6799   18.849 -77.3000  -0.80  -9.07   1.95  -0.47 
1 1 1    7   20    3 o   6.5200   1.0903   22.231   17.000   0.94   5.24   1.14  -0.38 
1 1 1    7   20    4 o   15.784   0.7501   18.562 -62.7000   6.69  -4.47  -1.37   2.82 
1 1 1    7   20    5 o   30.877   0.2205   25.541 -38.2000  -3.25  -4.07  -1.00 -10.21 
1 1 1    7   20    6 f   25.355   0.4219   21.410 -159.5000  -2.08   0.32  -0.88   0.09 
1 1 1    7   20    7 o   35.794   0.7141   24.518 -89.2000  -8.74  -8.00   0.32  -6.10 
1 1 1    7   20    8 o   15.478   0.2485   4.9224   10.300   2.36   2.66   2.96  -7.62 
1 1 1    7   20    9 o   8.4510   1.3236   6.9003   81.800   5.41 -16.01   2.74   1.99 
1 1 1    7   20   10 o   19.130   0.2178   27.602 -110.9000  -1.47  -0.02  -0.38   0.07 
1 1 1    7   20   11 o   13.976   1.2259   19.681 -71.2000  13.05 -11.76  -0.66   4.47 
1 1 1    7   20   12 o   21.988   0.2139   30.332   60.600   1.67  -0.02  -0.80   0.26 
1 1 1    7   20   13 o   24.511   0.9738   25.483 -73.3000   1.69  -9.53   1.73   0.83 
1 1 1    7   20   14 o   7.7794   0.8153   15.634 -74.4000   0.15  -0.84   0.03   0.01 
1 1 1    7   20   15 f   40.062   0.4323   19.504 -57.2000   2.71   2.39  -1.09  -1.39 
1 1 1    7   20   16 o   11.462   0.5925   13.359  100.600  -1.49  -0.13  -0.17  -0.01 
1 1 1    7   20   17 o   17.940   0.4411   21.751 -131.2000  -5.76  -1.78  -2.97  -1.22 
1 1 1    7   20   18 o   16.400   0.2935   14.637  133.800  -3.11   0.08  -1.61  -0.37 
1 1 1    7   20   19 o   4.2387   0.9088   12.623 -19.6000   1.15  -2.23   0.57   0.60 
1 1 1    7   20   20 o   15.803   0.7493   18.438 -18.5000   6.53   1.42  -1.02  -0.33 
1 1 1    7   20   21 o   14.295   0.3992   13.261  149.200   0.45   7.45   3.67  -1.14 
1 1 1    7   20   22 o   13.823   0.3966   13.892 -33.5000   3.06  -0.11  -0.95  -0.28 
1 1 1    7   20   23 f   1.9678   1.1352   5.7533 -84.8000   0.22  -0.79   0.21   0.24 
1 1 1    7   20   24 o   16.452   0.7629   12.303   14.600  11.03   4.85  -3.34  -2.47 
1 1 1    7   20   25 o   0.0000   2.4117  ?   ?    0.07   0.08   0.09   0.15 
1 1 1    7   20   26 f   8.9999   0.6305   8.6764  112.400   0.42   1.38   0.10  -0.11 
1 1 1    7   20   27 o   22.203   0.2521   20.318 -122.9000  -0.54  -0.98   0.90   0.85 
1 1 1    7   20   28 o   11.425   0.3621   10.050 -22.4000   0.59   0.99  -0.16  -0.53 
1 1 1    7   20   29 f   11.176   0.3896   5.5979   19.100  -0.12   0.30  -0.19   0.02 
1 1 1    7   20   30 f   0.0000   2.5999  ?   ?    0.05   0.09   0.00  -0.00 
1 1 1    7   21    0 o   15.495   0.3347   10.720 -91.5000   0.00   0.13   0.00   0.00 
1 1 1    7   21    1 o   25.731   0.6057   30.052   26.000  21.01 -15.80  -2.43  10.97 
1 1 1    7   21    2 o   23.687   0.4094   23.057  175.500 -10.18  -7.96  -1.03  -3.24 
1 1 1    7   21    3 o   32.407   0.7718   28.703 -78.0000 -13.55 -15.64   0.38  -5.06 
1 1 1    7   21    4 o   10.924   0.3139   3.8003   79.700  -1.08   0.85   0.17   2.44 
1 1 1    7   21    5 o   27.593   0.7533   22.095   3.0000   9.24  -0.29  -2.59  -0.08 
1 1 1    7   21    6 o   19.093   1.1456   24.671  122.400 -13.29   8.71  -1.85   3.63 
1 1 1    7   21    7 o   19.094   0.2266   32.767 -54.7000  -0.03  -0.54   0.45  -0.57 
1 1 1    7   21    8 o   14.053   0.2607   19.199 -154.5000  -0.90  -1.13   1.35  -1.86 
1 1 1    7   21    9 o   29.666   0.3178   29.265 -47.8000   0.97   0.09  -0.48  -2.01 
1 1 1    7   21   10 f   27.043   1.2402   24.762 -167.9000 -27.21  -4.12  -5.35  -1.28 
1 1 1    7   21   11 o   15.938   0.7651   11.618 -111.4000   1.84 -13.06   5.46   2.11 
1 1 1    7   21   12 o   9.9098   0.3465   23.253   91.000   0.58   1.23   0.61  -3.09 
1 1 1    7   21   13 o   9.0940   0.4506   13.650 -18.5000   2.46   2.62   0.50  -1.99 
1 1 1    7   21   14 o   14.768   0.4655   19.247  103.700   0.41   2.89   0.91  -0.09 
1 1 1    7   21   15 o   7.9671   0.4218   13.764 -116.2000  -0.30   0.22   0.95   0.44 
1 1 1    7   21   16 o   12.121   0.3572   8.3244 -124.0000   0.11  -2.13   0.86   0.36 
1 1 1    7   21   17 o   9.6753   0.4791   3.9942   96.500   0.93   3.35   1.14  -1.05 
1 1 1    7   21   18 o   17.796   0.4573   17.853   68.300   4.09   2.88  -1.10  -1.65 
1 1 1    7   21   19 o   8.4352   0.5003   12.705  138.000   0.06   2.93   1.00  -0.26 
1 1 1    7   21   20 o   15.083   0.3984   10.033  109.700   1.09   0.82   0.04  -0.24 
1 1 1    7   21   21 o   15.124   0.4152   10.468 -100.2000  -2.27  -3.28   0.07  -1.33 
1 1 1    7   21   22 o   9.1379   0.3825   8.5171  164.000   1.18   2.28   0.29  -0.84 
1 1 1    7   21   23 o   10.322   0.3701   13.770  150.800  -2.77  -1.44   1.04  -6.25 
1 1 1    7   21   24 f   10.492   0.3650   11.410 -104.5000  -0.45  -0.52  -1.01   0.04 
1 1 1    7   21   25 o   15.029   0.3181   11.593 -60.2000   2.01  -0.19  -0.46   0.35 
1 1 1    7   21   26 o   8.3843   0.4664   11.400 -58.1000   0.22  -0.04   0.01   0.06 
1 1 1    7   21   27 o   12.827   0.4547   12.051   31.300   2.05   2.32   0.68  -0.96 
1 1 1    7   21   28 o   3.0954   1.4495   1.1634   33.000   0.22  -0.36   0.02   0.02 
1 1 1    7   21   29 o   8.9688   0.9645   8.9848  172.900  -3.84  -4.23   0.64  -1.30 
1 1 1    7   22    0 o   1.7029   1.2718   4.2717 -89.6000   0.00   0.02   0.00   0.00 
1 1 1    7   22    1 o   17.655   0.2365   26.254   65.500  -1.36   1.25  -3.23   4.03 
1 1 1    7   22    2 o   3.4526   0.7908   14.231   46.800  -0.34  -0.76   0.18  -0.27 
1 1 1    7   22    3 o   16.743   0.5350   23.153 -16.2000   3.09   1.40  -1.06  -1.81 
1 1 1    7   22    4 o   12.494   0.9079   3.6266   34.600   1.01  15.16   4.37  -0.81 
1 1 1    7   22    5 o   23.959   0.7635   26.162 -44.1000  13.42  -4.45  -6.17   3.42 
1 1 1    7   22    6 o   7.5720   0.4302   7.7697  177.700  -0.01  -0.02   0.00   0.00 
1 1 1    7   22    7 o   5.0261   0.5948   1.5252   71.100  -0.35  -0.92   0.39  -0.23 
1 1 1    7   22    8 o   13.149   0.2798   11.054   8.9000   0.01  -0.11   0.04  -0.09 
1 1 1    7   22    9 o   9.3230   0.8781   10.174   9.5000   4.26   1.92  -0.42  -0.57 
1 1 1    7   22   10 o   24.935   0.2208   13.590  126.700   0.49   2.37   1.35  -2.54 
1 1 1    7   22   11 o   19.963   0.7392   14.127 -45.1000  18.26  -1.32  -9.11   0.18 
1 1 1    7   22   12 o   15.094   0.2424   10.203 -81.4000   1.25  -0.02  -1.00  -0.61 
1 1 1    7   22   13 o   0.0000   2.1673  ?   ?    0.08  -0.00   0.25   0.15 
1 1 1    7   22   14 o   10.724   0.3462   16.962 -140.1000  -1.65  -0.85  -0.29  -0.90 
1 1 1    7   22   15 o   12.089   0.3059   9.2616   12.000   0.22   1.88   0.67  -0.42 
1 1 1    7   22   16 o   11.820   0.6200   11.801  139.000  -3.99  -0.03  -0.60   0.08 
1 1 1    7   22   17 f   9.7185   1.7610   14.188 -73.4000  17.45 -15.81  -0.74   4.75 
1 1 1    7   22   18 f   17.339   0.6884   19.077  110.900  -1.64   1.17  -0.07   0.11 
1 1 1    7   22   19 o   9.1828   0.3767   12.778   96.500  -1.57   1.39  -0.37   0.66 
1 1 1    7   22   20 o   5.7615   1.5195   9.0865   53.400   0.51   1.60   0.09  -0.05 
1 1 1    7   22   21 o   6.2298   0.5227   7.5403 -20.1000   0.35   1.24   0.20  -0.24 
1 1 1    7   22   22 o   4.0815   1.4520   4.8059 -132.3000  -0.11  -0.75   0.04  -0.02 
1 1 1    7   22   23 o   3.9225   0.8040   2.1219 -156.1000  -0.30  -0.19   0.00  -0.04 
1 1 1    7   22   24 o   8.2050   0.4979   5.8862 -18.3000   1.91  -1.01  -0.13   0.74 
1 1 1    7   22   25 o   0.1815   0.7622   6.2464   11.800   0.20   0.09   0.29   0.12 
1 1 1    7   22   26 o   6.0464   0.6453   4.5360  130.400   1.17  -0.13  -0.44  -0.25 
1 1 1    7   22   27 o   15.739   0.3134   11.147 -146.5000   0.34   0.36  -0.12   0.03 
1 1 1    7   22   28 o   8.2922   0.5980   8.9972   97.500   0.46   0.47  -0.08  -0.06 
1 1 1    7   23    0 f   20.686   0.3166   19.432 -89.4000   0.00   0.12   0.00   0.00 
1 1 1    7   23    1 o   16.393   0.4578   12.106  137.600  -1.34   1.90   0.08   0.46 
1 1 1    7   23    2 f   7.9396   0.4309   15.073   25.900   1.24   2.63   1.57  -1.29 
1 1 1    7   23    3 o   17.372   0.4020   16.555 -168.3000  -1.73   1.97   0.08   0.31 
1 1 1    7   23    4 o   6.7332   0.5673   7.6429 -98.9000  -1.16   3.17   0.82   0.53 
1 1 1    7   23    5 o   17.492   0.2473   17.236   55.100   0.24   0.27   0.12  -0.09 
1 1 1    7   23    6 o   12.556   0.4494   12.861  133.600  -0.83   1.21   0.03   0.17 
1 1 1    7   23    7 o   14.774   0.8296   8.2704  163.900  -4.43  -0.40  -0.39  -0.11 
1 1 1    7   23    8 o   14.179   0.4701   16.123 -152.7000  -0.86  -1.32   0.06  -0.32 
1 1 1    7   23    9 o   8.8633   0.6935   11.398   97.800  -3.50   8.06   2.20   3.02 
1 1 1    7   23   10 o   18.606   1.2715   16.129 -87.7000  -4.10 -22.02   5.12  -2.52 
1 1 1    7   23   11 o   5.5012   0.5992   9.5779  178.000  -0.57  -0.55   2.90  -1.07 
1 1 1    7   23   12 o   24.587   1.0334   22.499  103.100  20.27  16.52  -2.35  -6.91 
1 1 1    7   23   13 o   14.998   0.6538   11.335   49.800   0.46   6.33   2.51   0.15 
1 1 1    7   23   14 o   13.511   0.6263   11.429 -163.2000  -5.44  -6.70   0.12  -2.99 
1 1 1    7   23   15 o   1.6459   1.0346   3.1084 -23.6000   0.10  -0.05  -0.10  -0.05 
1 1 1    7   23   16 o   17.910   0.2560   15.454  176.000   1.39  -0.98   0.90   0.96 
1 1 1    7   23   17 o   10.891   0.3406   15.243  115.400   0.46   1.52   0.24  -0.45 
1 1 1    7   23   18 o   18.639   0.7163   16.057  158.800  -6.60  -2.71  -0.79  -1.26 
1 1 1    7   23   19 o   21.044   0.5442   21.589   17.600   3.08   1.25  -0.67  -0.27 
1 1 1    7   23   20 o   10.126   0.6221   4.3949 -115.8000  -3.85  -2.17  -0.82  -0.80 
1 1 1    7   23   21 o   11.750   0.6026   11.164 -46.1000   4.28   1.84  -0.65  -1.53 
1 1 1    7   23   22 o   5.0755   0.7253   8.2187  143.300  -0.85   0.37  -0.39   0.06 
1 1 1    7   23   23 f   6.4620   0.6056   7.0085  161.000   0.17   0.72   0.03  -0.48 
1 1 1    7   23   24 o   2.3115   1.1699   6.8536  177.900  -0.20  -0.52   0.04  -0.10 
1 1 1    7   23   25 o   11.846   0.7883   9.7289 -10.4000   0.11  -0.87   0.03   0.02 
1 1 1    7   23   26 o   0.0000   2.5814  ?   ?   -0.17  -0.29   0.07  -0.02 
1 1 1    7   24    0 o   11.323   0.4784   0.3678   88.200   0.00   0.26   0.00   0.00 
1 1 1    7   24    1 o   27.478   0.5023   25.271  116.900  10.35  16.32   1.70  -5.97 
1 1 1    7   24    2 o   3.7289   0.7804   7.7160   18.600   0.04   0.24   0.07   0.01 
1 1 1    7   24    3 o   4.4252   1.2538   7.3881   39.100  -0.50   0.90   0.03   0.07 
1 1 1    7   24    4 o   23.025   0.3183   12.417  122.700  -1.23   0.44  -0.97  -0.14 
1 1 1    7   24    5 o   10.037   0.3386   8.8417   30.600  -0.41   1.03   0.24   0.12 
1 1 1    7   24    6 o   3.4064   1.5732   11.093   19.900   0.32  -2.06   0.50   0.09 
1 1 1    7   24    7 o   9.7858   1.4167   16.610 -10.1000  15.09  -2.97  -2.65   1.29 
1 1 1    7   24    8 o   9.3263   0.5036   11.695 -34.4000   2.17   0.94  -0.52  -0.34 
1 1 1    7   24    9 f   14.495   0.6589   8.1815   36.500   2.30   1.68  -0.26  -0.45 
1 1 1    7   24   10 o   14.768   0.3001   15.547  128.500  -0.23   2.16   2.27  -1.06 
1 1 1    7   24   11 o   19.909   0.3568   14.483 -101.1000  -1.92  -0.74  -1.79   0.05 
1 1 1    7   24   12 o   3.9453   0.7751   5.3468 -35.6000  -1.69  -2.85   0.44  -1.43 
1 1 1    7   24   13 o   15.900   1.4048   10.871   32.900  32.24  -6.30  -6.74   3.37 
1 1 1    7   24   14 o   5.5769   0.6008   5.5308 -33.8000  -0.26   0.32  -0.26   0.13 
1 1 1    7   24   15 o   2.5088   1.1860   4.7891   49.400  -0.04  -0.12   0.01  -0.00 
1 1 1    7   24   16 o   10.178   0.3695   6.0010 -118.4000  -0.29  -0.50   0.44   0.09 
1 1 1    7   24   17 o   19.535   0.4825   19.210 -18.1000   5.77   2.96  -0.56  -1.76 
1 1 1    7   24   18 o   8.3445   0.8394   4.5112   30.600   3.89   2.37  -0.21  -0.72 
1 1 1    7   24   19 o   8.5472   0.4624   13.744   68.300  -0.71   3.18   1.01   1.28 
1 1 1    7   24   20 o   13.201   0.4328   8.3560   23.700   2.62  -0.63  -0.79  -0.00 
1 1 1    7   24   21 o   8.0308   0.4837   9.5451  -1.8000   0.62  -0.05  -0.12  -0.07 
1 1 1    7   24   22 o   12.236   0.3566   13.502  149.400  -1.08  -0.32   1.71  -0.56 
1 1 1    7   24   23 o   16.901   0.3008   10.707 -110.1000  -0.61  -0.76   0.43   0.64 
1 1 1    7   24   24 o   10.042   0.4786   12.764 -57.6000  -0.04  -0.41  -0.15  -0.11 
1 1 1    7   24   25 o   12.640   0.4296   10.510   4.8000   1.29  -0.25  -0.24  -0.25 
1 1 1    7   25    0 o   25.195   0.3233   17.449   90.100   0.00   0.31   0.00   0.00 
1 1 1    7   25    1 o   17.207   0.2544   10.838  147.400  -0.68   0.12  -0.01  -1.24 
1 1 1    7   25    2 o   12.274   0.5639   10.953   24.300   0.64   5.47   2.54   0.03 
1 1 1    7   25    3 o   5.0630   2.2198   5.9744  135.500  -3.92  -2.64  -0.27  -0.87 
1 1 1    7   25    4 o   5.0556   0.7128   2.0421   93.700  -1.74  -0.21  -0.48  -0.26 
1 1 1    7   25    5 o   5.1029   0.6276   8.3546 -105.2000   0.18  -0.22  -0.10   0.13 
1 1 1    7   25    6 o   11.490   0.3539   12.965  145.800  -0.27   0.08   0.43  -0.01 
1 1 1    7   25    7 o   16.267   0.2681   12.026 -174.8000  -0.15  -4.96   3.73   1.37 
1 1 1    7   25    8 o   3.3912   0.8532   5.6511  175.400  -0.15  -0.57   0.00  -0.90 
1 1 1    7   25    9 o   6.5900   1.3424   4.1277 -35.5000   3.42  -8.22   1.84   1.48 
1 1 1    7   25   10 o   10.468   0.3934   9.0603   79.900  -0.47   1.64   0.52   1.16 
1 1 1    7   25   11 o   15.756   0.2862   12.705 -160.2000   0.21  -5.35   3.74   3.57 
1 1 1    7   25   12 o   22.729   0.2977   21.193  159.500  -7.19  -5.57   0.68  -3.63 
1 1 1    7   25   13 o   8.5006   0.4446   13.555 -19.5000   0.09   2.41   1.57   0.85 
1 1 1    7   25   14 o   7.3945   0.7832   10.238 -47.3000   5.08   0.20  -2.17  -0.92 
1 1 1    7   25   15 o   4.3671   0.6875   8.1347   27.900   0.40  -0.15   0.18   0.33 
1 1 1    7   25   16 o   4.9447   0.6694   3.7618   16.800   0.32  -0.26   0.45  -0.02 
1 1 1    7   25   17 o   19.003   0.2478   17.456  162.500  -1.28  -0.01  -0.25  -0.40 
1 1 1    7   25   18 o   8.2954   0.4722   7.2254 -158.7000  -1.22  -0.38  -0.13  -0.41 
1 1 1    7   25   19 o   2.6982   1.0424   8.9579   14.300   0.10  -0.15   0.07  -0.06 
1 1 1    7   25   20 f   8.7952   0.5069   7.0115 -179.7000  -2.21  -0.50  -1.43   0.63 
1 1 1    7   25   21 o   6.5746   0.6148   7.7387 -50.2000   1.88   0.57  -0.28  -0.75 
1 1 1    7   25   22 o   1.9412   1.3001   1.4777 -98.0000   0.17  -0.27   0.02   0.02 
1 1 1    7   25   23 o   4.2065   1.0767   9.3383  120.800   0.46   0.23  -0.03  -0.01 
1 1 1    7   26    0 o   7.8867   0.6751   10.649 -90.9000  -0.00  -0.04   0.00   0.00 
1 1 1    7   26    1 o   9.5613   0.4322   6.1585  -6.2000   0.53   0.66  -0.35  -0.46 
1 1 1    7   26    2 o   26.282   0.3956   20.048 -113.8000  -0.83  -3.73   1.89   0.29 
1 1 1    7   26    3 o   20.161   0.7267   18.730 -43.8000   0.84 -13.36   3.64  -0.24 
1 1 1    7   26    4 f   7.7226   0.5949   9.9791  170.700   0.04   0.20   0.01  -0.03 
1 1 1    7   26    5 o   3.3934   0.9028   8.3460 -121.8000   0.45  -0.36  -0.06   0.07 
1 1 1    7   26    6 o   1.3573   1.2564   5.3526 -85.2000   0.41   0.10   0.01  -0.29 
1 1 1    7   26    7 o   10.970   0.3653   10.176  -3.5000  -0.74   0.58  -0.87  -0.14 
1 1 1    7   26    8 o   6.8190   0.5609   8.0086   71.800  -0.17   0.54  -0.02   0.22 
1 1 1    7   26    9 o   10.108   0.4104   9.7413  106.800  -0.02   0.54  -0.05  -0.36 
1 1 1    7   26   10 f   11.857   0.4090   18.817  176.100  -1.04  -5.20   1.93  -0.12 
1 1 1    7   26   11 o   18.468   0.7488   18.603 -82.9000  -1.60  -6.08   0.95  -0.99 
1 1 1    7   26   12 o   10.429   0.3621   7.0820  110.900   2.49   3.51   2.64  -2.24 
1 1 1    7   26   13 o   4.9114   1.2174   1.7520  134.700   2.32   1.42  -0.35  -0.39 
1 1 1    7   26   14 f   18.383   0.2689   11.633   22.100   0.26  -0.21   0.08   0.01 
1 1 1    7   26   15 o   14.135   1.0110   13.493 -33.6000   2.85  -4.77   0.15   0.64 
1 1 1    7   26   16 f   12.833   0.5744   13.237  166.200  -4.47  -6.41   3.57  -3.23 
1 1 1    7   26   17 o   13.295   0.3889   15.419 -83.3000   0.13  -0.03   0.01   0.01 
1 1 1    7   26   18 o   17.580   0.7347   16.656 -91.7000  -2.18  -5.18   0.38  -1.03 
1 1 1    7   26   19 o   3.0054   1.1055   3.4709  121.000   0.55   0.26  -0.13  -0.03 
1 1 1    7   26   20 o   8.6973   0.4951   5.0662   30.000   0.58  -0.14   0.33  -0.30 
1 1 1    7   26   21 o   7.2202   0.6343   9.5233   81.000   0.35  -0.77  -0.07   0.16 
1 1 1    7   26   22 o   11.295   0.4613   11.635  104.700   1.64   3.03  -0.62  -1.42 
1 1 1    7   27    0 o   9.9700   0.5415   6.5314 -89.7000  -0.00  -0.20   0.00   0.00 
1 1 1    7   27    1 o   11.172   1.1380   9.5455  -2.6000   0.15   2.37   0.12  -0.05 
1 1 1    7   27    2 o   29.641   0.2504   24.632 -96.7000  -1.92  -2.19  -2.53  -0.27 
1 1 1    7   27    3 o   18.970   0.6356   20.109  -9.3000   1.07   5.59   1.76   0.14 
1 1 1    7   27    4 o   11.854   1.1017   0.5179  154.700  -6.58   0.33  -0.82  -0.08 
1 1 1    7   27    5 o   7.6465   1.3910   6.1754 -43.5000   5.93   1.28  -0.76  -0.52 
1 1 1    7   27    6 o   13.156   0.3901   17.666  153.800  -1.30  -0.34   1.84  -1.06 
1 1 1    7   27    7 o   6.3622   0.6760   3.5298  135.500  -0.48  -0.51   0.70   0.17 
1 1 1    7   27    8 o   10.076   0.3924   5.2018 -137.0000  -2.13  -1.44  -1.70  -0.86 
1 1 1    7   27    9 o   20.534   0.3592   14.830   64.500  -5.39  10.58   1.19   4.31 
1 1 1    7   27   10 f   6.4355   0.5791   10.343  112.000   0.76   1.23  -0.11  -0.58 
1 1 1    7   27   11 o   11.586   0.8372   10.217   86.400  -4.00   3.24   0.15   1.16 
1 1 1    7   27   12 o   1.6611   1.1953   3.1506   59.900   0.32   0.55  -0.03  -0.23 
1 1 1    7   27   13 o   8.1424   0.5207   6.2478 -53.0000   1.29  -0.62  -0.31   0.09 
1 1 1    7   27   14 o   11.320   1.0677   13.885 -59.5000  10.12  -4.51  -1.90   1.39 
1 1 1    7   27   15 o   2.4328   1.1941   5.2219   48.100  -0.14   0.23   0.02   0.01 
1 1 1    7   27   16 o   0.7966   1.2588   5.3413   68.400   0.61   0.01  -0.07   0.02 
1 1 1    7   27   17 o   12.463   0.8149   14.591  158.800  -0.35   1.85   0.13  -0.00 
1 1 1    7   27   18 o   0.5470   1.1363   4.8107   1.4000  -0.71   0.20  -0.37  -0.22 
1 1 1    7   27   19 o   14.317   0.4386   12.584   81.700   0.61   0.34   0.01  -0.03 
1 1 1    7   27   20 o   0.0000   2.8151  ?   ?   -0.25   0.27   0.05   0.07 
1 1 1    7   28    0 o   4.1231   1.2677   6.7119   89.700  -0.00  -0.24   0.00   0.00 
1 1 1    7   28    1 o   20.232   0.2935   19.780  113.000  -2.35   1.87  -2.79  -0.02 
1 1 1    7   28    2 o   5.7321   0.7294   6.7106 -151.5000  -0.73   0.78   0.09   0.14 
1 1 1    7   28    3 o   8.7334   0.5248   6.8766 -68.5000   0.20  -0.38   0.07  -0.00 
1 1 1    7   28    4 o   6.4289   0.7530   3.2321 -178.2000   0.47   0.28  -0.03  -0.02 
1 1 1    7   28    5 o   11.651   0.7917   7.4704 -146.8000  -5.25  -0.15  -1.19   0.40 
1 1 1    7   28    6 o   8.4029   1.1862   9.5437 -31.0000   7.28  -1.60  -1.29   0.27 
1 1 1    7   28    7 o   2.7893   1.3823   2.3034   70.100  -0.37   0.05  -0.01   0.00 
1 1 1    7   28    8 o   15.769   0.3532   10.357   46.400   0.31   0.22  -0.06   0.04 
1 1 1    7   28    9 f   8.8864   0.5341   5.9466  141.600  -0.53   0.29   0.08   0.10 
1 1 1    7   28   10 o   7.0543   1.8973   8.7483  161.200   0.65   9.07   1.62  -0.55 
1 1 1    7   28   11 o   14.003   0.7110   11.108 -71.7000  -1.12  -4.46   0.74  -1.26 
1 1 1    7   28   12 o   10.893   0.4147   6.5586  143.600   0.69  -0.54   0.55   0.09 
1 1 1    7   28   13 o   10.700   0.4354   9.6345 -146.6000   0.14  -1.18   0.10   0.36 
1 1 1    7   28   14 f   9.8692   0.4613   14.185   32.800   0.93   0.73   0.21  -0.24 
1 1 1    7   28   15 o   16.114   0.3634   13.167   51.600  -0.22  -0.57  -0.06  -0.07 
1 1 1    7   28   16 o   16.090   0.7915   14.157  111.100   6.95  13.83   1.22  -4.33 
1 1 1    7   28   17 o   1.5177   1.3385   2.5022 -154.0000  -0.28   0.11  -0.03  -0.00 
1 1 1    7   28   18 o   0.0000   2.8570  ?   ?    0.18   0.02   0.07   0.06 
1 1 1    7   29    0 o   4.0620   1.2846   7.2028 -91.0000   0.00   0.09   0.00   0.00 
1 1 1    7   29    1 f   10.023   0.4887   8.3038  173.700  -1.03  -2.12   0.54  -0.14 
1 1 1    7   29    2 o   10.122   0.5550   10.144 -20.8000  -0.16  -0.90   0.12   0.09 
1 1 1    7   29    3 o   11.385   0.6194   11.059 -14.9000   2.38  -6.74   3.96   0.46 
1 1 1    7   29    4 o   11.184   0.4393   9.9652 -26.4000   0.51   0.02   0.06   0.17 
1 1 1    7   29    5 o   9.6945   0.6165   7.7178   14.500   0.42   0.12  -0.04   0.04 
1 1 1    7   29    6 o   10.294   0.5265   3.5048 -34.1000  -0.23  -0.30   0.05   0.07 
1 1 1    7   29    7 o   9.0378   0.4831   6.1380 -150.6000  -0.88  -0.05   0.95  -0.19 
1 1 1    7   29    8 f   12.698   0.4457   12.826 -84.2000   1.98  -0.95  -1.09  -0.32 
1 1 1    7   29    9 o   12.259   0.4298   10.290 -113.3000   0.87   0.97   0.51  -0.03 
1 1 1    7   29   10 o   9.7497   0.5167   6.5995 -131.9000   0.15   0.97  -0.20  -0.40 
1 1 1    7   29   11 o   7.2848   0.6634   2.6533 -114.0000   0.63  -0.41   0.13   0.12 
1 1 1    7   29   12 o   12.507   1.1990   11.141   45.900   7.17  -0.64  -0.96   0.63 
1 1 1    7   29   13 f   9.8595   0.6811   5.8066 -139.0000  -0.58  -1.85   0.27   0.03 
1 1 1    7   29   14 o   12.392   0.6966   11.329 -67.6000   2.38  -2.61  -0.31   0.47 
1 1 1    7   29   15 o   4.4745   1.7360   4.4959 -54.3000  -0.85  -0.12  -0.04  -0.07 
1 1 1    7   30    0 o   8.6081   0.9141   5.6782 -91.0000  -0.00  -0.01   0.00   0.00 
1 1 1    7   30    1 f   11.997   0.5269   9.7164   93.100  -1.45   1.34  -0.60   0.14 
1 1 1    7   30    2 o   0.0000   3.2576  ?   ?   -0.00   0.09  -0.01   0.00 
1 1 1    7   30    3 o   4.0040   0.9728   2.7327  129.800  -0.33  -0.47   0.11  -0.02 
1 1 1    7   30    4 o   3.1089   1.4970   3.3792   8.8000   1.30   0.09  -0.27   0.15 
1 1 1    7   30    5 o   8.5833   0.6730   9.8229 -75.8000   1.36  -0.61  -0.23  -0.01 
1 1 1    7   30    6 f   11.244   0.4967   8.3826 -47.3000   0.08  -0.94  -0.20  -0.29 
1 1 1    7   30    7 o   8.1230   0.6644   9.8110 -13.3000   0.57   0.28   0.14   0.14 
1 1 1    7   30    8 o   1.8131   1.4483   4.2226 -66.6000   0.44  -0.38   0.05   0.07 
1 1 1    7   30    9 o   6.9814   0.8879   7.0595 -90.0000  -1.33  -0.86   0.02  -0.14 
1 1 1    7   30   10 o   4.4620   2.0696   7.5646  172.500  -0.74  -0.86   0.09  -0.08 
1 1 1    7   30   11 o   3.7287   1.7705   2.8953  153.100   0.09  -0.14   0.00   0.00 
1 1 1    7   30   12 o   0.0000   2.9233  ?   ?    0.33   0.00   0.08  -0.05 
1 1 1    7   31    0 o   4.0743   1.4414   0.5958   86.500  -0.00  -0.09   0.00   0.00 
1 1 1    7   31    1 o   10.858   0.5472   9.6730 -158.6000  -1.58   1.13   0.42   0.29 
1 1 1    7   31    2 o   2.6643   1.3338   3.5753   11.900  -0.56  -0.19  -0.02  -0.03 
1 1 1    7   31    3 o   0.0000   3.2289  ?   ?    0.33  -0.45   0.14  -0.16 
1 1 1    7   31    4 o   10.256   0.8482   7.5618 -47.4000   1.89  -0.87   0.06   0.22 
1 1 1    7   31    5 o   0.0000   2.7830  ?   ?   -0.46  -0.01  -0.07  -0.14 
1 1 1    7   31    6 o   8.0938   0.9523   5.8498 -36.8000   1.50  -0.31   0.03   0.17 
1 1 1    7   31    7 f   0.0000   3.1725  ?   ?   -0.32   0.32   0.08   0.01 
1 1 1    8    0    0 o   45.630   0.4309   67.234 -179.7000  -0.06   0.00   0.00   0.00 
1 1 1    8    0    1 o   7.1972   0.2418   4.0451   86.800   0.00   0.05   0.00   0.00 
1 1 1    8    0    2 o   4.0620   0.3708   1.8116  163.500  -0.01   0.00   0.00   0.00 
1 1 1    8    0    3 o   36.566   0.2526   12.918   90.200  -0.00  -0.14   0.00   0.00 
1 1 1    8    0    4 f   38.902   0.2630   32.375   0.2000   0.38   0.00   0.00   0.00 
1 1 1    8    0    5 o   33.647   0.2346   35.263 -89.2000   0.00   0.02   0.00   0.00 
1 1 1    8    0    6 o   90.357   0.5216   73.567  179.300  -0.49   0.00   0.00   0.00 
1 1 1    8    0    7 o   7.3485   0.2180   18.229   89.500   0.00   0.00   0.00   0.00 
1 1 1    8    0    8 o   12.700   0.1786   20.412 -178.8000  -0.06   0.00   0.00   0.00 
1 1 1    8    0    9 o   58.757   0.3813   54.559 -90.1000  -0.00  -0.04   0.00   0.00 
1 1 1    8    0   10 o   55.652   0.3429   39.878  179.100   0.29   0.00   0.00   0.00 
1 1 1    8    0   11 o   56.347   0.3492   57.450 -89.8000  -0.00  -0.07   0.00   0.00 
1 1 1    8    0   12 o   45.807   0.3155   59.768  -0.3000  -0.13   0.00   0.00   0.00 
1 1 1    8    0   13 o   63.960   0.3978   51.432 -89.8000   0.00   0.06   0.00   0.00 
1 1 1    8    0   14 o   5.9414   0.3038   0.8086 -38.9000  -0.01   0.00   0.00   0.00 
1 1 1    8    0   15 o   9.2195   0.2430   3.2925 -85.7000   0.00   0.04   0.00   0.00 
1 1 1    8    0   16 o   52.767   0.3548   54.040  -0.0000   0.15   0.00   0.00   0.00 
1 1 1    8    0   17 o   61.307   0.3954   86.338 -90.1000  -0.00  -0.70   0.00   0.00 
1 1 1    8    0   18 o   46.022   0.3290   43.174  -0.7000  -0.03   0.00   0.00   0.00 
1 1 1    8    0   19 o   73.423   0.4682   35.963   90.200   0.00   0.49   0.00   0.00 
1 1 1    8    0   20 o   29.645   0.2906   19.277   0.5000  -0.06   0.00   0.00   0.00 
1 1 1    8    0   21 o   11.794   0.3418   7.9841 -87.0000  -0.00  -0.07   0.00   0.00 
1 1 1    8    0   22 o   8.6833   0.4014   8.3862   0.5000   0.02   0.00   0.00   0.00 
1 1 1    8    0   23 o   9.9348   0.3639   16.248 -90.8000   0.00   0.03   0.00   0.00 
1 1 1    8    0   24 o   1.7607   1.0935   2.9273  178.600  -0.00   0.00   0.00   0.00 
1 1 1    8    0   25 o   51.963   0.3802   59.940   90.500   0.00   0.18   0.00   0.00 
1 1 1    8    0   26 o   5.4129   0.6328   1.6232 -164.2000   0.03   0.00   0.00   0.00 
1 1 1    8    0   27 o   4.2426   0.7082   0.4011   90.400   0.00   0.00   0.00   0.00 
1 1 1    8    0   28 o   30.869   0.2904   36.774   0.2000   0.20   0.00   0.00   0.00 
1 1 1    8    0   29 f   1.8708   1.1141   3.0156   90.700   0.00   0.02   0.00   0.00 
1 1 1    8    0   30 o   26.174   0.2984   24.815 -180.0000   0.01   0.00   0.00   0.00 
1 1 1    8    0   31 o   16.282   0.3103   17.345 -90.1000  -0.00  -0.17   0.00   0.00 
1 1 1    8    0   32 o   1.6432   1.2875   6.9059 -179.1000   0.03   0.00   0.00   0.00 
1 1 1    8    0   33 o   23.914   0.3014   28.167   90.200   0.00   0.59   0.00   0.00 
1 1 1    8    0   34 f   31.472   0.3161   31.391   0.2000   0.55   0.00   0.00   0.00 
1 1 1    8    0   35 o   6.9065   0.5915   1.2582 -91.5000  -0.00  -0.21   0.00   0.00 
1 1 1    8    0   36 f   11.009   0.4491   7.2745   0.8000  -0.08   0.00   0.00   0.00 
1 1 1    8    0   37 o   3.8079   1.0163   3.1003   88.300   0.00   0.20   0.00   0.00 
1 1 1    8    0   38 o   0.0000   3.2558   3.8131  179.800   0.02   0.00   0.00   0.00 
1 1 1    8    1    0 o   14.829   0.1733   13.285   1.1000   0.00   0.00   0.00   0.00 
1 1 1    8    1    1 o   29.613   1.2855   31.481 -127.0000 -10.01  -4.96  -1.82  -2.19 
1 1 1    8    1    2 o   65.186   2.0371   73.447   82.600  12.58  16.62   1.43  -7.67 
1 1 1    8    1    3 o   42.833   0.9384   35.548 -122.3000   3.29  -5.15   0.57   1.60 
1 1 1    8    1    4 o   39.957   2.1993   39.882 -119.4000 -12.74 -22.70   3.10  -5.54 
1 1 1    8    1    5 o   70.097   0.2977   57.564 -41.2000  -0.21  -2.59   3.97 -13.44 
1 1 1    8    1    6 o   66.647   0.2784   51.723 -134.5000   0.54  -0.66  -0.01   0.19 
1 1 1    8    1    7 o   68.399   1.7573   63.750  123.500  -7.20  15.04   2.81   3.05 
1 1 1    8    1    8 o   63.282   1.3343   65.469   73.600   5.62   3.60  -0.76  -1.32 
1 1 1    8    1    9 o  121.018   0.6538  138.723   1.3000   0.69   0.30  -0.02  -0.09 
1 1 1    8    1   10 o   34.258   0.1787   28.450 -106.6000  -0.67   0.28  -0.96   0.58 
1 1 1    8    1   11 o   97.748   0.8339   91.098  159.500  -1.07   6.71   2.48   1.24 
1 1 1    8    1   12 o   72.038   0.8337   68.185  130.700  -2.69   3.98   0.73   1.38 
1 1 1    8    1   13 f   75.651   0.7852   72.136 -10.1000   9.49   6.90  -3.87  -8.25 
1 1 1    8    1   14 f   56.111   0.4477   54.757   71.400  -0.54   1.14   0.28   0.55 
1 1 1    8    1   15 o   67.699   1.0075   43.852  111.400   0.02   3.54   1.16   0.21 
1 1 1    8    1   16 o   47.345   1.2623   55.103 -148.3000  -3.76  -4.61   0.42  -1.39 
1 1 1    8    1   17 o   41.889   0.2197   48.910  151.400  -0.18  -0.11   0.05  -0.30 
1 1 1    8    1   18 o   28.442   1.0397   14.211   53.700   0.79  27.15  13.70  -0.50 
1 1 1    8    1   19 o   28.693   0.7661   20.786 -156.3000  -6.03   3.19  -1.87   2.41 
1 1 1    8    1   20 o   29.244   0.4081   33.098  172.500  -0.82   0.42  -0.14   0.14 
1 1 1    8    1   21 o   67.422   0.7588   63.507  134.800   2.50   7.21   2.59  -3.24 
1 1 1    8    1   22 o   23.270   0.5049   21.245   76.000   0.80   5.63   2.66  -0.95 
1 1 1    8    1   23 o   34.622   0.7333   26.933   89.300  -1.62   2.92   0.22   0.43 
1 1 1    8    1   24 o   14.159   0.2693   13.488  174.900  -0.71  -1.36   0.26  -0.44 
1 1 1    8    1   25 o   24.837   0.9733   22.894 -12.3000   9.52  -4.91  -1.80   2.97 
1 1 1    8    1   26 o   32.184   0.8625   35.342   88.800 -10.90   6.28  -2.33   3.30 
1 1 1    8    1   27 o   15.312   0.6913   15.158   9.9000   6.63   5.17  -0.94  -2.94 
1 1 1    8    1   28 o   21.979   0.1987   16.172 -93.0000  -0.44  -0.74  -5.23  -2.03 
1 1 1    8    1   29 o   8.2333   0.8205   8.2538 -80.1000   8.35  -3.97  -2.48   2.73 
1 1 1    8    1   30 o   25.510   0.2807   27.392  114.200  -0.42  -0.20  -0.02  -0.02 
1 1 1    8    1   31 o   11.082   0.5923   8.8335 -87.4000  -5.22  -7.07   0.73  -3.24 
1 1 1    8    1   32 o   12.431   1.2326   12.673 -63.4000  15.33  -7.19  -2.74   3.96 
1 1 1    8    1   33 f   14.394   0.3569   11.884  165.400  -1.06   1.23  -0.03   0.35 
1 1 1    8    1   34 o   4.6406   0.6093   4.5554 -171.0000  -1.08  -0.06  -2.21   1.51 
1 1 1    8    1   35 o   12.814   0.4876   11.081  159.400  -3.31   8.43   4.71   3.06 
1 1 1    8    1   36 o   4.1932   0.8068   3.5039 -152.7000  -0.94  -1.61   0.36  -0.42 
1 1 1    8    1   37 o   17.137   0.2591   17.209  -0.7000   1.22   0.80   2.21  -1.61 
1 1 1    8    2    0 o   11.380   0.1816   15.468  -1.7000   0.00   0.00   0.00   0.00 
1 1 1    8    2    1 o   23.323   0.8022   21.892 -72.4000  -2.48  -3.79   0.39  -0.80 
1 1 1    8    2    2 o   50.320   2.3472   40.919 -136.5000 -38.06 -17.40  -8.68 -11.00 
1 1 1    8    2    3 o   46.385   1.8960   43.137 -139.7000 -16.86  10.05  -2.59   5.54 
1 1 1    8    2    4 o   66.377   1.3476   58.878   92.500   4.31  14.31   3.56  -1.91 
1 1 1    8    2    5 o   27.350   0.1454   31.743 -58.4000   0.21   0.02  -0.11  -0.09 
1 1 1    8    2    6 o   76.150   0.6107   72.176 -167.6000  -4.50   3.17  -0.48   5.00 
1 1 1    8    2    7 o   86.565   0.6039   76.618  130.100  -9.42  -3.60  -5.11  -7.12 
1 1 1    8    2    8 f   18.887   0.5196   6.3864  170.200   6.02   1.77  -4.47  -2.58 
1 1 1    8    2    9 f   73.512   2.6679   78.494 -71.2000   5.64 -33.57   8.20   3.33 
1 1 1    8    2   10 o   80.775   0.3992   88.813 -180.0000   0.10   1.69   3.67   1.87 
1 1 1    8    2   11 f   53.907   1.8200   53.003  173.100 -13.79   5.30  -2.22   2.15 
1 1 1    8    2   12 o   31.996   1.1127   31.386   28.200   7.25  -8.02   0.26   3.70 
1 1 1    8    2   13 o   34.003   1.1912   36.728 -80.0000  -1.00 -11.77   3.87  -0.53 
1 1 1    8    2   14 o   37.160   0.9854   20.313  -4.0000   6.66  -3.81  -0.79   1.46 
1 1 1    8    2   15 o   13.192   1.2510   12.677   10.500  15.77  -1.01  -7.05   1.05 
1 1 1    8    2   16 o   55.157   0.3654   58.419   66.500  -1.31   1.09  -1.97   2.32 
1 1 1    8    2   17 o   44.408   2.8174   44.629 -162.8000 -86.53  15.92 -20.01   7.94 
1 1 1    8    2   18 o   29.040   0.1889   34.024   58.600   0.11   0.04  -0.12   0.00 
1 1 1    8    2   19 o   66.982   0.5627   54.117  130.800 -10.67  -5.43  -4.03  -7.81 
1 1 1    8    2   20 f   21.787   1.7990   23.018 -68.8000  18.70  -0.55  -5.09   0.14 
1 1 1    8    2   21 o   28.550   0.6278   22.459 -149.9000  -1.11 -13.57  10.12  -2.31 
1 1 1    8    2   22 o   66.842   1.0797   50.340   98.400 -10.60  10.16  -0.63   4.44 
1 1 1    8    2   23 o   33.362   0.7307   26.031 -81.0000   2.47  -4.90   0.42   0.65 
1 1 1    8    2   24 o   6.8653   0.9689   9.3792  117.500  -1.38  -7.68   1.47  -0.52 
1 1 1    8    2   25 f   30.030   0.2908   32.608   74.300   2.44  -0.80  -0.99   0.44 
1 1 1    8    2   26 o   41.233   0.5140   36.036 -118.7000  -2.31  -0.88  -0.94  -0.38 
1 1 1    8    2   27 f   28.920   0.9150   33.106   10.200   3.94  20.61  10.16  -3.02 
1 1 1    8    2   28 f   21.213   0.3682   30.052   68.900   0.75   1.22   0.24  -0.28 
1 1 1    8    2   29 o   9.3438   0.5993   12.688  148.400  -3.50   4.28   0.26   2.09 
1 1 1    8    2   30 o   25.705   0.9696   30.147 -160.5000  -2.69  -9.98   3.18  -1.27 
1 1 1    8    2   31 o   23.935   0.2620   25.095 -106.2000  -4.74   0.29  -1.46   0.48 
1 1 1    8    2   32 o   11.814   0.2792   2.4519 -72.6000  -0.44  -0.38  -0.47  -0.29 
1 1 1    8    2   33 o   13.293   0.6138   13.103  157.300  -4.02   1.58  -0.55   0.40 
1 1 1    8    2   34 o   26.408   0.7319   30.107   21.300  11.41   0.15  -3.00  -0.70 
1 1 1    8    2   35 o   20.893   0.4774   15.405 -27.0000  11.29   4.36  -2.87  -3.67 
1 1 1    8    2   36 o   12.326   1.0510   7.2234 -133.3000  -7.23  -7.76   0.49  -2.51 
1 1 1    8    2   37 o   7.5396   1.4434   5.5813   20.800   9.02  -0.11  -1.94   0.24 
1 1 1    8    3    0 o   8.9387   0.1970   1.5562  168.800   0.06   0.00   0.00   0.00 
1 1 1    8    3    1 o   20.330   0.5405   30.083 -94.4000  -6.78  -1.25  -4.94  -1.53 
1 1 1    8    3    2 o   36.011   3.4515   36.996  117.800 -21.38  62.77  12.31   9.08 
1 1 1    8    3    3 o   28.818   1.5661   23.188  157.100 -19.21  -8.19  -4.31  -4.81 
1 1 1    8    3    4 o   40.525   2.5969   30.216 -77.8000  21.47 -40.19   7.92  11.05 
1 1 1    8    3    5 o   42.341   0.3217   50.538 -137.7000  -2.50   0.99  -1.54   2.11 
1 1 1    8    3    6 o   60.433   0.2633   60.382  172.000  -0.41  -0.72   4.04   0.68 
1 1 1    8    3    7 o   85.114   1.1722   68.975  119.800   1.51  10.06   2.86  -1.30 
1 1 1    8    3    8 o   46.445   0.8116   33.571   28.000  -0.36   3.38   0.73   0.09 
1 1 1    8    3    9 o   98.517   1.5417   98.603 -12.5000   1.78 -12.44   2.65   0.54 
1 1 1    8    3   10 o   39.672   0.7941   42.108  167.400  -5.96  -6.92   0.47  -4.73 
1 1 1    8    3   11 o  116.979   0.7007  105.758  121.700  -4.51  -2.48  -1.19  -1.21 
1 1 1    8    3   12 o   33.186   0.3486   27.060   72.500   1.41   0.42  -0.40  -0.21 
1 1 1    8    3   13 o   72.035   1.6942   81.872 -64.1000 -13.15 -23.51   6.51  -9.34 
1 1 1    8    3   14 o   8.9311   2.0704   8.5066 -125.5000  -6.92  17.60   2.98   2.82 
1 1 1    8    3   15 f   80.302   0.4437   53.849  125.300  -3.12  -1.11  -0.89  -0.42 
1 1 1    8    3   16 o   66.196   2.1951   71.470 -179.0000 -38.40  66.62  15.23  24.56 
1 1 1    8    3   17 o   17.941   0.8125   9.9180  135.800   1.55   9.01   2.60  -0.87 
1 1 1    8    3   18 o   11.318   3.5931   17.824 -80.0000   7.50 -33.27   4.78   2.23 
1 1 1    8    3   19 o   37.382   1.3067   33.840 -177.6000 -11.01   0.61  -3.08   0.18 
1 1 1    8    3   20 o   28.616   0.2533   29.156 -175.9000  -0.10  -0.00  -0.02   0.01 
1 1 1    8    3   21 o   26.595   0.3430   35.440  140.400   2.14   1.93  -0.28  -1.38 
1 1 1    8    3   22 o   43.652   0.8187   45.150 -90.0000  10.96 -10.05  -1.30   7.86 
1 1 1    8    3   23 o   25.872   1.7021   13.465   49.000  29.88  30.52   0.71 -14.56 
1 1 1    8    3   24 o   16.715   1.0665   26.672 -147.2000 -11.41 -14.43   0.90  -4.23 
1 1 1    8    3   25 o   34.460   0.2118   20.925   45.100  -0.63   0.72  -0.67   1.01 
1 1 1    8    3   26 o   8.2813   1.5085   11.508   9.4000  13.70 -14.10   0.24   4.81 
1 1 1    8    3   27 o   19.558   1.3239   19.395   43.000  25.18  20.49  -2.33  -9.10 
1 1 1    8    3   28 o   8.7418   1.5963   2.6832 -64.5000  13.43 -18.34   1.49   5.18 
1 1 1    8    3   29 o   12.941   0.8110   19.825 -55.6000  10.72  -4.19  -2.76   2.26 
1 1 1    8    3   30 f   19.708   0.2116   18.289 -174.6000  -0.59   0.07   3.19   0.88 
1 1 1    8    3   31 o   21.334   1.3170   20.509 -51.4000   7.30 -21.52   4.12   2.51 
1 1 1    8    3   32 o   16.791   1.2168   16.978 -37.6000  17.15 -17.48   0.77   7.53 
1 1 1    8    3   33 o   10.851   0.4892   7.7530  167.400  -5.91  -0.80  -2.57  -1.15 
1 1 1    8    3   34 o   5.6649   0.5033   3.5229   17.800   0.53  -0.31  -1.28   0.20 
1 1 1    8    3   35 o   21.236   0.7496   19.503  146.700  -5.97  12.78   4.52   3.84 
1 1 1    8    3   36 o   15.572   0.2819   19.948  119.900   1.06   1.81  -0.57  -2.34 
1 1 1    8    3   37 o   13.353   0.2975   12.032 -41.9000   0.65  -0.13   0.03  -1.41 
1 1 1    8    4    0 o   41.479   0.2707   60.855   0.0000   0.27   0.00   0.00   0.00 
1 1 1    8    4    1 o   54.439   2.5382   61.563 -151.9000 -12.98 -44.89  10.32  -5.94 
1 1 1    8    4    2 o   14.072   2.0025   17.869  174.300 -34.56  -0.45 -10.15  -0.39 
1 1 1    8    4    3 o   32.558   0.8220   39.363 -108.6000  -3.57   0.01  -1.37   0.11 
1 1 1    8    4    4 o   65.145   0.2794   64.179  121.400  -3.91  -1.36  -7.39  -2.52 
1 1 1    8    4    5 o   59.071   2.3339   41.675 -85.4000 -30.79 -32.50   0.20 -18.07 
1 1 1    8    4    6 o   39.604   0.8385   38.891 -96.4000  -6.28  -1.77  -2.01  -1.05 
1 1 1    8    4    7 o  106.212   2.8341   94.649  147.300 -36.71   1.02 -11.24  -0.38 
1 1 1    8    4    8 o   11.203   0.7912   20.032   18.900  11.89  -9.59  -2.63  13.50 
1 1 1    8    4    9 f   76.211   1.0271   78.925 -65.4000   5.37   1.39  -2.05  -1.52 
1 1 1    8    4   10 o   37.368   0.9030   42.182  140.600  -4.44  -3.73  -0.25  -1.98 
1 1 1    8    4   11 f   48.584   0.2653   53.666  161.600  -1.68  -6.23   8.74  -6.84 
1 1 1    8    4   12 o   42.057   2.1166   41.623  -8.7000  28.31 -22.63  -3.14  12.44 
1 1 1    8    4   13 o   39.016   0.1931   31.335   46.200  -0.07   0.06  -0.01  -0.64 
1 1 1    8    4   14 o   26.985   1.7149   19.521 -99.7000  -0.06 -15.77   3.81  -0.14 
1 1 1    8    4   15 f   38.085   1.5880   29.455 -116.1000 -16.46   0.77  -6.97   0.27 
1 1 1    8    4   16 o   76.283   0.5671   73.204   61.900   0.36   5.34   0.79  -0.18 
1 1 1    8    4   17 o   7.9782   0.8413   11.472   64.900 -12.22  -5.93  -3.94  -4.91 
1 1 1    8    4   18 o   22.662   0.9130   25.196  138.100  -0.03   5.04   1.38  -0.05 
1 1 1    8    4   19 o   25.585   0.4767   23.776  142.100  -0.95   2.38   2.63   1.79 
1 1 1    8    4   20 o   23.303   1.1931   21.329 -67.8000   7.90  -3.63  -1.60   1.69 
1 1 1    8    4   21 o   10.682   2.2105   17.107 -87.3000  30.66 -29.15  -0.46  10.70 
1 1 1    8    4   22 o   33.435   0.2970   40.550   24.900   6.69  -3.29  -4.07   7.49 
1 1 1    8    4   23 o   30.226   0.8898   40.944 -126.0000   2.44  -8.39   1.97   1.44 
1 1 1    8    4   24 o   34.059   1.5681   34.036  125.900  -2.60  54.52  13.90   0.90 
1 1 1    8    4   25 o   26.378   0.4691   23.619 -177.1000  -3.78   6.73   3.33   4.07 
1 1 1    8    4   26 f   26.508   0.4227   33.432 -99.3000   5.49  -4.27  -2.72   5.77 
1 1 1    8    4   27 o   30.435   0.3561   28.235   10.300  -0.47   0.19  -0.05   0.02 
1 1 1    8    4   28 o   4.9429   0.7409   13.713   51.500  -0.16   4.12   1.63   0.24 
1 1 1    8    4   29 o   13.119   0.6806   14.811 -156.4000  -5.68  -6.62   0.86  -3.45 
1 1 1    8    4   30 f   18.486   1.0840   21.487  174.700 -13.19 -19.23   3.29  -7.03 
1 1 1    8    4   31 o   18.499   0.2149   22.987 -79.2000   0.29  -0.57  -0.26   0.45 
1 1 1    8    4   32 o   10.554   0.3955   5.7117  159.400  -1.48   1.72  -0.04   0.79 
1 1 1    8    4   33 o   14.990   0.3412   11.696 -98.0000  -1.92  -0.50  -1.12  -0.16 
1 1 1    8    4   34 o   15.171   0.3214   15.439 -16.7000   0.54  -0.32  -0.06   0.05 
1 1 1    8    4   35 o   10.611   0.4693   10.406  -0.3000   0.28  -0.90   0.08   0.04 
1 1 1    8    4   36 o   16.892   0.4977   15.679 -132.8000  -4.26  -2.65  -0.32  -2.25 
1 1 1    8    4   37 f   8.5652   0.4335   7.4670 -27.8000   1.24  -0.20  -0.28   0.28 
1 1 1    8    5    0 o   11.726   0.2135   2.4113 -163.4000   0.07   0.00   0.00   0.00 
1 1 1    8    5    1 f   28.366   0.6592   33.266   33.500  -0.76   5.24   2.42   0.88 
1 1 1    8    5    2 o   7.9309   0.1673   8.4027 -107.1000   1.54  -0.96  -5.82   9.11 
1 1 1    8    5    3 o   35.202   1.5939   48.709   62.200  32.30 -14.29 -14.67  17.31 
1 1 1    8    5    4 o   48.859   2.3187   52.403 -44.2000  11.01 -27.70   5.24   4.63 
1 1 1    8    5    5 o   32.564   1.1877   25.317  159.300  -7.94   5.90  -0.63   2.41 
1 1 1    8    5    6 o   55.560   0.2456   41.533 -151.9000  -1.44   0.94   0.07   3.07 
1 1 1    8    5    7 o   84.663   1.0948   81.838   75.200   3.02   5.97   0.61  -1.07 
1 1 1    8    5    8 o   42.909   0.2557   38.637   51.900  -0.02   0.20   0.28   0.52 
1 1 1    8    5    9 o   35.025   0.2383   41.312   45.800   3.98  -2.37  -1.92   4.45 
1 1 1    8    5   10 o   76.897   0.6119   66.599 -103.8000  -9.28   0.72 -11.21   3.72 
1 1 1    8    5   11 o   71.099   0.8613   56.206   97.300   5.97  -1.46  -3.21   1.14 
1 1 1    8    5   12 o   9.9072   0.8295   15.938  -0.0000   4.16  -1.75  -0.62   0.65 
1 1 1    8    5   13 o   32.863   2.2461   24.259 -79.4000  -0.83 -20.78   3.54  -0.22 
1 1 1    8    5   14 o   42.566   1.4639   44.131 -172.3000  -6.71   7.52   0.14   3.11 
1 1 1    8    5   15 f   11.065   1.1449   15.451 -19.2000  -0.94  -7.36   1.60  -0.44 
1 1 1    8    5   16 o   93.087   3.4635   86.573 -168.9000 -108.47  85.02  -7.28  33.94 
1 1 1    8    5   17 o   45.060   0.2407   40.184 -64.0000  -3.10  -2.77  -2.35  -6.27 
1 1 1    8    5   18 o   38.659   0.6706   34.388   64.200  -3.51   6.04   1.67   3.76 
1 1 1    8    5   19 o   35.666   1.3677   25.438   83.800  -7.60  11.79   2.39   4.44 
1 1 1    8    5   20 o   26.920   0.3691   31.504   85.600   2.15   0.82  -2.46  -1.33 
1 1 1    8    5   21 f   36.211   0.6019   41.411 -152.7000  -4.15  -5.72   1.46  -3.39 
1 1 1    8    5   22 o   36.355   1.2542   35.796 -137.8000   3.16 -15.96   2.92   1.38 
1 1 1    8    5   23 o   15.104   2.2364   11.800 -68.4000  88.23  26.88 -19.17 -13.15 
1 1 1    8    5   24 o   27.835   0.9741   28.185  115.200  -4.14  13.61   3.09   1.86 
1 1 1    8    5   25 o   21.822   0.1914   10.648   62.300   0.05   0.16  -0.56   0.45 
1 1 1    8    5   26 o   20.261   2.3084   25.873   73.300 -44.50  67.14   7.49  18.88 
1 1 1    8    5   27 o   11.975   0.3669   13.783 -49.9000  -0.77  -1.46   0.33  -0.36 
1 1 1    8    5   28 o   24.981   1.2865   29.142  117.400   3.29  30.14   7.66  -2.22 
1 1 1    8    5   29 f   9.8599   0.8658   4.8382 -54.2000  -8.79  -2.94  -2.04  -1.35 
1 1 1    8    5   30 o   15.504   0.5446   16.489 -105.6000   1.61  -2.40   0.15   0.56 
1 1 1    8    5   31 o   16.851   0.9156   16.204 -22.8000   7.33  -5.94  -0.15   2.35 
1 1 1    8    5   32 o   10.556   0.5674   1.3522 -87.2000  -3.37   5.34   0.90   2.92 
1 1 1    8    5   33 o   16.240   0.6762   14.110  109.100  -0.52   3.99   0.68   0.07 
1 1 1    8    5   34 f   13.533   0.3546   8.8370   37.800   0.47   0.44   0.01  -0.06 
1 1 1    8    5   35 o   27.103   0.2196   28.456  111.300  -0.56   0.28  -0.31  -0.70 
1 1 1    8    5   36 o   20.564   0.2478   20.488  123.200   0.18   1.54   0.44  -1.20 
1 1 1    8    5   37 o   2.2732   1.1590   6.7427   65.000  -0.00   0.76   0.22   0.09 
1 1 1    8    6    0 o   19.794   0.2297   8.7001   3.1000   0.06   0.00   0.00   0.00 
1 1 1    8    6    1 o   98.405   2.1748   73.172 -156.1000  -8.27 -35.59  14.71  -5.60 
1 1 1    8    6    2 o   42.005   1.2338   39.349   64.500  17.82  -2.59 -12.39   4.56 
1 1 1    8    6    3 o   6.5510   1.3865   10.985 -89.8000  -4.87  15.43   4.69   3.34 
1 1 1    8    6    4 o   67.521   2.1003   55.281  128.200 -24.09   7.99  -5.67   4.76 
1 1 1    8    6    5 o   25.151   1.9042   28.822 -100.3000 -22.28 -22.23  -0.21 -10.08 
1 1 1    8    6    6 f   58.081   1.1040   67.625 -88.7000   3.15  -6.54   1.42   2.21 
1 1 1    8    6    7 o   49.660   0.2283   49.044  135.900  -0.39   0.23   4.72 -10.26 
1 1 1    8    6    8 o   21.896   0.5543   28.100   38.800   0.03   5.18   5.75   0.24 
1 1 1    8    6    9 o   46.193   0.8446   39.385  -2.7000   2.82   5.30   1.80  -2.30 
1 1 1    8    6   10 o   43.427   0.6126   54.200 -178.6000   0.68  -2.69   1.10   0.76 
1 1 1    8    6   11 f   16.083   0.5711   14.422 -13.3000   0.53   4.14   2.29  -0.52 
1 1 1    8    6   12 o   20.068   2.9458   30.733 -144.8000 -44.28  36.06  -2.37  11.85 
1 1 1    8    6   13 o   59.305   0.2679   38.835 -23.0000   0.00  -0.66   0.40   0.28 
1 1 1    8    6   14 o   14.191   1.6815   19.902   74.900 -11.38  17.25   3.03   7.45 
1 1 1    8    6   15 o   38.084   0.2747   31.643 -96.4000   0.26  -0.23   0.10   0.36 
1 1 1    8    6   16 o   39.957   0.3461   26.676   96.100   2.46   4.57   0.55  -0.93 
1 1 1    8    6   17 f   57.132   1.1351   60.955   22.300   3.23  11.92   7.46  -3.23 
1 1 1    8    6   18 o   28.555   1.9090   32.571 -74.9000   0.61 -18.47   4.22   0.41 
1 1 1    8    6   19 o   9.2126   2.3011   18.744  154.500 -12.23  11.54  -0.18   3.96 
1 1 1    8    6   20 o   13.742   0.3283   16.037 -122.5000  -3.27   1.66  -1.38   2.15 
1 1 1    8    6   21 o   10.781   1.1145   16.783 -79.3000  13.91  -3.16  -3.54   1.76 
1 1 1    8    6   22 o   29.929   1.2821   29.377 -23.9000   7.79 -23.57   7.40   5.00 
1 1 1    8    6   23 o   10.847   0.2637   9.3534 -17.3000  -1.68   1.72  -0.04   0.98 
1 1 1    8    6   24 o   41.106   0.3421   49.398  120.600  -1.69  -0.36  -1.06  -2.41 
1 1 1    8    6   25 o   11.787   0.2371   13.928 -94.1000   0.30  -0.21  -0.12   0.15 
1 1 1    8    6   26 o   28.416   0.5759   20.543 -11.7000   1.39  -2.18   0.14   0.49 
1 1 1    8    6   27 o   16.499   0.2110   7.6442   65.500   0.11   0.36   0.87   0.83 
1 1 1    8    6   28 o   28.017   0.2069   25.223   36.600   3.61  -5.68   6.10   6.14 
1 1 1    8    6   29 o   12.678   0.2504   11.956 -143.6000  -0.11   0.66   1.11  -0.49 
1 1 1    8    6   30 o   8.0296   0.4703   6.7005   26.100   0.44   3.03   0.88  -0.37 
1 1 1    8    6   31 o   16.227   0.2216   12.168   3.5000   0.25  -0.24   0.15   0.09 
1 1 1    8    6   32 o   5.6110   0.5161   4.0411  -3.8000  -0.21  -0.53   0.15  -0.41 
1 1 1    8    6   33 o   11.133   0.3716   10.161 -101.5000   0.71  -0.79  -0.04   0.22 
1 1 1    8    6   34 o   24.716   0.2158   22.339 -70.9000   1.00  -0.13  -0.56  -0.56 
1 1 1    8    6   35 o   10.648   0.8482   7.3524 -166.9000  -4.80  -5.35   0.59  -2.10 
1 1 1    8    6   36 f   4.1711   0.7623   1.9428 -82.9000   0.11   0.01   0.07   0.10 
1 1 1    8    6   37 o   10.202   0.4185   9.0417 -73.6000  -0.16  -0.07   0.03  -0.03 
1 1 1    8    7    0 o   8.0062   0.2658   8.3582   4.4000  -0.01   0.00   0.00   0.00 
1 1 1    8    7    1 o   38.313   1.3396   31.260 -97.8000  -3.36  -4.43   0.20  -0.88 
1 1 1    8    7    2 o   53.539   0.2381   46.552 -21.9000  -0.48  -1.36   0.45  -0.23 
1 1 1    8    7    3 o   30.276   0.1582   41.113 -91.6000  -0.37  -0.09  -0.32  -0.38 
1 1 1    8    7    4 o   44.994   0.8700   54.223   46.600  -1.91   5.83   1.73   1.51 
1 1 1    8    7    5 o   50.929   1.4932   49.479 -156.3000 -18.67   5.54  -6.70   4.76 
1 1 1    8    7    6 f   37.123   0.3399   33.171 -135.4000  -0.76  -0.81   0.10  -0.49 
1 1 1    8    7    7 o   85.813   0.9839   68.422   44.200  -3.20   4.41   0.37   2.04 
1 1 1    8    7    8 o   62.147   1.1678   61.489   93.000 -14.54   8.66  -6.52  10.19 
1 1 1    8    7    9 o   24.441   1.0638   42.992   92.400 -11.26   3.59  -3.65   2.45 
1 1 1    8    7   10 o   96.576   0.6947  106.531 -149.6000  -4.51   3.68   1.24   8.37 
1 1 1    8    7   11 o   18.570   2.1065   23.827 -132.0000 -30.68  -9.09  -6.34  -4.04 
1 1 1    8    7   12 o   16.793   1.0308   4.1338 -19.4000   8.75  -3.55  -2.55   2.64 
1 1 1    8    7   13 o   13.831   0.9687   21.346 -163.0000  -3.18  -2.41  -0.22  -0.88 
1 1 1    8    7   14 o   99.240   2.1571   92.477  174.800 -27.26  -2.85  -8.05  -2.42 
1 1 1    8    7   15 o   61.668   1.9668   67.617  158.200 -28.97   7.15 -16.90   7.64 
1 1 1    8    7   16 o   83.289   1.7063   84.555  155.800 -18.85  15.82  -0.45   4.25 
1 1 1    8    7   17 o   23.751   0.7749   19.725 -53.4000   3.82  -1.22  -2.31   1.36 
1 1 1    8    7   18 o   18.924   0.6003   28.446   19.500  -1.28   3.98   2.19   1.92 
1 1 1    8    7   19 o   54.970   0.4890   62.497  122.200  -1.60   0.97  -0.09   0.37 
1 1 1    8    7   20 o   27.516   0.1922   21.847   48.000  -2.83   1.28  -2.88   2.38 
1 1 1    8    7   21 o   20.800   1.9318   27.795 -63.0000  51.82 -16.72 -15.15  11.38 
1 1 1    8    7   22 o   19.839   0.1929   33.024 -124.3000   0.47  -0.49  -0.06   0.33 
1 1 1    8    7   23 o   6.2186   1.1315   6.7294   62.500 -14.16   2.58  -5.20   2.07 
1 1 1    8    7   24 o   15.282   1.1546   24.091  145.100 -14.26  22.60   4.65   8.98 
1 1 1    8    7   25 o   22.121   0.3964   23.169   82.900   7.75   1.16  -3.23  -0.63 
1 1 1    8    7   26 o   21.788   2.6481   24.201   68.000  -8.40 101.94  28.30   5.55 
1 1 1    8    7   27 o   20.989   0.3708   18.800 -112.7000   0.91  -1.69   0.31   1.85 
1 1 1    8    7   28 o   21.658   1.1620   19.806  121.500  -1.63  28.28   8.16   0.36 
1 1 1    8    7   29 o   9.7226   1.0796   14.916 -115.4000 -10.05  -7.07  -0.94  -2.29 
1 1 1    8    7   30 o   20.448   0.8396   21.003   0.1000   5.72   2.55  -0.64  -1.07 
1 1 1    8    7   31 o   12.827   1.0230   8.7505   16.800   7.56   8.64   0.13  -2.80 
1 1 1    8    7   32 o   4.2397   1.2164   3.3831 -70.4000  -1.43  -2.76   0.30  -0.51 
1 1 1    8    7   33 o   5.7556   0.5193   4.4967 -109.1000  -2.20  -0.78  -2.34  -0.81 
1 1 1    8    7   34 o   6.3536   0.9157   2.6367   45.000   0.69   1.11   0.05  -0.08 
1 1 1    8    7   35 o   13.585   0.2905   15.101   81.100   0.38   0.59   0.17  -0.11 
1 1 1    8    7   36 o   20.508   0.4198   19.856  128.900  -0.27   5.31   1.88  -0.50 
1 1 1    8    7   37 o   11.510   0.4343   8.2853  120.200  -0.19  -0.27   0.08  -0.01 
1 1 1    8    8    0 f   46.919   0.3501   39.608 -179.2000  -0.19   0.00   0.00   0.00 
1 1 1    8    8    1 o  111.641   0.5183   98.852 -170.9000  -2.98   4.08   9.67   8.58 
1 1 1    8    8    2 o   97.033   3.0138   86.222   35.900  29.11  14.01  -5.24  -5.87 
1 1 1    8    8    3 o   73.425   0.8837   61.018  -7.4000   5.02  -8.81   4.57   5.95 
1 1 1    8    8    4 o   58.135   0.6139   49.285  102.300  -4.70   1.77  -2.65   3.02 
1 1 1    8    8    5 o   25.937   0.9604   37.612  129.500 -11.91  -6.11  -3.69  -5.43 
1 1 1    8    8    6 f   80.102   1.4383   87.503 -85.0000   1.23  -9.39   1.22   0.40 
1 1 1    8    8    7 o   15.596   1.4386   15.976   41.000  17.65 -30.88  11.24  19.57 
1 1 1    8    8    8 o   97.598   0.4032   95.750   25.700  -0.89   1.32  -1.89   3.30 
1 1 1    8    8    9 o   72.850   0.3140   86.742   43.500  -3.13   6.59   5.02  10.21 
1 1 1    8    8   10 o   27.564   0.2887   17.281   68.100  -3.01  -0.18  -1.61  -0.31 
1 1 1    8    8   11 o   29.847   0.4822   45.259   35.500  -0.34   2.01   1.06   0.21 
1 1 1    8    8   12 o   50.764   2.1302   67.379 -41.0000  12.69 -13.10  -0.10   4.32 
1 1 1    8    8   13 o   29.165   1.1941   15.280   26.400   4.61 -14.98   5.91   4.44 
1 1 1    8    8   14 o   64.721   1.6296   59.587  111.100 -10.49  20.98   4.90   7.35 
1 1 1    8    8   15 o   38.426   0.7473   24.595 -73.7000   3.24  -1.98  -0.90   1.45 
1 1 1    8    8   16 f   23.821   0.4204   10.238 -155.9000   1.33  -5.11   1.39   0.69 
1 1 1    8    8   17 o   72.228   0.3715   78.870   43.800   4.55  -2.98   0.66   7.54 
1 1 1    8    8   18 o   37.844   0.3270   41.485   37.200  -0.11   0.43   0.11   0.64 
1 1 1    8    8   19 o   58.146   1.2927   70.428  153.200  -0.81  24.13   9.03  -0.07 
1 1 1    8    8   20 o   27.225   0.9886   18.607  -1.5000   9.60  21.78   7.29  -7.45 
1 1 1    8    8   21 o   30.887   0.1987   23.606 -78.1000   1.41  -0.15  -4.36  -1.82 
1 1 1    8    8   22 o   23.068   0.2629   24.585 -74.1000   0.21  -1.09   1.05   0.10 
1 1 1    8    8   23 o   32.739   1.4398   26.031   96.800  -4.09  21.11   4.00   1.90 
1 1 1    8    8   24 o   19.689   0.5970   14.392  134.700  -3.62  -1.23  -0.86  -0.81 
1 1 1    8    8   25 f   31.119   0.4094   26.030 -105.6000   2.86  -1.73  -2.44   2.19 
1 1 1    8    8   26 o   28.074   0.9709   23.809   39.000  11.40   2.09  -4.15  -2.27 
1 1 1    8    8   27 o   7.6372   0.3591   7.0937 -71.5000  -0.13   1.14   0.61   0.28 
1 1 1    8    8   28 o   29.415   0.3929   28.731   43.900   0.91   0.05  -0.31  -0.38 
1 1 1    8    8   29 f   8.2337   0.3781   13.283 -153.0000  -0.19  -0.66   0.43  -0.09 
1 1 1    8    8   30 o   7.1867   0.6562   4.3095   40.100   1.24   0.93  -0.08  -0.18 
1 1 1    8    8   31 o   26.570   0.3476   25.182   67.100   0.01   2.95   1.51   0.92 
1 1 1    8    8   32 o   21.481   0.2211   17.729   32.400   1.14  -1.08   0.37   0.67 
1 1 1    8    8   33 o   13.448   0.3890   11.389 -104.5000  -0.27  -4.13   1.61  -0.64 
1 1 1    8    8   34 o   12.340   0.8036   12.859 -110.7000   3.68  -7.71   1.30   2.10 
1 1 1    8    8   35 o   3.6145   1.6488   5.9252 -76.9000   0.35  -1.25   0.19   0.17 
1 1 1    8    8   36 o   6.4769   0.9721   6.6824 -118.1000   0.46  -2.07   0.26   0.20 
1 1 1    8    9    0 o   20.241   0.2127   5.0658  176.900  -0.04   0.00   0.00   0.00 
1 1 1    8    9    1 o   30.156   0.3543   28.996  155.900   0.67   1.20   0.22  -0.30 
1 1 1    8    9    2 o   33.999   0.2995   50.835   93.100   3.46   0.62  -9.06  -1.77 
1 1 1    8    9    3 f   31.222   0.7993   24.475 -111.9000   0.65  -4.75   1.11   0.35 
1 1 1    8    9    4 o   12.324   0.2428   7.3240   80.900   2.12   1.42  -1.04  -2.92 
1 1 1    8    9    5 o   9.5572   1.2601   10.311 -23.5000  17.96  -0.76  -7.01   0.54 
1 1 1    8    9    6 f  103.088   1.1036   90.966 -165.3000  -2.14 -13.40   6.27  -1.07 
1 1 1    8    9    7 o   34.996   1.6545   22.412 -39.0000  14.47 -16.26   0.87   6.12 
1 1 1    8    9    8 o   8.7441   1.4256   13.800   24.400 -18.15   2.70  -5.37   1.59 
1 1 1    8    9    9 o   55.432   0.4906   57.728  150.400  -5.88  -7.03   1.56  -5.61 
1 1 1    8    9   10 o   32.636   0.6434   26.162 -171.5000  -2.20   0.08  -1.06   0.24 
1 1 1    8    9   11 f   78.203   2.7969   71.747 -161.7000 -32.50  -2.94  -8.94  -0.96 
1 1 1    8    9   12 o   78.571   2.3456   63.156 -48.6000   8.06 -18.66   4.34   3.80 
1 1 1    8    9   13 o   28.243   0.5245   12.656 -69.8000   1.08  -2.75   0.38   0.33 
1 1 1    8    9   14 o   76.103   0.3327   56.832  130.600   1.40   0.11  -0.22   0.01 
1 1 1    8    9   15 o   40.283   2.3721   37.034  169.700 -27.68   8.70  -8.32   5.32 
1 1 1    8    9   16 f   74.733   0.4970   55.091  171.100  -0.04   0.60   0.35  -0.93 
1 1 1    8    9   17 o   35.772   2.1706   31.192   0.3000  19.55 -16.15  -1.71   7.03 
1 1 1    8    9   18 o   31.737   0.5283   19.531 -70.4000  -0.31  -8.36   5.00  -0.79 
1 1 1    8    9   19 o   29.768   0.1990   35.013  163.800  -0.14  -0.76   1.57  -2.38 
1 1 1    8    9   20 o   33.301   0.2012   28.490 -52.3000  -0.13  -0.19  -0.90   0.41 
1 1 1    8    9   21 f   18.884   1.7462   11.398 -87.7000  86.29 -45.07 -22.03  32.78 
1 1 1    8    9   22 o   12.980   0.3439   23.855 -111.8000  -2.29  -0.71  -0.62  -0.36 
1 1 1    8    9   23 o   13.070   1.5164   14.700   99.300 -22.36  20.46  -0.59   9.11 
1 1 1    8    9   24 o   9.5884   0.2777   8.1171 -177.5000  -0.20   0.75   1.47   0.23 
1 1 1    8    9   25 o   6.8272   0.7580   4.8123   91.600  -4.71   1.35  -1.26   0.69 
1 1 1    8    9   26 o   30.470   1.8468   33.305   58.000   7.26  57.17  19.17  -3.58 
1 1 1    8    9   27 o   23.191   0.3518   27.675  101.700   1.02   1.96   0.11  -0.23 
1 1 1    8    9   28 o   10.926   1.0827   17.404 -143.7000   5.27 -19.55   8.37   5.63 
1 1 1    8    9   29 o   17.471   0.9385   16.938 -81.8000   3.37 -18.93   4.80   1.40 
1 1 1    8    9   30 o   16.343   0.7148   17.303   56.300   2.96   4.79   0.36  -1.27 
1 1 1    8    9   31 o   30.684   1.3521   24.539  104.400  16.09  25.79   3.68 -12.82 
1 1 1    8    9   32 o   20.640   0.2223   16.493 -60.3000  -0.01  -0.63  -0.53  -1.09 
1 1 1    8    9   33 o   16.028   1.1996   9.6234 -111.5000  -9.44 -13.19   0.69  -2.81 
1 1 1    8    9   34 o   6.3856   0.5002   5.1896 -117.8000   0.62   0.29  -0.06  -0.26 
1 1 1    8    9   35 o   15.075   0.2906   16.042   38.100   0.19   0.33   0.18   0.31 
1 1 1    8    9   36 o   0.0000   2.4444  ?   ?    0.06   0.20   0.03  -0.18 
1 1 1    8   10    0 o   24.860   0.2272   11.337 -179.6000  -0.00   0.00   0.00   0.00 
1 1 1    8   10    1 f   35.094   0.7599   21.870 -155.7000  -2.77   8.41   5.82   3.74 
1 1 1    8   10    2 o   42.586   0.9030   37.741   17.900   7.42  -6.34  -0.55   6.26 
1 1 1    8   10    3 o  128.048   1.3454  116.059   5.4000   1.59  -4.75   2.52   0.73 
1 1 1    8   10    4 o   46.613   0.8236   31.443 -163.9000  -2.44  -5.97   2.35  -2.76 
1 1 1    8   10    5 f   17.351   0.1900   8.8618   3.5000   1.69   0.23 -10.77  -0.61 
1 1 1    8   10    6 o   69.001   0.5484   72.910 -105.8000   3.90  -1.92  -2.98   2.52 
1 1 1    8   10    7 o   84.589   2.6556  112.919 -128.8000 -77.72  25.12 -35.53  28.48 
1 1 1    8   10    8 o   54.997   0.7997   72.240   89.500   5.56   1.96  -6.11  -2.86 
1 1 1    8   10    9 o   47.541   0.2355   41.186   54.900  -8.89   8.34  -3.61  16.30 
1 1 1    8   10   10 o   53.376   0.5780   50.964   74.400  -2.70   4.98   0.72   1.45 
1 1 1    8   10   11 o   14.779   0.2125   11.058   64.600  -0.39   0.22  -1.50   1.30 
1 1 1    8   10   12 o   81.293   0.8000   74.443 -49.3000   5.71  -1.02  -1.05   0.26 
1 1 1    8   10   13 o   18.986   0.7628   31.256 -150.4000   0.10 -18.57  11.11   0.35 
1 1 1    8   10   14 o   0.0000   2.3178  ?   ?   -0.10  -0.11  -0.00  -0.03 
1 1 1    8   10   15 f   48.304   1.0721   47.753 -41.8000   7.09   0.34  -3.31  -0.72 
1 1 1    8   10   16 o   44.313   0.9262   43.564 -156.4000  -0.85  -4.57   2.93  -0.45 
1 1 1    8   10   17 o   32.733   0.2133   14.008   53.900   0.22   0.53   1.15   5.66 
1 1 1    8   10   18 o   21.966   0.5471   27.763   90.800   3.36   5.51   0.89  -1.95 
1 1 1    8   10   19 o   68.250   2.6371   55.619  114.500   6.05  58.60  11.72  -3.19 
1 1 1    8   10   20 o   60.028   0.4667   58.546 -58.5000  -1.73  -2.39  -2.76  -5.81 
1 1 1    8   10   21 o   29.453   2.0960   13.750   23.700  74.05  -1.60 -15.11   0.32 
1 1 1    8   10   22 o   6.1054   2.2762   14.088  117.400   2.61  14.44   1.86  -0.74 
1 1 1    8   10   23 o   47.706   0.3123   39.031   68.900   9.38  -0.95 -10.97   8.16 
1 1 1    8   10   24 o   21.600   0.5305   26.067 -77.0000   7.24  -2.37  -1.24   1.07 
1 1 1    8   10   25 f   15.082   0.6474   11.123 -145.8000   0.52  -7.95   4.12   1.00 
1 1 1    8   10   26 o   16.046   1.1835   20.622   25.300  10.05  18.65   4.29  -5.72 
1 1 1    8   10   27 o   12.480   0.2364   13.364 -28.4000   0.13  -0.29   0.10   0.04 
1 1 1    8   10   28 o   6.0205   0.9167   5.4407   14.100  -3.71   7.02   1.79   2.28 
1 1 1    8   10   29 o   16.368   0.7073   24.642 -170.0000  -5.13   3.95  -0.12   1.52 
1 1 1    8   10   30 f   13.603   0.4397   15.182   1.8000   1.69   2.55   0.19  -1.54 
1 1 1    8   10   31 o   24.969   0.2819   21.270   98.900   0.53   1.22   0.13  -0.07 
1 1 1    8   10   32 o   11.958   0.4945   14.508   41.700  -2.94   5.76   1.24   2.71 
1 1 1    8   10   33 o   5.7182   0.5562   9.5994 -125.5000   0.59  -0.69   0.19   0.33 
1 1 1    8   10   34 o   3.8067   0.7678   7.2159   56.300   0.19  -0.15  -0.14   0.06 
1 1 1    8   10   35 o   7.4985   0.5204   9.7252 -13.3000  -0.07   0.00   0.03   0.01 
1 1 1    8   11    0 o   32.921   0.2577   40.465   0.5000  -0.04   0.00   0.00   0.00 
1 1 1    8   11    1 o   14.788   0.5798   7.9136 -39.5000   2.12   0.94  -0.35  -0.41 
1 1 1    8   11    2 f   53.638   2.0223   57.218  135.600 -29.40  -6.93  -6.96  -3.77 
1 1 1    8   11    3 o   51.621   1.7732   53.931  119.100 -21.50   0.84  -5.51   0.22 
1 1 1    8   11    4 o   41.210   3.6799   46.825 -11.1000  92.16  77.22  -5.50 -33.45 
1 1 1    8   11    5 o   38.050   0.8553   49.164   17.300  11.15  -2.54  -4.08   1.74 
1 1 1    8   11    6 f   80.156   0.9369   72.440  178.100  -7.38   4.02  -1.81   5.16 
1 1 1    8   11    7 o   18.052   1.5303   36.488  -6.5000   2.96 -10.31   1.87   1.11 
1 1 1    8   11    8 f   20.310   0.1862   10.578 -112.4000   0.18   0.15  -0.45  -0.41 
1 1 1    8   11    9 o   54.224   0.9265   67.416  166.900 -11.00 -13.16   2.05  -7.51 
1 1 1    8   11   10 o   24.999   1.8402   24.079 -167.1000 -25.08 -20.50  -1.46  -6.75 
1 1 1    8   11   11 o   40.532   1.2437   37.473 -99.0000  30.53 -13.14  -6.97   7.00 
1 1 1    8   11   12 o   73.076   0.4211   67.070 -89.4000   4.88  -3.05  -1.49   1.93 
1 1 1    8   11   13 o   34.019   0.5561   43.926 -15.0000  -0.46  -4.90   2.44  -0.73 
1 1 1    8   11   14 o   23.051   1.3430   15.975 -80.1000 -17.33   3.92  -6.28   3.27 
1 1 1    8   11   15 o   40.522   1.4577   44.272  171.300  -9.45   2.99  -2.60   1.49 
1 1 1    8   11   16 o   6.2586   0.9821   15.636 -112.4000  -1.98  -3.45   0.60  -0.96 
1 1 1    8   11   17 o   8.2715   1.8663   9.5528  116.600 -14.26  24.26   3.80   6.70 
1 1 1    8   11   18 o   49.345   1.6150   38.984 -71.4000  -1.11 -32.41   5.91  -0.71 
1 1 1    8   11   19 o   22.083   0.2040   25.813 -47.9000   0.74   0.08  -1.44  -1.43 
1 1 1    8   11   20 f   11.095   0.5959   22.406 -120.1000   5.34  -7.38   1.09   3.80 
1 1 1    8   11   21 o   10.561   1.0228   4.0547   84.700 -13.38   6.68  -3.16   3.92 
1 1 1    8   11   22 o   21.447   1.0508   28.802 -148.2000 -10.17  -6.62  -0.95  -2.50 
1 1 1    8   11   23 f   19.424   1.2805   17.961   45.700 -19.20  28.38   3.86   8.65 
1 1 1    8   11   24 o   3.6040   1.2524   10.185   96.300  -3.58  -0.18  -1.30  -0.22 
1 1 1    8   11   25 o   4.8551   0.4866   11.270 -78.6000  -0.01  -0.49   0.45  -0.19 
1 1 1    8   11   26 o   13.813   0.3416   4.8670 -94.9000  -0.50  -3.49   0.85  -0.38 
1 1 1    8   11   27 o   12.697   0.7156   11.082   84.200  -2.55   3.97   0.38   1.15 
1 1 1    8   11   28 o   7.0644   0.7915   5.2700 -64.4000   3.22  -2.22  -0.33   0.70 
1 1 1    8   11   29 o   13.283   0.2623   10.463 -17.9000   0.88   0.42   3.59  -1.26 
1 1 1    8   11   30 o   10.147   0.3354   6.5465  118.200  -6.67   0.77  -6.09   0.09 
1 1 1    8   11   31 o   23.212   1.3617   16.500  109.400   1.47  33.75  13.40  -2.86 
1 1 1    8   11   32 o   19.074   0.5420   16.889 -64.3000   2.36  -2.75   0.64   1.16 
1 1 1    8   11   33 o   5.9261   1.1945   6.0794 -67.7000   0.21  -3.32   0.59  -0.01 
1 1 1    8   11   34 o   12.796   0.3380   13.483 -127.0000   0.11   0.05   0.02  -0.01 
1 1 1    8   11   35 o   16.232   0.2868   17.858   14.100   0.81  -0.07   0.98  -0.39 
1 1 1    8   12    0 o   16.799   0.2261   4.1275  -5.3000  -0.06   0.00   0.00   0.00 
1 1 1    8   12    1 o   32.837   0.8334   34.494 -174.2000  -4.65   4.64   0.18   2.44 
1 1 1    8   12    2 o   47.135   0.2215   30.908 -165.0000   0.20   0.44   1.58   1.36 
1 1 1    8   12    3 o   86.996   0.3653   77.334   26.100   0.07  -0.11  -0.04  -0.07 
1 1 1    8   12    4 o   46.276   1.7585   30.537   80.200  -7.20  21.53   4.92   4.12 
1 1 1    8   12    5 o   58.926   2.0178   59.867 -145.7000 -30.46  14.56  -7.64   8.37 
1 1 1    8   12    6 o   55.931   1.7382   78.008 -155.4000 -17.95   2.73  -5.29   2.10 
1 1 1    8   12    7 o   63.449   4.3124   60.379  157.100 -165.37  41.54 -36.30  20.30 
1 1 1    8   12    8 o   29.086   0.1886   28.300   55.900  -0.09   0.05   0.58  -1.04 
1 1 1    8   12    9 f   12.392   1.8326   16.089 -24.6000  42.04   0.05 -11.51   0.05 
1 1 1    8   12   10 o   11.368   0.2407   0.3527   6.0000  -1.16  -0.90  -3.31  -7.70 
1 1 1    8   12   11 o   29.419   0.2252   40.203 -153.4000   0.36  -1.16   2.05   0.56 
1 1 1    8   12   12 o   23.593   0.5571   28.504 -79.2000  -0.32  -1.48   0.25  -0.09 
1 1 1    8   12   13 o   29.304   0.3926   26.176   81.800  -0.65   2.57   1.46   0.47 
1 1 1    8   12   14 o   14.149   0.3245   17.655 -22.0000   0.53  -0.46  -0.30   0.70 
1 1 1    8   12   15 o   25.074   0.9620   37.386 -40.6000   7.86   3.15  -2.83  -3.17 
1 1 1    8   12   16 o   38.060   1.6212   38.575 -160.8000 -14.69 -22.80   3.99  -7.88 
1 1 1    8   12   17 o   11.445   1.7645   21.522  176.200 -32.68  22.31  -5.28  12.91 
1 1 1    8   12   18 o   7.6142   0.3405   1.0895   2.2000   1.83  -0.69  -0.95   0.97 
1 1 1    8   12   19 o   13.502   1.6593   15.374   81.700  11.82  36.83   5.87  -4.32 
1 1 1    8   12   20 f   20.953   0.2035   32.086 -48.6000  -5.84  -4.78  -2.81  -8.46 
1 1 1    8   12   21 o   31.648   0.2157   20.349  104.000  -6.09  -5.50  -2.81  -8.27 
1 1 1    8   12   22 o   21.749   0.9863   24.381  171.100  -7.08 -27.32  21.51  -9.70 
1 1 1    8   12   23 o   19.146   0.4725   17.156   14.300  10.41  -5.30  -2.75   4.81 
1 1 1    8   12   24 f   34.926   0.3600   34.112 -143.6000   0.20   0.51  -0.43   1.02 
1 1 1    8   12   25 o   16.388   0.9009   20.152  139.900  -1.81  15.66   3.10   0.54 
1 1 1    8   12   26 o   21.128   0.2180   21.053   28.300   1.78  -1.66   1.54   2.84 
1 1 1    8   12   27 o   6.4911   0.5715   4.8910 -38.6000  -0.96   3.60   1.22   0.90 
1 1 1    8   12   28 o   10.394   0.3066   13.309 -126.8000   0.03  -2.48   1.87   0.86 
1 1 1    8   12   29 o   14.562   0.2473   12.417 -92.7000   1.06   0.22  -0.32  -0.41 
1 1 1    8   12   30 o   26.406   0.6053   23.060   10.400   4.07   2.96  -0.66  -0.97 
1 1 1    8   12   31 o   6.0924   0.5712   10.315  113.000   1.07   1.20  -0.06  -0.44 
1 1 1    8   12   32 o   5.0017   0.6129   0.7143   6.4000   0.22   2.82   1.06   0.03 
1 1 1    8   12   33 o   8.2347   0.4532   1.7539 -21.3000  -0.09   0.03   0.06  -0.02 
1 1 1    8   12   34 o   6.4483   1.7450   5.3763  -9.4000   3.21  -0.41  -0.36   0.04 
1 1 1    8   12   35 o   17.003   0.2741   12.731   10.400  -0.06  -0.34  -0.12  -0.06 
1 1 1    8   13    0 o   30.679   0.2554   30.170   0.1000   0.06   0.00   0.00   0.00 
1 1 1    8   13    1 o   24.995   0.3474   26.789 -165.0000  -2.24   1.67  -0.33   2.00 
1 1 1    8   13    2 o   38.296   1.2718   22.155  124.700 -20.21  -5.06  -9.48  -5.84 
1 1 1    8   13    3 o   37.357   2.2383   35.457  134.300 -36.98  -1.91 -10.64  -1.46 
1 1 1    8   13    4 o   63.778   1.6242   48.631   74.400  11.76  33.88   8.51  -6.15 
1 1 1    8   13    5 o   40.423   0.3018   39.279 -105.2000   6.73  -6.73  -0.50   6.71 
1 1 1    8   13    6 o   49.889   0.7932   41.195  -0.6000   6.89  -8.03   0.32   3.60 
1 1 1    8   13    7 o   36.521   1.2487   52.940 -60.6000  -8.99 -25.38   7.53  -6.46 
1 1 1    8   13    8 o   17.422   1.4852   24.338  155.200 -36.79 -13.71  -9.33  -8.24 
1 1 1    8   13    9 f   51.049   0.7314   39.277 -152.0000  -6.49  -1.92  -1.67  -1.37 
1 1 1    8   13   10 o   12.441   0.3314   23.015  171.400   0.01  -0.51   2.88  -1.38 
1 1 1    8   13   11 o   47.373   1.4276   44.515  138.600   1.32   5.22   0.80  -0.53 
1 1 1    8   13   12 o   36.825   1.4864   30.084 -109.1000  -1.73 -12.90   2.92  -0.59 
1 1 1    8   13   13 o   58.162   0.5035   66.906 -39.1000   0.52  -5.84   2.31  -0.08 
1 1 1    8   13   14 o   16.316   0.2144   11.516 -38.3000   0.30  -0.19  -0.01   0.04 
1 1 1    8   13   15 o   79.406   0.3553   76.952  137.700   1.83   6.51   1.11  -0.99 
1 1 1    8   13   16 o   47.781   0.8074   47.718   52.200  14.83   6.23  -3.60  -3.05 
1 1 1    8   13   17 o   21.670   0.6642   17.473 -127.0000   1.14  -6.28   2.17   0.99 
1 1 1    8   13   18 o   28.573   0.7537   22.023  143.900  -2.52   8.23   1.90   1.50 
1 1 1    8   13   19 o   26.112   0.2145   29.017 -30.6000   0.89   0.74   3.08  -4.41 
1 1 1    8   13   20 o   14.056   0.9579   19.831 -80.6000  12.92  -8.46  -2.92   5.89 
1 1 1    8   13   21 o   24.214   1.0304   14.560   52.800  -5.63  17.06   5.24   4.57 
1 1 1    8   13   22 o   23.379   0.2012   21.942 -172.3000  -0.60   0.11  -0.14   0.18 
1 1 1    8   13   23 o   6.4128   0.6647   6.9623   11.200   3.30  -4.12   0.34   2.37 
1 1 1    8   13   24 o   26.722   0.2116   29.288   29.800   1.30  -0.63   1.60   3.08 
1 1 1    8   13   25 f   7.5358   0.4083   8.3353 -73.4000   0.76  -1.31   0.21   0.61 
1 1 1    8   13   26 o   2.9689   0.7321   1.0446 -119.8000  -0.81   1.00   0.26   0.65 
1 1 1    8   13   27 o   3.1881   0.7208   6.3045   12.400  -0.13   0.17  -0.22   0.19 
1 1 1    8   13   28 o   6.4849   0.4388   3.7877   28.000  -0.92  -1.36   0.10  -0.70 
1 1 1    8   13   29 f   14.039   0.8457   22.436   23.000  13.80   4.65  -3.79  -3.66 
1 1 1    8   13   30 o   10.295   1.0697   9.3951 -54.2000   6.62  -2.40  -0.67   0.68 
1 1 1    8   13   31 o   9.4652   1.1708   10.450  106.800  -7.86  11.22   1.61   3.39 
1 1 1    8   13   32 o   14.664   0.3378   14.479 -44.1000   3.06  -0.09  -0.99  -0.32 
1 1 1    8   13   33 o   5.0853   1.2402   5.8680   15.700   2.03  -2.61   0.27   0.62 
1 1 1    8   13   34 o   10.331   0.4455   7.2183 -95.0000  -0.90   0.52  -0.00   0.17 
1 1 1    8   14    0 o   17.925   0.2990   18.277 -179.9000  -0.14   0.00   0.00   0.00 
1 1 1    8   14    1 o   40.241   0.4421   25.097 -79.2000   1.19  -1.42   0.04   0.69 
1 1 1    8   14    2 o   20.835   1.5262   14.846  150.400 -34.17  12.17  -7.50   6.27 
1 1 1    8   14    3 o   37.219   1.0080   40.017   17.600   5.58   9.38   0.88  -1.76 
1 1 1    8   14    4 o   40.731   0.5174   43.721  168.600  -5.62  -1.92  -1.71  -1.53 
1 1 1    8   14    5 o   13.367   1.5301   12.045  174.100 -29.00  25.07  -1.90  12.26 
1 1 1    8   14    6 o   17.633   0.2173   18.338   25.300  -0.05   0.66   2.61  -0.74 
1 1 1    8   14    7 o   30.101   1.2146   22.860   89.400  12.84   0.67  -3.77  -0.57 
1 1 1    8   14    8 o   54.035   0.2766   50.136   85.300  -0.18   0.02  -0.07  -0.13 
1 1 1    8   14    9 o   38.922   0.4900   35.942   99.600   1.68   1.14  -0.51  -0.79 
1 1 1    8   14   10 o   11.732   0.4121   18.152   95.100   0.03   0.25   0.07   0.00 
1 1 1    8   14   11 o   49.360   0.7956   44.606 -67.8000   1.72  -3.15   1.16   1.09 
1 1 1    8   14   12 f   34.791   0.2133   26.519   44.700  -0.61   0.55  -3.98   0.89 
1 1 1    8   14   13 o   68.615   0.3173   67.362   18.500   0.26   0.08  -0.02  -0.00 
1 1 1    8   14   14 o   28.024   1.6577   39.247 -133.8000 -39.66 -24.87  -5.19 -10.17 
1 1 1    8   14   15 o   12.116   0.2556   5.8271   91.000  -4.01  -1.59  -7.75  -5.57 
1 1 1    8   14   16 o   18.502   0.2074   25.982   32.900   0.26   0.07  -0.11  -0.02 
1 1 1    8   14   17 o   23.582   0.3575   26.716   77.300  18.86   0.67 -16.40   0.08 
1 1 1    8   14   18 o   3.7326   0.9604   18.206  100.100   0.31   3.72   1.48  -0.17 
1 1 1    8   14   19 o   7.2887   1.2422   17.483 -142.4000   4.66  -7.18   0.68   1.64 
1 1 1    8   14   20 o   30.145   0.2093   23.496   13.800   0.74   0.42   4.78   0.99 
1 1 1    8   14   21 o   10.016   0.5949   9.5121   93.600   4.90   7.74   2.65  -4.55 
1 1 1    8   14   22 o   29.992   0.3754   19.156  163.300  -0.88   2.83   0.65   0.24 
1 1 1    8   14   23 o   11.155   0.3005   6.2783  -1.8000  -0.67  -0.17  -0.16  -0.04 
1 1 1    8   14   24 o   31.327   0.6095   22.308 -139.0000   0.20  -7.69   2.68  -0.55 
1 1 1    8   14   25 o   14.683   1.2410   10.581  104.000  -1.73  30.88   8.27   0.49 
1 1 1    8   14   26 f   9.7777   0.3405   12.534   2.9000   0.23   0.64   0.22  -0.04 
1 1 1    8   14   27 o   12.789   1.1487   13.003  114.000  -1.96  10.40   1.94   1.04 
1 1 1    8   14   28 o   18.580   0.4978   21.858 -55.7000   3.49  -1.05  -1.57   0.39 
1 1 1    8   14   29 o   14.664   0.6098   15.941 -45.7000   7.73   1.26  -2.69  -1.50 
1 1 1    8   14   30 o   15.634   0.5093   14.375  -0.8000   2.32   2.98  -0.02  -1.00 
1 1 1    8   14   31 o   5.2942   0.7571   7.0688  159.000  -1.96  -2.86   0.76  -1.18 
1 1 1    8   14   32 o   0.0000   2.2967  ?   ?   -0.07  -0.18   0.02  -0.02 
1 1 1    8   14   33 o   9.0511   0.6420   7.9773   80.900   0.23   0.60   0.02  -0.03 
1 1 1    8   15    0 o   0.0000   3.6606   4.5893  -3.3000   0.00   0.00   0.00   0.00 
1 1 1    8   15    1 o   12.626   1.4834   19.683  157.600 -10.75   2.14  -1.97   0.86 
1 1 1    8   15    2 o   41.452   0.2304   43.215 -10.6000  -0.13   0.07   0.17   0.14 
1 1 1    8   15    3 o   10.132   0.4036   7.3401  142.300   2.64  -0.57  -4.39   2.59 
1 1 1    8   15    4 o   45.432   0.8437   43.607  125.200   3.04   3.49   0.04  -1.03 
1 1 1    8   15    5 f   62.655   1.0791   46.752 -138.2000   0.83   1.02   0.02  -0.05 
1 1 1    8   15    6 o   70.805   0.3359   69.388   13.400  -0.19   0.01   0.21  -0.10 
1 1 1    8   15    7 o   67.379   0.6273   61.001 -43.2000  -0.16  -2.06   1.11  -1.13 
1 1 1    8   15    8 o   73.936   0.8093   67.280  131.100  -8.48  -1.40  -3.18  -2.13 
1 1 1    8   15    9 o   28.268   0.5052   34.320  107.800  -0.13   1.88   0.90  -0.05 
1 1 1    8   15   10 f   0.0000   2.1503  ?   ?    0.00   0.00   0.00   0.00 
1 1 1    8   15   11 f   47.820   0.6521   33.764 -81.0000  -4.37  -0.31  -0.52  -0.12 
1 1 1    8   15   12 o   23.291   0.7199   18.894   34.500  10.36   1.53  -4.31  -1.07 
1 1 1    8   15   13 o   27.572   0.3021   32.992 -36.4000  -2.71  -5.56   5.48 -11.67 
1 1 1    8   15   14 o   22.564   0.2404   13.024   81.300  -0.77   1.56   0.38   0.70 
1 1 1    8   15   15 o   7.7885   0.3459   18.526  173.800   0.60  -0.40  -0.47   0.68 
1 1 1    8   15   16 o   33.236   0.6423   26.697  -4.9000   4.60  12.70   3.80  -2.65 
1 1 1    8   15   17 o   11.437   0.8910   15.191 -61.2000  -2.47  -1.75  -0.07  -0.25 
1 1 1    8   15   18 f   5.3005   0.9184   16.548  108.600  -3.96  -1.78  -0.73  -0.90 
1 1 1    8   15   19 o   30.392   0.2115   17.857 -69.2000   0.09  -0.12   0.01   0.01 
1 1 1    8   15   20 o   29.532   0.5074   27.610 -63.5000   2.00  -2.86   0.10   0.71 
1 1 1    8   15   21 f   16.637   0.2284   15.257   66.800   0.85  -0.18  -0.24   0.23 
1 1 1    8   15   22 o   18.042   0.2165   15.172 -70.0000  -0.04   1.64   1.04   0.50 
1 1 1    8   15   23 o   13.351   0.6211   19.489 -111.4000   7.55  -5.84  -1.39   3.59 
1 1 1    8   15   24 o   19.178   0.5678   17.185   31.800  -0.71  10.12   3.16   0.88 
1 1 1    8   15   25 o   10.822   0.3043   5.5157  -1.6000   0.18   0.63   0.10  -0.11 
1 1 1    8   15   26 o   11.677   0.2779   8.2119 -165.0000  -1.36   0.37   2.58   4.99 
1 1 1    8   15   27 o   13.763   0.6580   8.3976 -154.2000  -6.78   4.73  -1.90   3.17 
1 1 1    8   15   28 o   8.4728   0.3728   8.0997 -119.9000  -1.30  -0.62  -0.20  -0.16 
1 1 1    8   15   29 o   17.765   0.3369   15.637   44.200   1.19  -0.42  -0.72  -0.11 
1 1 1    8   15   30 o   4.8362   0.6468   3.6430   12.900   0.14   0.07  -0.00  -0.01 
1 1 1    8   15   31 o   17.682   1.1109   16.591   89.700   1.22  14.26   3.04  -1.07 
1 1 1    8   15   32 o   18.913   1.0307   14.910 -66.5000   5.88  -9.94   0.59   1.75 
1 1 1    8   15   33 o   12.893   0.9525   11.046   64.000   9.92   1.98  -2.89  -0.38 
1 1 1    8   16    0 o   17.835   0.5623   2.5741 -172.4000   0.05   0.00   0.00   0.00 
1 1 1    8   16    1 o   39.163   0.2810   27.779 -99.0000   0.07   0.43   0.14  -0.30 
1 1 1    8   16    2 o   39.434   1.4609   28.868   4.7000  13.45   3.54  -3.46  -2.38 
1 1 1    8   16    3 o   35.380   0.2470   38.812 -92.5000   0.20   0.83   0.47  -0.99 
1 1 1    8   16    4 o   52.903   1.0856   49.150  152.600  -9.04  -4.59  -1.85  -3.59 
1 1 1    8   16    5 o   34.435   0.4913   40.227 -148.5000   0.31  -1.90   0.44   0.07 
1 1 1    8   16    6 o   42.686   1.4899   45.732   5.8000  13.78  -1.37  -2.87   0.81 
1 1 1    8   16    7 o   55.209   0.4389   49.296 -59.9000   1.48  -0.63  -0.72   0.26 
1 1 1    8   16    8 o   22.517   1.9476   35.504 -153.6000 -34.80 -17.91  -4.47  -6.03 
1 1 1    8   16    9 o   21.239   0.3613   18.501  118.200  -0.67   2.23   0.74   0.40 
1 1 1    8   16   10 o   24.134   0.8239   24.475 -37.2000   2.98 -13.04   3.22   1.71 
1 1 1    8   16   11 o   56.492   0.3001   61.697 -60.4000   0.92   0.87  -0.49  -0.59 
1 1 1    8   16   12 o   23.670   1.5591   23.469   31.400  35.59  -1.17  -9.53   0.92 
1 1 1    8   16   13 o   31.900   0.8057   31.785 -12.4000   6.58   0.34  -1.24  -0.03 
1 1 1    8   16   14 f   10.247   0.7045   9.5463 -156.9000 -10.05  -5.86  -2.68  -4.34 
1 1 1    8   16   15 o   28.739   0.4868   20.781 -133.4000  24.96  -7.33 -13.79   7.55 
1 1 1    8   16   16 o   25.219   0.6816   23.105 -82.6000  -5.75  -9.75   1.78  -2.66 
1 1 1    8   16   17 o   19.921   0.8829   20.165   55.000   9.32   6.67  -1.41  -3.33 
1 1 1    8   16   18 o   15.760   0.3019   10.160  114.000  -2.06   0.47  -0.87   0.66 
1 1 1    8   16   19 o   17.441   0.6902   18.920 -160.9000  -7.78   3.01  -1.70   1.91 
1 1 1    8   16   20 o   27.244   0.7229   28.729 -13.5000  10.21   2.55  -2.99  -1.08 
1 1 1    8   16   21 o   9.6564   0.3082   11.078   38.700   0.50  -0.67   0.28   0.40 
1 1 1    8   16   22 o   8.3484   0.7877   7.9214 -124.2000  -7.35  -0.17  -2.57   0.12 
1 1 1    8   16   23 o   17.399   0.2221   19.557 -21.5000   0.24   0.23   0.02  -0.04 
1 1 1    8   16   24 o   11.972   0.2916   11.014 -133.2000   0.22  -0.67   0.42   0.05 
1 1 1    8   16   25 o   14.677   1.4974   13.551   58.400   4.96  23.21   4.25  -2.39 
1 1 1    8   16   26 o   16.796   0.2380   10.193  164.600   0.18   0.45  -0.03  -0.22 
1 1 1    8   16   27 o   19.672   1.0783   19.558  104.500  -8.55  11.51   0.52   3.56 
1 1 1    8   16   28 o   4.0609   0.7259   4.1185 -116.1000   0.24   0.06  -0.01  -0.15 
1 1 1    8   16   29 o   12.277   0.7605   12.779 -24.2000   6.70   2.01  -2.15  -2.27 
1 1 1    8   16   30 o   8.8480   0.4216   7.1522   15.000   0.72   0.12  -0.23   0.07 
1 1 1    8   16   31 f   11.428   0.3989   5.8929  177.100  -0.67   0.08   0.85  -0.77 
1 1 1    8   16   32 o   7.4554   0.5346   7.7025  110.400   0.34  -0.15  -0.10  -0.23 
1 1 1    8   17    0 o   7.2250   0.5988   2.7623  -1.3000  -0.03   0.00   0.00   0.00 
1 1 1    8   17    1 f   0.0000   2.1993  ?   ?   -0.15  -0.03  -0.16  -0.03 
1 1 1    8   17    2 o   67.987   0.9431   67.141 -33.6000   7.10   1.99  -3.35  -4.14 
1 1 1    8   17    3 o   61.792   1.1231   60.808 -117.8000  -4.65  -7.81   1.61  -2.15 
1 1 1    8   17    4 o   23.570   1.1928   19.354  146.300 -10.11 -17.16   3.02  -5.06 
1 1 1    8   17    5 o   29.082   0.8612   43.879 -107.5000  -8.82 -10.47   0.49  -3.94 
1 1 1    8   17    6 o   67.473   0.4487   65.030 -11.5000   1.91   5.66   3.87  -1.38 
1 1 1    8   17    7 o   72.712   0.3639   64.024 -71.4000   4.45  -0.88  -3.96  -0.21 
1 1 1    8   17    8 o   25.928   1.1710   24.311 -156.2000 -23.91  -5.81  -5.92  -2.76 
1 1 1    8   17    9 o   12.732   0.2475   11.611  164.800  -0.17   2.81   4.43  -0.14 
1 1 1    8   17   10 o   32.665   1.3425   36.844 -25.5000  21.81 -12.09  -3.26   4.70 
1 1 1    8   17   11 f   27.929   0.8406   26.108 -39.6000  11.43  -3.37  -4.85   3.78 
1 1 1    8   17   12 o   13.262   0.4473   14.250  138.400   2.64   3.89   0.48  -1.48 
1 1 1    8   17   13 o   8.9311   0.7520   12.091  173.400  -8.05   0.82  -2.01   0.48 
1 1 1    8   17   14 o   3.9151   0.6640   8.7607  119.100  -0.57   0.85   0.43   0.71 
1 1 1    8   17   15 o   10.633   1.2891   3.1044   88.200  10.66   6.34  -1.07  -1.84 
1 1 1    8   17   16 o   14.788   1.9140   13.528 -99.7000 -25.19 -44.29   5.93 -10.59 
1 1 1    8   17   17 f   18.714   0.8950   13.900   8.1000   8.32   5.04  -1.09  -1.77 
1 1 1    8   17   18 o   15.383   0.4193   15.488  114.400  -4.92  -6.62   2.09  -4.53 
1 1 1    8   17   19 o   16.779   0.5723   9.3937   27.400   2.78   4.82   0.80  -1.06 
1 1 1    8   17   20 o   14.372   0.3338   5.9818 -38.1000  -0.53  -0.18  -0.05  -0.02 
1 1 1    8   17   21 o   17.827   0.2646   17.592   47.300   2.46   0.97  -1.52  -0.63 
1 1 1    8   17   22 o   19.946   0.3308   19.419 -43.1000   1.75  -2.73   1.16   1.23 
1 1 1    8   17   23 o   9.2935   0.4188   7.8875  167.500  -1.59  -0.41  -0.21  -0.16 
1 1 1    8   17   24 o   4.1298   0.6947   3.1201  107.700  -0.92  -0.12  -0.12  -0.06 
1 1 1    8   17   25 o   11.433   0.5990   8.7968   21.300   3.01  -0.08  -0.52   0.13 
1 1 1    8   17   26 o   11.410   0.5391   6.6020  159.500   0.50   6.64   2.39  -0.85 
1 1 1    8   17   27 o   2.8804   0.8781   0.3336   56.700   0.24   0.06  -0.09   0.02 
1 1 1    8   17   28 o   7.1153   0.5019   9.9002   72.300   0.23   0.47  -0.07   1.74 
1 1 1    8   17   29 o   5.8967   0.9320   8.0229  10.0000   1.12   1.54   0.14  -0.24 
1 1 1    8   17   30 o   9.5284   0.9717   6.9135   39.500  -0.35   4.91   1.03   0.41 
1 1 1    8   17   31 o   6.9309   0.5710   9.2388   30.000  -0.24  -0.12  -0.06   0.03 
1 1 1    8   18    0 o   22.334   0.2808   12.036  179.100   0.14   0.00   0.00   0.00 
1 1 1    8   18    1 o   37.554   0.5250   30.423 -162.8000  -8.14   2.66  -1.49   1.27 
1 1 1    8   18    2 o   41.598   1.1038   58.100 -64.0000  21.81   5.54 -10.20  -6.64 
1 1 1    8   18    3 o   46.580   0.2525   40.641 -69.4000  -2.19  -0.12  -0.86   0.12 
1 1 1    8   18    4 o   31.560   0.3319   34.237  116.500  -1.02   0.16  -3.17  -2.65 
1 1 1    8   18    5 o   9.2708   0.3232   5.4935 -158.0000  -0.77   0.43  -0.32   0.38 
1 1 1    8   18    6 o   29.646   1.1610   18.023   93.800  -9.75  18.00   2.81   4.84 
1 1 1    8   18    7 o   22.323   1.1013   27.147 -80.9000   3.61 -14.64   2.70   1.56 
1 1 1    8   18    8 o   16.658   1.7039   22.836 -129.9000 -38.09 -16.90  -6.73  -7.15 
1 1 1    8   18    9 o   12.814   0.6016   16.205  124.700  -0.16   8.40   2.30  -0.01 
1 1 1    8   18   10 o   17.830   0.7916   24.288 -90.0000  11.31 -13.62   0.78   5.44 
1 1 1    8   18   11 o   9.8998   0.8981   14.388 -60.6000   3.22  -6.04   0.57   0.91 
1 1 1    8   18   12 o   0.0000   2.0175  ?   ?    0.18   0.03  -0.31   0.01 
1 1 1    8   18   13 o   34.630   0.7279   31.813 -54.1000   5.64  -0.70  -1.49   0.68 
1 1 1    8   18   14 o   24.902   0.2069   18.182  102.000  -0.42  -0.18  -0.71   0.81 
1 1 1    8   18   15 o   16.148   0.5039   15.109  103.800  -2.47   2.74   0.35   1.38 
1 1 1    8   18   16 o   11.147   0.2848   10.628  121.600  -0.10  -0.16   0.13  -0.04 
1 1 1    8   18   17 o   11.766   1.4522   5.6744   7.3000  15.12  -5.99  -1.88   1.93 
1 1 1    8   18   18 o   5.3740   0.5839   5.1604  168.300  -1.28   0.67  -0.16   0.30 
1 1 1    8   18   19 o   8.9513   0.4779   6.0462  161.000  -4.45   2.15  -1.04   1.07 
1 1 1    8   18   20 o   6.2051   0.9811   5.6706   27.400   6.96   3.81  -2.02  -2.58 
1 1 1    8   18   21 o   13.983   0.2569   7.4918  177.200  -0.43   0.36   2.07  -0.41 
1 1 1    8   18   22 o   4.2235   0.7106   6.1226 -112.9000   1.99  -0.38  -0.66   0.10 
1 1 1    8   18   23 o   28.954   0.2220   27.494 -21.6000   1.54  -0.62   2.25  -1.60 
1 1 1    8   18   24 o   9.1334   0.3823   10.752   12.000   0.56   0.44  -0.06  -0.09 
1 1 1    8   18   25 o   4.6033   0.6239   0.5656   8.4000  -0.24  -0.07  -0.02  -0.00 
1 1 1    8   18   26 o   14.946   0.8199   15.033  135.500   9.39  11.82   0.32  -4.15 
1 1 1    8   18   27 o   5.3195   1.6248   7.7757  132.600  -3.32   2.92  -0.16   0.68 
1 1 1    8   18   28 o   8.5342   0.4898   8.4760 -177.2000  -0.10  -0.08   0.00  -0.00 
1 1 1    8   18   29 o   6.0474   0.6449   6.9735   18.500  -0.18  -0.77   0.08  -0.45 
1 1 1    8   18   30 o   8.9116   0.4442   9.2597 -14.2000   0.69   0.39   0.27  -0.33 
1 1 1    8   19    0 o   6.2610   0.6285   5.7676  -2.8000  -0.00   0.00   0.00   0.00 
1 1 1    8   19    1 o   48.056   0.2572   44.273  100.100   0.18  -0.38   0.21  -0.01 
1 1 1    8   19    2 o   8.1932   1.2015   6.1826 -39.1000   8.34  12.78   2.08  -4.45 
1 1 1    8   19    3 o   43.554   1.4872   37.915 -120.1000  -4.33 -28.94  10.41  -2.26 
1 1 1    8   19    4 o   7.4639   1.7801   19.000  104.900   9.00  25.85   5.36  -4.39 
1 1 1    8   19    5 o   24.101   0.6988   19.708   57.100  -3.64  12.41   8.53   6.91 
1 1 1    8   19    6 o   14.075   0.3283   4.1213 -96.3000   4.04  -5.70   1.41   3.24 
1 1 1    8   19    7 f   15.985   0.3024   12.603   7.0000   1.26  -3.06   1.45   1.92 
1 1 1    8   19    8 o   9.9948   0.4588   12.888 -140.2000  -7.19  -1.74  -2.86  -1.28 
1 1 1    8   19    9 o   14.883   1.4037   21.420   67.300   9.50  20.27   2.47  -3.16 
1 1 1    8   19   10 o   29.819   0.5488   23.089   41.900   2.82   6.42   0.96  -1.37 
1 1 1    8   19   11 o   19.415   0.7915   17.583   65.000  -4.71  11.26   2.89   3.45 
1 1 1    8   19   12 f   28.238   0.6242   19.484  165.800   0.23   3.36   0.78   0.05 
1 1 1    8   19   13 f   12.928   0.2815   14.384 -138.7000  -2.91   0.88  -3.75   4.94 
1 1 1    8   19   14 o   31.624   0.8573   25.536   99.400  -4.14   4.33   0.21   0.93 
1 1 1    8   19   15 o   5.1047   0.5902   7.6946   70.900   2.18   0.35  -0.82  -0.15 
1 1 1    8   19   16 f   9.9018   0.3344   11.619 -164.1000   0.42  -0.44   2.97   0.11 
1 1 1    8   19   17 o   20.144   0.4676   14.209 -81.4000  -2.33  -6.43   1.71  -1.03 
1 1 1    8   19   18 o   21.224   0.8529   19.952  168.900  -4.36  17.12  10.66   3.59 
1 1 1    8   19   19 o   9.6906   1.6186   6.4870  -2.2000  11.50  18.34   1.95  -3.60 
1 1 1    8   19   20 o   7.0001   0.9331   4.5910   41.600   2.77  -0.16  -0.26   0.01 
1 1 1    8   19   21 o   1.7283   0.9425   4.5323   72.300  -0.14  -0.18   0.08  -0.07 
1 1 1    8   19   22 o   17.480   0.4375   13.282   72.700  -0.53   7.40   2.97   1.27 
1 1 1    8   19   23 o   19.559   0.6161   17.959  157.100  -1.92   3.75   0.20   0.44 
1 1 1    8   19   24 o   13.026   0.4993   15.351 -171.2000  -2.92   0.18  -0.75   0.34 
1 1 1    8   19   25 o   17.773   0.2590   15.858 -48.4000   0.13  -1.02  -0.55  -1.69 
1 1 1    8   19   26 o   19.457   0.5954   12.188  116.000  -5.50   8.28   1.65   2.33 
1 1 1    8   19   27 o   3.0613   0.9512   3.7896 -53.1000   0.17  -0.32  -0.01   0.12 
1 1 1    8   19   28 o   8.7927   0.6499   8.3298  129.600  -1.43   3.62   0.60   1.18 
1 1 1    8   19   29 o   0.0000   2.4159  ?   ?   -0.11   0.15  -0.01   0.03 
1 1 1    8   20    0 o   3.8341   0.8897   8.4404  178.400  -0.01   0.00   0.00   0.00 
1 1 1    8   20    1 o   35.936   0.3048   40.991  111.400  -2.93   2.35  -0.61   1.30 
1 1 1    8   20    2 o   28.714   0.6437   36.728 -120.5000 -26.82   7.44 -13.38   9.57 
1 1 1    8   20    3 o   8.3389   0.6001   13.613 -28.2000   2.84   0.03  -0.56  -0.04 
1 1 1    8   20    4 o   35.461   0.4314   36.569  123.100  -2.33   0.42  -2.83  -0.90 
1 1 1    8   20    5 o   31.130   0.2140   30.112   55.100   1.87  -0.02  -1.59   1.07 
1 1 1    8   20    6 o   41.863   0.3971   41.732  105.800  -0.12   0.44   0.02   0.13 
1 1 1    8   20    7 o   3.3357   0.7661   0.3801 -70.1000  -0.66  -0.84   0.05  -0.42 
1 1 1    8   20    8 o   20.206   0.3334   7.6629   59.400   0.85   5.11   1.29  -0.62 
1 1 1    8   20    9 o   16.398   0.2915   18.561   14.400   2.76  -8.21   5.18   2.92 
1 1 1    8   20   10 o   17.555   0.2287   19.148 -160.1000  -0.90  -1.40   0.03  -1.80 
1 1 1    8   20   11 o   25.029   0.5461   24.032   26.100   2.66   7.85   2.47  -1.38 
1 1 1    8   20   12 o   18.651   0.2439   8.1621  122.500  -2.73   2.43  -1.96   3.70 
1 1 1    8   20   13 o   26.145   0.5512   25.052 -50.2000   5.86  -3.45  -0.47   1.28 
1 1 1    8   20   14 o   10.443   0.3295   8.1261 -122.9000   0.48  -1.29   0.60   1.50 
1 1 1    8   20   15 o   15.246   0.3388   18.902   86.900  -1.54   0.57  -0.30   0.47 
1 1 1    8   20   16 o   14.194   0.2902   16.428  116.000   2.41   1.74   0.46  -3.29 
1 1 1    8   20   17 o   17.167   0.5644   16.124 -77.4000  -4.66  -3.84  -1.17  -2.62 
1 1 1    8   20   18 o   4.6235   0.8014   1.5419   65.100  -0.60  -1.94   0.34  -0.32 
1 1 1    8   20   19 o   7.7484   1.2057   2.6585 -43.4000   5.98  -3.56  -0.46   1.05 
1 1 1    8   20   20 o   7.7167   0.8807   7.8743 -179.7000  -6.49  -2.62  -1.37  -1.90 
1 1 1    8   20   21 o   5.9673   0.6811   4.9264 -131.9000   1.56  -2.47   0.22   0.90 
1 1 1    8   20   22 o   8.6184   0.3838   9.2347 -160.0000   1.57   1.09  -0.02  -0.64 
1 1 1    8   20   23 o   26.071   0.2214   28.028   22.600   1.28   2.15   1.99  -0.22 
1 1 1    8   20   24 f   12.530   0.3254   16.994 -21.8000   1.59   0.14  -0.32  -2.70 
1 1 1    8   20   25 o   3.3553   0.8648   1.6562   83.200  -0.11   0.13   0.11  -0.01 
1 1 1    8   20   26 f   19.163   0.2620   19.960  134.200   0.71   3.45   0.89  -1.72 
1 1 1    8   20   27 o   9.2750   0.9614   8.1924  114.700   0.46   5.54   1.02  -0.43 
1 1 1    8   20   28 o   9.3719   0.8704   8.4105  174.100  -0.61  -1.04   0.06  -0.05 
1 1 1    8   21    0 o   7.4565   0.5714   8.5327   0.3000   0.01   0.00   0.00   0.00 
1 1 1    8   21    1 o   28.828   0.2151   23.682   89.900   0.38   0.68  -3.01   3.23 
1 1 1    8   21    2 o   8.1067   0.3870   11.614   94.300  -0.12  -0.34   0.07  -0.09 
1 1 1    8   21    3 o   3.9871   0.6908   6.2036 -78.2000  -0.54   1.20   0.25   0.23 
1 1 1    8   21    4 o   9.3512   0.6647   2.0433  148.700  -2.99  -6.99   2.23  -1.99 
1 1 1    8   21    5 f   15.050   1.8669   16.215   91.200 -20.33  54.35  12.36  11.49 
1 1 1    8   21    6 o   12.387   0.2711   15.021 -115.1000   1.34  -3.28   2.37   1.56 
1 1 1    8   21    7 o   22.613   0.5675   21.691   98.800   3.77   7.25   0.87  -1.58 
1 1 1    8   21    8 o   16.682   0.6263   11.553 -166.2000  -5.25  -2.62  -0.66  -0.74 
1 1 1    8   21    9 o   7.9295   0.3963   15.259  118.300  -0.06   0.09   0.10  -0.02 
1 1 1    8   21   10 o   17.392   1.3249   15.113  127.500 -35.02  -5.55  -9.40  -3.67 
1 1 1    8   21   11 f   9.4560   0.5042   13.140   17.700   1.63   4.60   1.86  -1.11 
1 1 1    8   21   12 o   10.921   0.3038   13.667  148.100  -0.17  -0.18  -0.40  -0.04 
1 1 1    8   21   13 o   2.6267   1.2621   10.176   17.700  -1.04  -0.25  -0.22  -0.08 
1 1 1    8   21   14 o   15.678   0.3664   13.528   86.100   1.91   0.75  -0.22  -0.33 
1 1 1    8   21   15 o   3.6371   0.7926   5.8086  165.000  -0.02   0.31   0.10   0.08 
1 1 1    8   21   16 o   17.395   0.9482   13.510  110.700 -24.89  14.36  -4.50   6.49 
1 1 1    8   21   17 o   7.5002   0.5685   11.801 -28.5000   2.92  -2.24  -0.49   1.08 
1 1 1    8   21   18 o   13.196   0.3505   14.133 -166.3000   0.65  -3.51   1.37   1.44 
1 1 1    8   21   19 o   9.4783   0.8897   11.897 -31.2000   5.07   6.29   0.80  -1.99 
1 1 1    8   21   20 o   4.3601   0.6571   7.0070  119.000   0.57   0.21  -0.07  -0.14 
1 1 1    8   21   21 o   6.0164   1.0764   7.2960  134.000  -2.23   6.72   1.88   1.02 
1 1 1    8   21   22 o   7.4830   0.8496   7.5915   56.000  -4.29   3.02  -0.65   1.08 
1 1 1    8   21   23 o   20.211   0.2516   15.539  171.000  -0.06  -0.14   0.01   0.02 
1 1 1    8   21   24 f   16.390   0.2807   11.659 -170.1000   0.39  -1.07  -0.06   0.65 
1 1 1    8   21   25 o   11.240   0.3636   12.329 -51.3000   1.02  -0.45  -0.69  -0.11 
1 1 1    8   21   26 f   10.050   1.1866   11.402  135.700  -3.04   7.16   1.12   0.76 
1 1 1    8   21   27 o   6.2487   0.6809   7.4613   3.7000   0.17   0.30  -0.00  -0.02 
1 1 1    8   22    0 f   18.748   0.3224   24.351   0.3000   0.17   0.00   0.00   0.00 
1 1 1    8   22    1 o   5.9623   0.6232   5.8050 -158.0000   2.56  -2.68   0.30   1.81 
1 1 1    8   22    2 o   13.535   0.3341   6.2667 -140.7000   0.86  -3.36   1.69   1.58 
1 1 1    8   22    3 o   12.548   0.5144   14.641 -92.3000  -2.76  -0.80  -0.42  -0.20 
1 1 1    8   22    4 o   4.5216   0.9439   8.8892  171.100  -2.70   1.16  -0.58   0.50 
1 1 1    8   22    5 o   14.377   0.2591   5.8182  161.800  -0.98  -0.18  -0.40  -0.45 
1 1 1    8   22    6 f   12.164   0.5516   8.0421 -140.9000  -3.46  -1.68  -0.51  -0.50 
1 1 1    8   22    7 o   5.6827   0.6443   5.5222 -134.0000  -0.17   0.43   0.02   0.02 
1 1 1    8   22    8 o   14.076   0.3104   3.2346  135.600   0.09   6.92   6.55  -1.96 
1 1 1    8   22    9 o   2.8844   0.8349   8.5005 -71.8000   0.07  -0.35   0.03   0.02 
1 1 1    8   22   10 o   10.004   1.1601   13.811 -146.0000  -9.20  -7.38  -0.73  -2.41 
1 1 1    8   22   11 o   1.7741   1.1060   3.7039   97.800   0.80  -0.26  -0.11   0.06 
1 1 1    8   22   12 o   4.2369   0.9399   6.2050  102.600   1.08  -1.50   0.18   0.35 
1 1 1    8   22   13 o   7.4214   0.5415   1.2616 -56.8000   0.49   0.47  -0.01  -0.05 
1 1 1    8   22   14 o   16.457   0.8060   11.039  176.300  -7.57 -15.40   3.80  -3.87 
1 1 1    8   22   15 o   16.804   0.2469   14.208   57.600   0.10   0.87   0.43   0.23 
1 1 1    8   22   16 o   18.266   0.2416   16.521 -75.8000  -0.17  -0.34   0.00  -0.02 
1 1 1    8   22   17 o   5.9123   0.6316   4.4523 -86.1000  -3.46  -0.75  -1.32  -0.22 
1 1 1    8   22   18 o   7.0070   0.4911   12.194 -20.7000   0.10  -0.73   0.66  -0.75 
1 1 1    8   22   19 o   3.5086   1.1172   6.5403  103.700  -1.13  -0.15  -0.15  -0.08 
1 1 1    8   22   20 o   16.897   0.2669   13.377 -126.7000  -1.04  -1.25   1.87  -0.41 
1 1 1    8   22   21 o   15.680   0.2654   9.4914   72.300  -1.18  -0.04  -0.12   1.45 
1 1 1    8   22   22 o   10.263   0.3727   6.8983   31.100  -0.17   0.10  -0.04  -0.00 
1 1 1    8   22   23 o   5.1877   0.6507   8.8283  -3.9000   0.12   0.06   0.01  -0.02 
1 1 1    8   22   24 o   10.008   0.4136   11.416 -40.3000  -0.15  -1.70   0.33  -2.32 
1 1 1    8   22   25 o   12.150   0.3819   12.248   35.100  -0.98   0.26  -0.20  -0.05 
1 1 1    8   22   26 f   6.9642   0.6307   7.6145  179.500  -0.47   0.42  -0.32  -0.19 
1 1 1    8   23    0 o   16.340   0.3534   18.752   0.3000   0.26   0.00   0.00   0.00 
1 1 1    8   23    1 o   20.616   0.2242   16.341 -104.0000   0.23  -0.13  -0.14  -0.09 
1 1 1    8   23    2 o   13.672   0.2746   13.918 -158.8000  -1.34   0.33  -0.68   1.39 
1 1 1    8   23    3 f   25.073   0.2243   14.992 -131.0000   0.38  -1.76  -3.78   5.13 
1 1 1    8   23    4 o   12.764   0.4762   8.7416  164.400  -3.76  -1.68  -0.95  -1.74 
1 1 1    8   23    5 o   11.401   0.4024   9.3971 -22.5000   1.26   1.55   0.39  -0.71 
1 1 1    8   23    6 o   9.4833   0.3544   9.0439 -53.9000   0.25  -0.25   0.95  -0.74 
1 1 1    8   23    7 o   27.201   0.6310   21.486  106.400  -2.61   7.34   3.19   1.32 
1 1 1    8   23    8 o   8.7273   0.6084   7.8166 -161.5000  -4.50   0.28  -1.58   0.50 
1 1 1    8   23    9 f   21.130   0.6906   13.623 -142.8000  -2.40  -6.43   1.39  -2.01 
1 1 1    8   23   10 o   23.826   0.6099   16.145  132.200 -15.67  -0.44  -8.28  -2.44 
1 1 1    8   23   11 o   13.959   0.2703   12.482   66.300   0.31   0.21  -0.23  -0.01 
1 1 1    8   23   12 o   1.2396   1.1760   6.8968 -175.1000   0.99  -0.88  -0.06   0.25 
1 1 1    8   23   13 o   6.8974   0.8308   3.2916 -56.1000   3.04   2.11  -0.39  -0.70 
1 1 1    8   23   14 o   2.4756   0.8961   8.1509 -47.6000   0.19  -0.14  -0.26  -0.25 
1 1 1    8   23   15 o   5.9757   0.5650   9.5146  146.600  -0.31  -0.20   0.02  -0.07 
1 1 1    8   23   16 o   22.927   0.3309   16.939   68.900   8.95   1.00  -4.51   0.78 
1 1 1    8   23   17 o   7.9246   0.7068   4.8966  114.300  -0.62  -0.04  -0.03  -0.01 
1 1 1    8   23   18 o   14.554   0.2875   6.4652 -170.5000  -0.28  -0.13   0.12  -0.07 
1 1 1    8   23   19 o   7.9400   0.5189   8.5499   95.500  -1.10   1.69  -0.08   0.75 
1 1 1    8   23   20 o   8.6251   0.8786   13.173 -169.6000  -3.83  -1.83  -0.47  -0.39 
1 1 1    8   23   21 o   4.4918   0.8432   6.3784  146.200  -0.86  -1.28   0.26  -0.29 
1 1 1    8   23   22 o   1.9843   1.1387   3.7324  123.300  -0.38   0.21  -0.25   0.01 
1 1 1    8   23   23 o   6.9036   0.9763   5.3295 -171.2000  -1.04   3.02   0.34   0.55 
1 1 1    8   23   24 o   8.2162   0.5339   8.4501   21.800   0.06  -0.16   0.01  -0.01 
1 1 1    8   23   25 o   0.0000   2.6253  ?   ?   -0.05  -0.04   0.02  -0.01 
1 1 1    8   24    0 o   0.0000   3.3466   1.5275   0.3000   0.08   0.00   0.00   0.00 
1 1 1    8   24    1 o   13.407   0.2763   15.261 -102.7000  -0.20  -0.21  -0.02  -0.04 
1 1 1    8   24    2 o   4.3683   0.7035   6.6729 -128.2000  -0.23  -1.38   0.74   0.00 
1 1 1    8   24    3 o   8.7846   0.3881   5.5523 -148.4000   2.13  -2.75  -0.22   2.90 
1 1 1    8   24    4 f   9.7599   0.3962   5.0423   74.100   0.50   0.11  -0.09  -0.21 
1 1 1    8   24    5 o   11.124   0.5171   7.6314 -39.7000   2.45  -1.63  -0.53   0.73 
1 1 1    8   24    6 o   17.292   0.8126   18.040 -72.7000   2.54 -13.73   3.56   0.83 
1 1 1    8   24    7 o   3.6335   0.9203   6.1016   89.000  -2.03   0.02  -0.89  -0.22 
1 1 1    8   24    8 o   6.3393   1.3484   2.9255  169.400   2.11   5.80   0.78  -0.80 
1 1 1    8   24    9 o   17.824   0.8861   18.911 -103.6000   4.13 -21.20   4.60   2.51 
1 1 1    8   24   10 f   12.367   0.3082   15.021 -95.9000   0.00   0.31   0.03   0.04 
1 1 1    8   24   11 o   10.073   0.4151   11.669 -60.1000   2.81  -1.28  -0.67   0.39 
1 1 1    8   24   12 o   14.166   0.2958   15.830   10.400   1.00   0.49   1.07  -0.73 
1 1 1    8   24   13 o   7.0623   0.4910   7.8083  168.800  -0.26   0.13   0.02  -0.39 
1 1 1    8   24   14 o   3.6956   1.1524   13.685 -157.0000  -0.85  -1.00   0.15  -0.30 
1 1 1    8   24   15 o   4.8247   0.7099   7.8650  119.100  -1.57  -0.37  -0.44  -0.67 
1 1 1    8   24   16 o   12.187   0.3310   14.482 -68.8000  -0.30   1.19   0.23   0.01 
1 1 1    8   24   17 o   8.3865   0.4585   3.9350 -109.2000   0.89  -1.28  -0.07   0.42 
1 1 1    8   24   18 o   6.8530   0.5777   6.4856  -6.9000   0.93   0.66   0.87  -0.70 
1 1 1    8   24   19 o   8.3413   0.4918   4.2269 -135.6000   1.09   0.27  -0.43   0.11 
1 1 1    8   24   20 o   9.5243   0.5864   10.287 -164.1000  -1.52  -0.75   0.02  -0.59 
1 1 1    8   24   21 o   19.159   0.2817   22.233   60.800   1.25   0.42  -0.27   1.05 
1 1 1    8   24   22 o   11.029   0.4090   7.4721   90.300   1.26   1.03  -0.55  -0.30 
1 1 1    8   24   23 f   3.7295   0.9974   8.4187 -143.0000  -0.11  -0.16  -0.02  -0.01 
1 1 1    8   25    0 o   19.155   0.3687   23.373   0.0000   0.64   0.00   0.00   0.00 
1 1 1    8   25    1 o   9.6645   0.5481   4.5196 -171.6000  -2.41  -3.52   0.18  -1.15 
1 1 1    8   25    2 f   14.348   0.6668   25.159 -138.4000  -9.15   2.79  -2.23   2.21 
1 1 1    8   25    3 o   5.6361   1.0460   7.7605   4.7000  -0.62   0.24  -0.03   0.02 
1 1 1    8   25    4 f   13.117   0.3350   17.408  112.300   3.65   3.56  -2.75  -5.00 
1 1 1    8   25    5 o   13.484   0.5245   8.2598   36.100   0.01   3.70   0.70  -0.24 
1 1 1    8   25    6 f   9.5473   0.4200   9.5741 -178.8000  -0.69  -1.29   0.04  -0.27 
1 1 1    8   25    7 o   9.3838   0.4097   6.5940  112.600  -0.88   2.30   1.52   0.15 
1 1 1    8   25    8 o   0.0000   2.3160  ?   ?    0.25  -0.15  -0.32  -0.03 
1 1 1    8   25    9 o   0.9144   1.1223   9.9801 -28.0000   0.65   1.30   0.27  -0.23 
1 1 1    8   25   10 o   6.7486   1.0232   6.1285   57.500   3.53   1.29  -0.63  -0.33 
1 1 1    8   25   11 o   5.8977   1.0706   7.4686  119.700   0.84   2.59   0.28  -0.31 
1 1 1    8   25   12 o   16.190   0.2805   12.741  178.900   0.41  -0.47  -0.48  -0.32 
1 1 1    8   25   13 o   10.854   1.2623   6.9163 -96.8000  -1.24  -7.93   0.98  -0.15 
1 1 1    8   25   14 o   16.855   0.4505   15.311 -92.5000  -3.00  -5.25   0.37  -1.94 
1 1 1    8   25   15 o   8.1668   0.4932   10.734   77.400  -1.20  -1.34  -0.19  -0.44 
1 1 1    8   25   16 o   9.2916   0.4351   11.829   99.300  -0.34   0.25  -0.12  -0.31 
1 1 1    8   25   17 f   12.457   0.6522   9.1904   60.400  -2.06   3.04  -0.03   1.05 
1 1 1    8   25   18 o   2.0740   1.2302   4.5072 -123.3000  -0.00  -0.30   0.04   0.03 
1 1 1    8   25   19 o   12.998   0.3645   6.6500   88.500   1.61   1.58  -0.25  -0.39 
1 1 1    8   25   20 o   17.122   1.0357   12.847  169.600  -9.56  -5.35  -1.25  -1.16 
1 1 1    8   25   21 o   6.2198   0.6712   9.5466 -177.5000  -0.41   0.11   0.07   0.09 
1 1 1    8   25   22 o   0.0000   2.7247  ?   ?    0.09   0.02  -0.02   0.03 
1 1 1    8   26    0 o   13.081   0.4004   11.911   0.6000   1.00   0.00   0.00   0.00 
1 1 1    8   26    1 o   14.518   0.3530   11.411   92.200  -2.79  -0.67  -0.46  -1.24 
1 1 1    8   26    2 o   12.813   0.3239   14.906 -139.5000  -1.13  -0.81   0.46  -0.59 
1 1 1    8   26    3 f   9.9690   0.5347   6.1113   51.800   1.22  -0.69  -0.15   0.12 
1 1 1    8   26    4 o   9.4286   0.4779   11.680   86.300  -2.09   0.44  -0.39   0.47 
1 1 1    8   26    5 o   13.609   0.9241   14.197  -5.0000  11.23   7.84  -0.64  -4.25 
1 1 1    8   26    6 o   10.847   0.4540   5.5602   33.400   1.00   0.46   0.43   2.17 
1 1 1    8   26    7 o   15.667   0.3801   6.8877   54.400  -5.73   4.80  -2.46   3.57 
1 1 1    8   26    8 o   17.441   0.2621   15.371 -154.6000   1.77  -2.23  -0.55   1.19 
1 1 1    8   26    9 o   13.783   0.3054   13.130 -145.0000  -0.85  -0.05   0.31   0.94 
1 1 1    8   26   10 o   3.7604   1.6968   5.8649 -139.2000  -1.03  -0.71  -0.02  -0.10 
1 1 1    8   26   11 o   6.5469   0.5942   4.0733 -129.6000  -0.95  -2.06   0.19  -0.77 
1 1 1    8   26   12 f   8.7326   0.7821   8.7828   32.400   3.00   3.04   0.26  -0.80 
1 1 1    8   26   13 o   2.5811   1.2422   1.5148  133.500  -0.42   1.12   0.13   0.25 
1 1 1    8   26   14 f   6.6548   0.5619   9.2951 -123.0000  -0.39   0.24  -0.25  -0.22 
1 1 1    8   26   15 o   18.189   0.3652   17.922   96.100  -3.66  -0.09  -1.33  -1.29 
1 1 1    8   26   16 o   5.2182   0.7586   5.1040 -165.5000  -0.03  -0.24   0.00   0.07 
1 1 1    8   26   17 o   8.5600   1.5125   10.647 -136.9000  -5.47  -0.91  -0.73  -0.06 
1 1 1    8   26   18 o   2.4957   1.2525   1.3417 -68.2000  -0.08  -0.36  -0.03  -0.10 
1 1 1    8   26   19 o   8.3438   0.5517   6.9724 -88.5000  -0.15  -0.61  -0.11  -0.14 
1 1 1    8   26   20 o   9.7585   1.0438   5.0558 -107.0000  -3.10  -3.75   0.55  -0.70 
1 1 1    8   27    0 o   6.9354   0.8428   13.510   0.3000   0.25   0.00   0.00   0.00 
1 1 1    8   27    1 o   8.3251   0.7973   2.8306 -100.0000   1.76  -2.65   0.77   0.56 
1 1 1    8   27    2 o   11.990   0.3860   18.551 -102.1000   3.65  -1.80  -3.72   0.49 
1 1 1    8   27    3 o   19.207   0.7819   17.188 -10.3000  10.25  -2.23  -2.01   1.80 
1 1 1    8   27    4 o   5.4564   0.8148   6.8892   46.900   1.14   1.15  -0.22  -0.35 
1 1 1    8   27    5 o   10.944   0.3923   7.1549   10.300  -0.09   0.27  -0.10  -0.10 
1 1 1    8   27    6 o   5.3147   0.7238   7.1198  139.300   0.37  -0.17   0.28  -0.27 
1 1 1    8   27    7 o   12.306   0.5596   11.376 -173.4000  -0.02   0.94   0.07  -0.04 
1 1 1    8   27    8 o   2.7946   1.0881   4.3481 -62.0000   0.24  -0.14  -0.00  -0.19 
1 1 1    8   27    9 o   14.303   0.4757   12.923 -38.9000   0.90  -3.70   2.85  -1.20 
1 1 1    8   27   10 o   4.2570   1.1582   5.5734 -16.6000  -1.17  -1.61   0.26  -0.30 
1 1 1    8   27   11 o   9.5519   0.6540   6.5078  -8.8000   1.25   0.49  -0.19  -0.03 
1 1 1    8   27   12 o   10.060   0.4368   8.0227  133.100   0.99  -0.40  -0.19   0.02 
1 1 1    8   27   13 o   5.2179   0.7366   3.6589 -52.3000  -0.23  -0.98   0.26   0.08 
1 1 1    8   27   14 o   18.271   0.2929   16.145 -89.2000   0.50  -0.77   0.28  -0.17 
1 1 1    8   27   15 o   6.9004   1.1526   3.6157   35.500   3.24   2.22   0.08  -0.92 
1 1 1    8   27   16 f   4.3767   1.0735   6.3712  125.700  -0.62   0.38   0.00   0.06 
1 1 1    8   27   17 o   6.8837   0.6706   8.2203 -83.3000   0.27  -0.02   0.01  -0.03 
1 1 1    8   27   18 o   4.5929   0.8251   11.227 -57.7000   0.09  -0.37   0.00   0.04 
1 1 1    8   28    0 f   16.929   0.4739   21.433  -0.4000   1.11   0.00   0.00   0.00 
1 1 1    8   28    1 o   10.181   0.5261   6.9898  125.800  -0.06   1.64   0.33  -0.28 
1 1 1    8   28    2 o   0.0000   2.7112  ?   ?   -0.05   0.17   0.02  -0.08 
1 1 1    8   28    3 o   10.220   0.4931   6.2834  123.600   0.27   0.30   0.05   0.13 
1 1 1    8   28    4 o   10.048   0.4559   9.3329   69.500  -1.66   0.45   0.23   1.12 
1 1 1    8   28    5 o   15.251   0.3640   12.054   86.200   0.52  -0.17   0.01  -0.19 
1 1 1    8   28    6 o   13.424   0.5064   9.9567   53.600  -2.11   5.28   0.58   1.45 
1 1 1    8   28    7 o   5.3100   1.5206   4.8471   63.900  -1.67   1.05  -0.14   0.16 
1 1 1    8   28    8 o   1.6374   1.1958   1.4486 -68.2000  -0.20  -0.28  -0.24   0.00 
1 1 1    8   28    9 o   9.4079   0.5307   7.6673  141.500   0.16   0.36  -0.01  -0.03 
1 1 1    8   28   10 o   11.260   0.4168   5.8186   39.700  -0.42   1.13   0.44  -0.34 
1 1 1    8   28   11 o   8.9822   0.5348   10.856 -48.1000   1.34  -0.54  -0.46  -0.12 
1 1 1    8   28   12 o   11.937   0.4311   11.874   46.100   0.54  -0.81  -0.41  -0.40 
1 1 1    8   28   13 o   8.2935   1.6536   8.3308 -41.8000   1.65   2.60   0.18  -0.18 
1 1 1    8   28   14 f   1.2856   1.3518   2.2396 -107.9000   0.64   0.41  -0.08  -0.06 
1 1 1    8   28   15 o   0.0000   2.6859  ?   ?    0.02   0.11  -0.03  -0.04 
1 1 1    8   29    0 o   9.6850   0.8075   8.3833  -0.7000   0.09   0.00   0.00   0.00 
1 1 1    8   29    1 o   0.0000   2.7013  ?   ?    0.19  -0.05   0.12  -0.03 
1 1 1    8   29    2 f   8.7418   0.8502   3.2401 -93.7000   2.85  -0.62  -0.39  -0.01 
1 1 1    8   29    3 o   5.8911   0.8331   7.6760 -121.5000  -0.25  -0.30   0.02   0.12 
1 1 1    8   29    4 f   12.970   0.4747   11.453   46.500   2.47   1.80  -1.39  -0.26 
1 1 1    8   29    5 o   0.0000   2.8543  ?   ?   -0.06  -0.03   0.01   0.01 
1 1 1    8   29    6 o   16.897   0.3793   14.466   71.300  -0.06   0.40  -0.07  -0.01 
1 1 1    8   29    7 o   12.245   0.4206   9.9033  120.900  -0.35   0.16  -0.02  -0.06 
1 1 1    8   29    8 o   9.7012   0.4841   4.4501 -38.6000   0.96   0.24  -0.02  -0.12 
1 1 1    8   29    9 o   10.099   0.5089   11.160 -29.6000   1.06   0.59   0.26  -0.23 
1 1 1    8   29   10 o   0.0000   2.9491  ?   ?   -0.24  -0.08   0.03  -0.04 
1 1 1    8   29   11 o   7.6278   0.7521   8.5758 -28.0000   0.42  -0.09   0.01   0.03 
1 1 1    8   29   12 o   3.5133   1.1865   1.0156  120.400   0.16   0.17   0.02   0.02 
1 1 1    8   30    0 o   8.2583   0.9836   9.7674  -0.3000   0.29   0.00   0.00   0.00 
1 1 1    8   30    1 o   8.4122   0.7943   7.3293 -127.9000  -0.27  -0.52   0.03   0.08 
1 1 1    8   30    2 o   9.6490   0.7920   12.782   73.800  -0.09   1.90   0.13  -0.35 
1 1 1    8   30    3 o   2.4865   1.3399   4.3700   83.300   0.18  -0.11   0.03   0.01 
1 1 1    8   30    4 o   3.7712   1.8634   0.7190  130.400  -1.12   1.41   0.12   0.18 
1 1 1    8   30    5 o   4.7236   1.2064   11.386  137.800  -0.64   0.29   0.10   0.03 
1 1 1    8   30    6 o   14.414   0.4020   16.446   4.0000   1.31   0.37   0.44   0.08 
1 1 1    8   30    7 o   0.0000   3.0682  ?   ?    0.17  -0.32  -0.01   0.05 
1 1 1    8   30    8 o   0.0000   2.9970  ?   ?    0.08   0.15  -0.03  -0.01 
1 1 1    9    0    1 o   72.002   0.4397   72.609   89.700  -0.00  -0.86   0.00   0.00 
1 1 1    9    0    2 o   25.950   0.2481   24.885  -1.0000  -0.04   0.00   0.00   0.00 
1 1 1    9    0    3 o   92.282   0.5574   81.978 -90.2000   0.00   0.21   0.00   0.00 
1 1 1    9    0    4 o   87.182   0.5097   94.748 -179.9000  -0.18   0.00   0.00   0.00 
1 1 1    9    0    5 o   98.837   0.6174  107.317   90.200   0.00   0.28   0.00   0.00 
1 1 1    9    0    6 o  111.626   0.8213  121.511   0.1000   0.43   0.00   0.00   0.00 
1 1 1    9    0    7 o   12.946   0.2053   11.222 -90.7000   0.00   0.00   0.00   0.00 
1 1 1    9    0    9 o   23.186   0.2812   1.5024 -72.5000  -0.00  -0.17   0.00   0.00 
1 1 1    9    0   10 o   17.658   0.2154   3.1671  -1.3000   0.01   0.00   0.00   0.00 
1 1 1    9    0   11 o   55.200   0.3349   82.663   90.100  -0.00  -0.01   0.00   0.00 
1 1 1    9    0   12 o   13.248   0.2044   17.404  178.400  -0.01   0.00   0.00   0.00 
1 1 1    9    0   13 f   33.516   0.2429   12.855   90.500   0.00   0.22   0.00   0.00 
1 1 1    9    0   14 o   53.297   0.3514   45.766  179.600   0.14   0.00   0.00   0.00 
1 1 1    9    0   15 o   64.861   0.4144   37.409 -90.0000  -0.00  -0.58   0.00   0.00 
1 1 1    9    0   16 o   13.693   0.3488   12.329  177.700  -0.06   0.00   0.00   0.00 
1 1 1    9    0   17 o   30.858   0.3302   31.322 -90.5000   0.00   0.06   0.00   0.00 
1 1 1    9    0   18 o   8.8091   0.4734   7.5918  -6.9000  -0.03   0.00   0.00   0.00 
1 1 1    9    0   19 o   50.251   0.3517   31.123 -89.6000   0.00   0.02   0.00   0.00 
1 1 1    9    0   20 f   2.9496   0.8318   28.245  179.400   0.03   0.00   0.00   0.00 
1 1 1    9    0   21 o   8.2401   0.3601   7.1996   92.400  -0.00  -0.03   0.00   0.00 
1 1 1    9    0   22 o   44.447   0.3272   47.663  179.900  -0.54   0.00   0.00   0.00 
1 1 1    9    0   23 o   5.2154   0.5442   12.942 -89.1000  -0.00  -0.04   0.00   0.00 
1 1 1    9    0   24 o   70.631   0.4600   60.329  -0.2000  -0.22   0.00   0.00   0.00 
1 1 1    9    0   25 o   14.335   0.3106   21.259   89.900   0.00   0.07   0.00   0.00 
1 1 1    9    0   26 o   12.264   0.3178   11.719  -0.5000  -0.02   0.00   0.00   0.00 
1 1 1    9    0   27 o   36.682   0.3068   36.384 -90.0000  -0.00  -0.03   0.00   0.00 
1 1 1    9    0   28 o   10.803   0.3582   4.9953  178.800   0.05   0.00   0.00   0.00 
1 1 1    9    0   29 o   8.3066   0.4342   12.362   90.200   0.00   0.20   0.00   0.00 
1 1 1    9    0   30 o   4.0249   0.7869   2.0695 -175.7000  -0.03   0.00   0.00   0.00 
1 1 1    9    0   31 f   19.524   0.3051   5.1492 -90.5000  -0.00  -0.41   0.00   0.00 
1 1 1    9    0   32 o   25.603   0.3087   22.318  -0.1000  -0.30   0.00   0.00   0.00 
1 1 1    9    0   33 o   15.274   0.3488   16.431 -90.2000   0.00   0.32   0.00   0.00 
1 1 1    9    0   34 o   2.6268   1.1561   6.9677  -0.6000   0.11   0.00   0.00   0.00 
1 1 1    9    0   35 o   4.7329   0.9437   6.2216   90.100   0.00   0.08   0.00   0.00 
1 1 1    9    0   36 o   4.6043   0.9829   2.2005  -1.5000  -0.04   0.00   0.00   0.00 
1 1 1    9    1    0 o   95.063   0.5574   74.270   90.200  -0.00  -0.31   0.00   0.00 
1 1 1    9    1    1 o   60.516   0.3591   73.734   75.900   3.00   1.00  -0.92  -0.98 
1 1 1    9    1    2 o   58.277   0.9874   39.614 -51.7000   4.34  -4.58  -0.00   1.26 
1 1 1    9    1    3 o   73.291   0.6876   70.044 -57.8000  -0.12  -0.47   0.12  -1.14 
1 1 1    9    1    4 o   10.240   1.1226   16.273   30.300 -17.28   2.78  -8.30   2.66 
1 1 1    9    1    5 o   46.232   0.8587   38.010  165.000  -2.14   4.77   3.35   3.06 
1 1 1    9    1    6 o   30.379   0.1805   43.157  122.700  -0.49  -0.15  -2.62  -0.23 
1 1 1    9    1    7 o   51.668   2.0997   39.859 -40.9000  -3.42 -32.68  11.21  -2.71 
1 1 1    9    1    8 o   86.889   0.5195   77.879 -63.8000  -5.60  -4.65  -2.78  -6.56 
1 1 1    9    1    9 o   22.506   1.8041   12.563 -110.8000 -17.05   3.40  -3.24   1.40 
1 1 1    9    1   10 o   53.565   0.5570   45.724   97.400  -8.56   1.88  -8.94   2.90 
1 1 1    9    1   11 o   30.682   1.3320   22.736  -9.7000   8.02  -5.81  -1.10   2.88 
1 1 1    9    1   12 o   56.025   0.7421   57.711   68.300   1.24   1.42   0.22  -0.59 
1 1 1    9    1   13 o   71.848   0.5113   72.953  171.100   0.14   0.24  -0.14  -0.17 
1 1 1    9    1   14 o   45.863   0.4258   49.292 -138.6000  -9.67  -1.53  -3.79  -1.00 
1 1 1    9    1   15 o   36.209   0.8933   19.742  -8.8000  11.53   8.50  -1.94  -7.28 
1 1 1    9    1   16 o   40.130   0.8908   44.738  140.800  -0.18   6.69   3.38  -0.15 
1 1 1    9    1   17 o   43.148   0.2485   28.730 -157.3000  -0.09  -0.09   0.24   0.31 
1 1 1    9    1   18 f   38.430   2.1037   37.172 -19.3000  20.99 -19.51  -0.22   8.35 
1 1 1    9    1   19 o   24.411   0.1938   30.612  119.100  -0.42  -0.94   0.71  -0.52 
1 1 1    9    1   20 o   25.161   0.4159   25.028 -159.4000  -4.23   1.19  -1.61   1.16 
1 1 1    9    1   21 o   35.503   0.1997   27.892 -18.6000   1.79   1.24  -1.45  -1.87 
1 1 1    9    1   22 o   21.617   0.1813   23.198  144.400  -0.68  -0.23  -4.74   1.03 
1 1 1    9    1   23 o   31.330   0.6862   29.653   57.400  -0.98   7.48   2.23   0.80 
1 1 1    9    1   24 o   21.643   0.5375   19.824 -54.3000   9.51  -1.08  -6.64   2.30 
1 1 1    9    1   25 o   19.458   0.2477   21.908  178.800   0.03  -3.13   2.53   0.57 
1 1 1    9    1   26 o   8.0884   0.2992   6.3482 -155.2000  -0.63   0.87   0.27   0.50 
1 1 1    9    1   27 f   21.844   0.2582   22.808  153.500  -5.86  -4.60   1.13 -15.41 
1 1 1    9    1   28 f   6.1127   0.4067   5.1173 -123.2000   0.14  -1.01   0.71   0.40 
1 1 1    9    1   29 o   28.500   1.1593   28.358   36.500  -0.14  21.41   8.51   1.15 
1 1 1    9    1   30 o   8.2763   0.3434   5.0425  171.800  -0.03   0.06  -0.04  -0.05 
1 1 1    9    1   31 o   11.951   0.2999   10.228 -163.4000  -0.87  -0.25  -0.23  -0.34 
1 1 1    9    1   32 o   8.5724   0.8798   8.6764   50.100  -3.86   8.20   1.46   2.10 
1 1 1    9    1   33 o   15.496   0.2433   15.920  155.900  -0.74   2.58   4.38  -0.47 
1 1 1    9    1   34 o   9.9242   0.3434   7.5080  107.100  -0.04  -0.31   0.19   0.15 
1 1 1    9    1   35 o   10.219   0.3273   8.3565   8.3000   0.38  -0.17   0.32   0.44 
1 1 1    9    1   36 f   12.939   0.4194   11.238  147.900  -0.02   0.17   0.00  -0.00 
1 1 1    9    2    0 f   6.4653   0.3096   16.769   89.100   0.00   0.02   0.00   0.00 
1 1 1    9    2    1 o  107.291   2.3262   84.929   88.700  27.90  14.05  -6.28  -9.98 
1 1 1    9    2    2 o   26.995   0.1728   18.176   22.500   0.03   0.27   0.06  -0.01 
1 1 1    9    2    3 o  159.074   1.8725  144.334 -78.0000   0.17   0.10   0.00   0.00 
1 1 1    9    2    4 o   29.967   0.8893   40.823 -154.7000  -2.67   3.96   0.81   1.77 
1 1 1    9    2    5 o   84.053   1.6556   73.903   90.300  -2.05   7.52   0.75   0.51 
1 1 1    9    2    6 f   69.615   2.6337   71.850   1.9000  32.03 -18.12  -5.99  10.87 
1 1 1    9    2    7 o   69.675   0.5382   59.066 -85.3000  -1.71  -0.80  -0.31  -0.54 
1 1 1    9    2    8 o  128.557   0.6984  120.399  179.300  -1.70   1.39   0.83   1.43 
1 1 1    9    2    9 o   67.850   1.2730   47.809  179.500  -9.28 -12.12   1.24  -6.61 
1 1 1    9    2   10 o   45.011   0.7697   44.416 -110.5000   0.35  -3.39   1.12   0.34 
1 1 1    9    2   11 o   38.939   3.4812   34.170   15.600  24.77  24.30  -0.22  -4.98 
1 1 1    9    2   12 o   29.380   0.2330   22.202   48.300   0.20   0.48   0.05  -0.07 
1 1 1    9    2   13 o   25.506   0.3029   37.846  172.200  -0.84  -0.99   0.75  -1.72 
1 1 1    9    2   14 o   42.134   2.0220   37.962 -99.9000 -30.95 -46.33   4.90 -12.40 
1 1 1    9    2   15 o   47.292   1.2465   60.422 -48.1000  23.96  10.38  -8.00  -9.23 
1 1 1    9    2   16 o   41.742   1.0429   54.164 -70.5000  -4.32  -6.25   1.02  -2.19 
1 1 1    9    2   17 o   28.494   1.0604   27.007 -32.0000  -7.62  -8.47   0.72  -4.65 
1 1 1    9    2   18 o   24.241   0.2572   18.248   57.900   0.32  -1.33   1.26   1.20 
1 1 1    9    2   19 o   48.332   0.5777   41.296 -142.6000  -0.44 -10.23   7.45   0.29 
1 1 1    9    2   20 o   40.695   0.2188   37.968  172.100   0.74   2.99  11.75  -0.67 
1 1 1    9    2   21 o   30.966   0.2293   36.610   9.1000   0.82   0.66  -0.10  -0.25 
1 1 1    9    2   22 o   45.108   0.4420   52.857 -129.9000   4.30  -5.80   0.50   5.39 
1 1 1    9    2   23 o   26.801   0.2487   24.724  149.000  -0.24   1.96   1.07   0.59 
1 1 1    9    2   24 f   53.072   0.4727   51.451   44.100   0.47   1.78   0.33  -0.44 
1 1 1    9    2   25 o   4.6528   0.7753   10.692   40.100   2.36   4.66   1.32  -1.96 
1 1 1    9    2   26 o   14.702   0.2121   23.128 -74.4000   0.20  -0.35   0.75  -3.94 
1 1 1    9    2   27 o   15.155   0.7829   18.523 -73.4000  11.47  -4.82  -4.78   4.11 
1 1 1    9    2   28 o   14.236   0.2206   16.880  162.400   0.09  -1.43   2.94  -1.50 
1 1 1    9    2   29 o   26.890   0.9283   27.153   86.800 -13.77  12.28  -2.36   9.06 
1 1 1    9    2   30 o   11.447   0.2673   12.324  134.600  -0.59   0.13  -0.28  -2.20 
1 1 1    9    2   31 f   6.5583   0.4734   2.0172 -14.6000  -4.46  -1.60  -2.23  -1.38 
1 1 1    9    2   32 o   21.592   0.2064   11.658   29.600  -1.56   2.09   1.57   1.47 
1 1 1    9    2   33 o   12.978   0.4205   18.899  -3.4000   1.85   3.34   0.46  -1.32 
1 1 1    9    2   34 o   13.420   0.2566   8.0741 -42.6000  -0.64  -3.73   2.82  -2.25 
1 1 1    9    2   35 o   12.326   0.3167   11.737   42.300  -0.05   1.96   0.84   0.43 
1 1 1    9    2   36 o   8.3400   0.4394   4.6256  154.900  -0.11  -0.07   0.01   0.08 
1 1 1    9    3    0 o   5.4406   0.3288   16.465 -91.4000  -0.00  -0.00   0.00   0.00 
1 1 1    9    3    1 o  106.222   0.4469  104.722   71.100  -2.28   0.16  -3.19   3.30 
1 1 1    9    3    2 o   48.868   0.2244   54.224   68.400   0.08  -0.41   0.18   0.02 
1 1 1    9    3    3 o  143.080   1.0437  150.263 -76.3000   0.43  -0.91   0.57  -0.28 
1 1 1    9    3    4 o   34.863   1.2620   13.528 -117.0000  -9.51   3.29  -1.93   1.43 
1 1 1    9    3    5 o  100.806   1.8011   83.547   49.800   4.39   9.61   2.11  -3.11 
1 1 1    9    3    6 o   52.074   0.8666   31.453   75.400   2.82  -1.80  -0.28   0.51 
1 1 1    9    3    7 o  112.523   0.5139   86.690 -103.9000  -1.29  -0.86  -0.02  -0.51 
1 1 1    9    3    8 f   96.420   0.9290   94.975 -37.4000   4.75   1.41  -1.20  -1.16 
1 1 1    9    3    9 o   15.153   0.9357   20.646  -2.7000  10.51  -8.07  -2.14   7.42 
1 1 1    9    3   10 o   69.705   0.3596   81.557  114.900   1.71   1.22  -1.50  -1.85 
1 1 1    9    3   11 o   48.430   0.4419   55.952 -24.1000  -1.10  -6.45   4.25  -2.28 
1 1 1    9    3   12 o   57.582   1.1619   54.078  -1.6000   5.93  -3.27  -0.75   1.53 
1 1 1    9    3   13 o   66.608   2.5051   57.036 -174.7000 -42.37 -11.29 -10.32  -6.45 
1 1 1    9    3   14 o   41.035   1.5836   39.500 -135.5000 -15.49 -29.38   4.18  -6.37 
1 1 1    9    3   15 o   59.675   1.9793   64.084 -66.7000  36.71  -7.60 -11.24   4.39 
1 1 1    9    3   16 o   26.636   2.3461   50.724 -100.9000  11.58 -35.17   7.65   5.88 
1 1 1    9    3   17 o   61.763   0.2959   60.121 -74.4000   0.16  -0.81   0.38  -0.09 
1 1 1    9    3   18 f   51.952   2.3274   40.475 -16.3000  19.75 -38.29  11.19  13.79 
1 1 1    9    3   19 o   33.429   0.3526   36.699  100.600   0.72  -0.21  -0.28   0.31 
1 1 1    9    3   20 o   51.543   0.4372   66.438  178.600  -2.12   5.32   5.66   3.33 
1 1 1    9    3   21 o   44.344   0.3291   35.772 -84.2000  -0.78  -0.38  -0.04  -0.84 
1 1 1    9    3   22 o   29.582   0.3142   27.496 -109.0000   3.31  -3.72  -0.94   8.50 
1 1 1    9    3   23 o   25.062   0.6632   23.793   56.600   4.17   4.78   0.46  -1.93 
1 1 1    9    3   24 o   55.581   0.2753   52.692   48.500   1.75   0.07   3.09   7.02 
1 1 1    9    3   25 o   14.246   1.6764   9.4909 -79.0000 -14.91 -44.36  11.01  -8.75 
1 1 1    9    3   26 o   13.461   0.2189   15.747  144.800   0.12   0.10   0.04  -0.08 
1 1 1    9    3   27 o   12.267   1.9948   6.3874   33.100  36.08  27.94  -2.70  -9.54 
1 1 1    9    3   28 o   23.430   0.9019   23.015 -91.6000   6.30  -7.26   0.02   3.00 
1 1 1    9    3   29 o   16.140   0.7893   23.052   86.000  11.10   8.96  -0.71  -5.57 
1 1 1    9    3   30 o   7.0730   0.7883   5.5024 -25.1000   3.65  -1.57  -0.81   0.68 
1 1 1    9    3   31 o   13.508   0.4578   6.7309 -54.5000   1.86  -3.69   0.68   0.68 
1 1 1    9    3   32 o   21.842   0.8490   23.445   80.900  -3.27  10.98   2.49   2.25 
1 1 1    9    3   33 o   11.591   0.3838   9.6737   66.800  -1.45   3.04   1.52   1.07 
1 1 1    9    3   34 o   9.7386   1.0630   8.2310  101.400  -1.26  14.08   4.50   0.40 
1 1 1    9    3   35 o   15.918   0.2635   14.838   42.600   1.25  -0.28   0.53   2.37 
1 1 1    9    3   36 o   4.4375   1.0740   4.2360 -177.3000   1.42   0.45  -0.14  -0.16 
1 1 1    9    4    0 o   50.867   0.3524   40.853 -89.7000   0.00   0.28   0.00   0.00 
1 1 1    9    4    1 o   90.932   0.6361   82.086   81.400   8.88   2.03  -3.54  -1.21 
1 1 1    9    4    2 o   67.405   0.5591   67.262   84.700   4.65   0.54  -1.46  -0.50 
1 1 1    9    4    3 o  109.479   1.4438  103.141 -83.8000  -2.61  -9.98   2.43  -1.02 
1 1 1    9    4    4 o   66.959   0.5714   61.033 -108.4000  -5.46   0.55 -10.23   4.78 
1 1 1    9    4    5 o   70.838   0.3068   50.780  110.100  -0.60   0.22  -0.15   0.28 
1 1 1    9    4    6 o   68.186   1.1277   57.786   55.300  15.73  -6.81  -7.62   9.55 
1 1 1    9    4    7 o   36.185   1.1632   26.042 -131.7000  -3.75  -1.77  -0.33  -0.43 
1 1 1    9    4    8 o   94.624   1.4519   89.344 -127.0000 -10.20  -5.13  -2.43  -2.57 
1 1 1    9    4    9 o   43.829   1.9972   49.847   66.200  -3.86  19.22   3.85   1.74 
1 1 1    9    4   10 o   7.0930   0.2895   7.7727   57.300   0.09  -0.23   0.16   0.20 
1 1 1    9    4   11 f   33.760   0.3014   45.680  117.300   3.75   3.45  -3.85 -12.28 
1 1 1    9    4   12 o   33.401   1.9125   27.296   3.9000  17.41  -6.95  -2.91   2.96 
1 1 1    9    4   13 o   31.397   0.8847   34.328   87.100  23.63   3.10 -19.04  -5.83 
1 1 1    9    4   14 o   20.843   1.8984   36.288   76.700   4.20  28.95   4.90  -1.40 
1 1 1    9    4   15 o   99.923   2.1351   93.237 -11.6000  16.97 -22.16   2.84   7.37 
1 1 1    9    4   16 o   71.076   0.9204   66.388 -110.0000  -0.97  -2.89   0.66  -0.33 
1 1 1    9    4   17 o   32.468   0.9983   27.059   53.700   9.95   0.68  -4.92  -0.24 
1 1 1    9    4   18 o   38.284   0.3691   38.062   84.400  -1.31   0.61  -0.25   0.53 
1 1 1    9    4   19 f   44.383   0.9731   38.797 -174.3000 -11.34   0.39  -3.83   0.55 
1 1 1    9    4   20 o   66.434   0.6060   70.548  154.000   0.33   8.74   3.31   0.39 
1 1 1    9    4   21 o   55.543   0.2680   57.148 -22.2000   0.66  -2.73   2.03   0.20 
1 1 1    9    4   22 o   6.9221   0.7834   7.0867  125.400   0.44   1.11   0.04  -0.04 
1 1 1    9    4   23 o   34.665   0.2808   34.168   51.800  -0.48   2.11   2.01   3.38 
1 1 1    9    4   24 o   20.717   1.6917   31.851   45.800  27.55  31.66   1.05  -9.63 
1 1 1    9    4   25 o   3.9724   0.9733   2.6852 -130.7000   2.11   3.96   0.77  -1.24 
1 1 1    9    4   26 o   8.8568   0.2950   15.679 -109.1000   2.55   0.78  -1.72  -1.58 
1 1 1    9    4   27 o   11.337   0.4307   3.4892  167.300 -12.85  -0.15 -14.35   1.15 
1 1 1    9    4   28 o   25.308   0.3014   23.542  170.100  -0.19   1.12   0.31   0.34 
1 1 1    9    4   29 o   14.592   1.1819   21.585   80.600 -25.09  11.39  -6.96   7.13 
1 1 1    9    4   30 o   4.6351   1.0097   9.1525 -19.3000  -1.33   3.21   0.61   0.51 
1 1 1    9    4   31 o   9.8698   0.3095   5.7963 -130.4000   0.24  -0.38  -1.35   0.63 
1 1 1    9    4   32 o   11.824   0.2831   4.6925 -33.0000   0.29  -0.31  -0.26   0.25 
1 1 1    9    4   33 o   5.5526   1.3474   5.4040 -104.7000  -0.29  -7.26   1.78  -0.00 
1 1 1    9    4   34 o   11.321   0.3258   7.2255 -17.9000   0.64  -0.34  -0.03   0.27 
1 1 1    9    4   35 o   4.8448   0.6416   4.9403 -107.9000  -0.42   0.15  -0.05   0.10 
1 1 1    9    4   36 o   20.721   0.2356   19.095 -166.3000   0.05   0.38   0.01   0.11 
1 1 1    9    5    0 o   66.000   0.4096   72.416 -90.0000   0.00   0.01   0.00   0.00 
1 1 1    9    5    1 o   93.132   1.1208   77.911   73.900  -9.17   8.52   0.46   7.78 
1 1 1    9    5    2 o   60.634   3.0260   58.645   76.300  -7.00  27.97   3.52   1.99 
1 1 1    9    5    3 o  103.008   0.4404   89.404 -69.3000   0.40  -0.99   1.12   0.09 
1 1 1    9    5    4 o   38.202   2.8542   25.391 -150.5000 -19.16 -40.00   5.94  -7.18 
1 1 1    9    5    5 f  104.027   1.8912   81.277   47.700  20.83  -6.09  -5.92   4.54 
1 1 1    9    5    6 o   67.799   1.4401   86.394   47.500  -3.81   8.95   1.49   1.78 
1 1 1    9    5    7 o   73.469   0.5694   51.713 -116.9000  -1.80  -0.78  -0.66  -1.40 
1 1 1    9    5    8 o   82.318   1.4457   63.283 -96.2000   0.55  -6.44   1.59   0.46 
1 1 1    9    5    9 o   29.363   0.6117   34.456 -13.2000  -4.71   6.14   1.76   5.34 
1 1 1    9    5   10 o   22.367   0.5147   28.346 -82.1000   0.70  -1.23   0.16   0.34 
1 1 1    9    5   11 o   19.691   0.9319   22.359   17.200   5.66 -13.49   8.20   7.69 
1 1 1    9    5   12 o   43.983   0.5269   41.400 -102.2000  -1.17  -3.65   0.99  -0.59 
1 1 1    9    5   13 o   78.300   1.2437   75.170  118.400 -21.97  -7.49 -13.24 -12.78 
1 1 1    9    5   14 o   38.094   0.8780   31.933 -86.1000 -10.72 -11.49   0.18  -4.50 
1 1 1    9    5   15 o   65.322   1.5818   64.896 -81.6000   9.33  -9.44  -0.70   6.51 
1 1 1    9    5   16 o   52.314   2.9933   42.498 -102.2000  14.49 -41.91   7.96   6.72 
1 1 1    9    5   17 o   18.481   1.2137   23.409 -26.8000   2.04 -13.01   4.61   1.29 
1 1 1    9    5   18 f   15.733   2.4333   7.1488 -19.2000  23.46 -69.92  16.05  11.93 
1 1 1    9    5   19 o   30.161   1.2536   30.802  106.300 -16.90  20.36   1.36   8.73 
1 1 1    9    5   20 o   29.175   1.1818   43.577  131.400 -10.86  12.44   0.99   5.29 
1 1 1    9    5   21 o   25.486   0.6117   26.068 -165.4000  -8.81   8.46   0.17   6.19 
1 1 1    9    5   22 f   50.394   1.4711   41.682 -107.8000  20.58 -33.89   4.16   9.32 
1 1 1    9    5   23 f   29.381   0.5845   28.191 -106.6000   5.51  -8.80   2.05   6.16 
1 1 1    9    5   24 o   44.852   1.5730   32.486   46.400   0.07  25.42   9.06   1.01 
1 1 1    9    5   25 o   34.408   2.0537   22.434 -96.2000  -2.61 -58.69  12.92  -1.88 
1 1 1    9    5   26 o   14.133   0.2874   11.920   72.900  -0.86   2.18   0.89   0.57 
1 1 1    9    5   27 f   14.910   0.7980   19.750 -83.0000  -3.80 -16.84   6.85  -2.71 
1 1 1    9    5   28 o   11.500   0.6411   15.639 -63.1000  -2.61  -3.55   0.44  -1.05 
1 1 1    9    5   29 o   10.221   0.8034   9.8409  175.100 -11.70   0.41  -3.44   0.45 
1 1 1    9    5   30 o   7.3101   0.3774   8.6333   8.6000   0.10  -0.81   0.52  -0.11 
1 1 1    9    5   31 o   17.980   0.2209   9.4656   14.300   0.47   2.34   2.17   0.27 
1 1 1    9    5   32 o   12.855   0.7100   11.169   96.200  -4.07   8.78   1.53   2.28 
1 1 1    9    5   33 o   6.7519   0.4637   2.5861   12.500   0.94  -1.35   0.03   1.19 
1 1 1    9    5   34 o   11.145   0.7640   13.436  130.400   1.30   7.64   2.23  -1.21 
1 1 1    9    5   35 o   19.722   0.2530   14.548   26.400   0.04   1.03   0.27   0.92 
1 1 1    9    5   36 o   5.6070   0.7882   7.5988 -115.4000   0.11  -2.07   0.52  -0.09 
1 1 1    9    6    0 o   26.956   0.2171   21.109 -91.1000   0.00   0.12   0.00   0.00 
1 1 1    9    6    1 o   72.946   0.4415   68.315   97.600  -5.55   0.88 -10.74   0.65 
1 1 1    9    6    2 o   36.811   0.1911   13.210 -134.4000  -0.68  -0.23  -5.70   0.16 
1 1 1    9    6    3 o   62.365   0.4191   50.879 -131.8000   0.28  -0.97   0.18   0.18 
1 1 1    9    6    4 o   33.472   1.0122   47.626 -92.7000 -16.12   0.08  -8.06   0.36 
1 1 1    9    6    5 o   26.543   0.5035   30.011   73.000  -1.53   3.61   1.21   1.12 
1 1 1    9    6    6 o   40.534   0.2035   41.583   92.000   3.99  -0.03 -19.30   5.93 
1 1 1    9    6    7 o   7.4726   0.7697   12.620   59.400  -5.51   0.88  -1.53   0.52 
1 1 1    9    6    8 o   98.187   0.4904   96.572 -74.1000  -0.67  -0.64  -3.16   0.06 
1 1 1    9    6    9 o   34.516   0.7667   34.134   10.200   0.19   4.07   1.99   0.03 
1 1 1    9    6   10 o   39.485   0.2341   32.500  127.800  -1.79   0.03  -2.22   0.82 
1 1 1    9    6   11 o   67.616   0.2943   75.728  115.900   1.85   3.10   0.06  -6.80 
1 1 1    9    6   12 o   88.890   1.0376   71.922   20.400  10.70  -5.56  -1.31   2.28 
1 1 1    9    6   13 o   55.506   3.9231   34.627  -6.2000 146.07  22.12 -36.08 -11.79 
1 1 1    9    6   14 o   36.804   0.6666   44.207 -78.9000  -2.59   0.72  -0.34   0.24 
1 1 1    9    6   15 o   30.418   0.9938   29.591  -2.5000  14.94  -6.49  -5.38   6.36 
1 1 1    9    6   16 o   42.387   2.4775   35.150 -101.6000   4.85  -4.44  -0.06   0.40 
1 1 1    9    6   17 o   31.864   1.1739   35.524 -114.3000  -4.63  -4.17  -0.04  -1.26 
1 1 1    9    6   18 o   25.530   0.6454   30.006  114.700  -9.01   2.82  -4.65   2.83 
1 1 1    9    6   19 o   23.478   2.2157   27.585  178.500 -54.19  12.95 -11.39   5.97 
1 1 1    9    6   20 f   50.134   0.5242   46.987  176.600  -0.65  -1.99   0.21  -0.11 
1 1 1    9    6   21 o   46.229   0.7543   39.150 -62.6000  -5.95 -10.06   1.32  -3.15 
1 1 1    9    6   22 o   7.2394   0.4724   16.262 -119.4000   0.39  -1.47   0.26   0.17 
1 1 1    9    6   23 o   34.993   0.8330   35.169   54.000  -3.58   7.34   1.51   2.59 
1 1 1    9    6   24 o   7.7174   0.3227   13.346  -9.3000   2.11   0.73  -0.93  -0.60 
1 1 1    9    6   25 o   18.000   1.1253   17.753 -116.3000  -6.74 -12.12   2.34  -3.25 
1 1 1    9    6   26 o   21.916   0.4828   21.092  156.600  -7.72  -0.47  -2.35   0.00 
1 1 1    9    6   27 f   13.585   0.2407   22.474  144.100   0.21  -0.38  -2.57  -2.16 
1 1 1    9    6   28 o   34.693   0.9390   37.564  139.900 -26.31  -3.20 -13.92  -6.09 
1 1 1    9    6   29 o   2.8061   1.3024   4.2223   25.700  -3.22   1.59  -0.42   0.46 
1 1 1    9    6   30 o   10.440   0.2885   17.469 -46.6000   1.55  -0.20  -0.84  -0.05 
1 1 1    9    6   31 f   6.0204   0.4697   11.429  101.600  -0.65  -0.17  -0.33  -0.05 
1 1 1    9    6   32 o   3.6681   1.6526   5.5210   43.600   1.50  -0.94  -0.09   0.25 
1 1 1    9    6   33 o   18.009   0.5716   18.891 -122.6000  -2.40  -3.23   0.31  -0.61 
1 1 1    9    6   34 o   11.709   0.3229   7.1780  -2.3000   1.11   1.77   0.04  -1.00 
1 1 1    9    6   35 o   7.5262   0.4814   6.2047 -155.5000   0.19  -0.23   0.11   0.05 
1 1 1    9    6   36 o   22.580   0.4146   22.404 -139.3000  -2.65  -3.10  -0.76  -1.46 
1 1 1    9    7    0 o   57.187   0.3606   74.620 -89.7000   0.00   0.09   0.00   0.00 
1 1 1    9    7    1 o   61.971   1.4525   57.380   24.900  11.33  11.36   0.21  -3.99 
1 1 1    9    7    2 o   33.996   2.2682   44.749   65.500  22.52  28.70   1.94  -7.43 
1 1 1    9    7    3 o   59.529   0.3384   73.430 -99.8000   3.37  -1.38  -1.94   1.36 
1 1 1    9    7    4 o   64.475   1.3882   48.559  179.400  -6.73  29.69  23.74   9.35 
1 1 1    9    7    5 o   53.399   0.8059   30.993   58.500  -2.36   5.56   2.48   3.25 
1 1 1    9    7    6 o   74.325   0.6122   75.695   0.7000   2.13  12.31  20.96  -3.26 
1 1 1    9    7    7 o   19.795   0.4038   32.375  174.900   0.08  -0.03  -0.00   0.00 
1 1 1    9    7    8 f   18.447   1.3228   22.633 -169.1000   0.53 -13.59   5.06   0.53 
1 1 1    9    7    9 o   21.554   1.9279   31.485  159.000 -15.96  14.69  -0.31   4.97 
1 1 1    9    7   10 o   29.434   0.2631   16.862 -141.2000   0.18   0.87   0.48  -0.10 
1 1 1    9    7   11 o   48.574   1.2321   27.742 -56.7000  -1.98 -19.60   6.16  -1.51 
1 1 1    9    7   12 o   49.919   0.3186   52.434 -175.3000  -0.24  -0.12  -0.01  -0.01 
1 1 1    9    7   13 o   95.945   0.7722  101.950   97.700  -2.77   2.01  -1.07   1.28 
1 1 1    9    7   14 o   19.277   0.6078   23.554 -32.6000   4.44  -3.26  -0.53   1.99 
1 1 1    9    7   15 o   27.220   1.5050   36.790 -105.3000  10.29 -12.56   1.04   7.38 
1 1 1    9    7   16 o   30.950   2.9421   40.922 -114.1000   2.02 -40.74   9.48   1.22 
1 1 1    9    7   17 o   3.5126   0.8613   6.2561   27.700   2.22   0.87  -0.43  -0.41 
1 1 1    9    7   18 o   22.681   0.2497   28.224 -145.2000  -1.39   2.98   2.21   3.48 
1 1 1    9    7   19 o   28.549   1.2789   15.740  154.400 -28.63   0.86 -10.04   0.20 
1 1 1    9    7   20 o   38.721   0.3438   34.125   61.600   0.25   2.60   0.49  -0.03 
1 1 1    9    7   21 o   52.246   0.2596   50.007  166.600  -0.67   1.42   2.88  -0.02 
1 1 1    9    7   22 o   5.6916   0.3918   14.427 -111.2000  -0.93  -1.28   2.03  -3.75 
1 1 1    9    7   23 o   13.430   0.3399   7.4934 -161.1000   1.04  -3.70   2.90   2.40 
1 1 1    9    7   24 o   12.964   0.2336   10.651 -13.7000   2.24  -5.33   5.52   4.32 
1 1 1    9    7   25 o   28.739   0.2007   22.842 -131.3000   3.22  -2.50   1.14   5.60 
1 1 1    9    7   26 o   20.723   0.6820   23.932  109.200  -6.61  10.91   1.55   2.47 
1 1 1    9    7   27 o   4.6535   1.7543   8.6818 -86.7000  -2.19  -3.42   0.30  -0.59 
1 1 1    9    7   28 o   7.9894   0.3490   8.4089 -178.6000  -1.41  -0.84  -0.26  -0.87 
1 1 1    9    7   29 o   21.270   0.2029   18.313 -130.8000  -0.25  -0.85   0.49   0.23 
1 1 1    9    7   30 o   8.4887   0.5406   8.4652 -24.0000  -0.57  -3.29   1.02  -0.55 
1 1 1    9    7   31 o   9.9087   0.3306   11.516  131.400  -0.12   0.12  -0.14   0.03 
1 1 1    9    7   32 o   13.119   0.2669   11.678 -10.6000   0.42   0.12  -0.05  -0.13 
1 1 1    9    7   33 o   6.8589   0.4654   4.9393   47.500  -0.18  -0.32   0.11  -0.06 
1 1 1    9    7   34 o   1.8533   1.0569   4.0279  -2.3000  -0.01  -0.24   0.06   0.02 
1 1 1    9    7   35 o   21.805   0.5716   22.322   6.8000   3.29  -3.22   0.33   0.84 
1 1 1    9    8    0 o   31.930   0.2363   1.4439  100.000   0.00   0.11   0.00   0.00 
1 1 1    9    8    1 o   47.868   0.2345   57.259   49.200   0.06   0.45   0.35   0.05 
1 1 1    9    8    2 o   31.339   0.7018   41.276  142.500  -3.44  -1.06  -0.97  -0.58 
1 1 1    9    8    3 o   63.818   1.2847   66.567 -107.7000  -8.60  -6.90  -1.31  -4.21 
1 1 1    9    8    4 o   16.183   1.0939   26.002  122.000  -4.07   6.70   0.73   1.35 
1 1 1    9    8    5 o   36.594   0.4082   38.871   85.800   0.48   0.52  -0.00  -0.12 
1 1 1    9    8    6 f   31.180   2.0263   41.398 -146.9000 -24.78  -6.40  -6.21  -3.69 
1 1 1    9    8    7 f   10.752   0.9508   15.631 -76.8000   6.90  -0.03  -2.23  -0.03 
1 1 1    9    8    8 o   44.655   1.6393   23.251 -65.1000  14.21 -12.06  -1.53   6.72 
1 1 1    9    8    9 o   48.086   1.0785   44.115 -18.3000   4.98 -10.26   2.59   2.80 
1 1 1    9    8   10 o   44.749   0.3099   48.986  100.700  -0.68   0.86   0.06   0.17 
1 1 1    9    8   11 f   26.820   1.0103   7.0082 -120.5000  -2.32 -25.16  10.51  -1.73 
1 1 1    9    8   12 f   65.849   1.8355   66.701   19.200  18.29   7.71  -5.46  -4.71 
1 1 1    9    8   13 o   76.619   2.4285   62.611  -0.3000  25.46  -2.66  -5.42   0.75 
1 1 1    9    8   14 o   69.431   0.3253   79.372 -82.6000  -1.38   0.10  -1.50   3.38 
1 1 1    9    8   15 o   12.121   1.4125   12.463   84.500  -4.13   4.19  -0.01   1.04 
1 1 1    9    8   16 o   1.1681   0.9315   18.327 -94.1000   1.40  -0.13  -0.17   0.03 
1 1 1    9    8   17 o   43.398   0.7204   43.152 -102.7000   2.61  -3.92   0.79   3.55 
1 1 1    9    8   18 o   18.784   1.3567   20.779  177.000 -27.23   5.63  -8.61   3.46 
1 1 1    9    8   19 o   31.628   1.0122   29.121  129.700  -1.31  11.91   3.49   0.55 
1 1 1    9    8   20 o   9.3586   0.9524   17.830 -22.3000  14.58  -2.77  -3.23   1.21 
1 1 1    9    8   21 o   12.921   0.6639   10.395  150.100  -6.50   1.88  -1.80   1.01 
1 1 1    9    8   22 o   14.431   0.2094   12.705 -33.6000  -0.04  -0.22   0.57   0.85 
1 1 1    9    8   23 o   30.220   0.5125   31.797   65.100  -2.51   3.09  -0.09   2.24 
1 1 1    9    8   24 o   11.879   1.4165   22.741 -61.6000   9.85 -33.40   8.96   5.40 
1 1 1    9    8   25 o   40.577   1.7385   30.099 -99.3000  15.29 -27.84   4.48   9.53 
1 1 1    9    8   26 o   21.802   0.7474   22.199 -114.8000 -10.52  -2.96  -2.11  -1.01 
1 1 1    9    8   27 o   24.500   0.6438   32.002  127.300  -1.54   2.02  -0.04   0.90 
1 1 1    9    8   28 o   17.185   0.5047   25.401  115.600  -7.51  -1.49  -4.22  -2.67 
1 1 1    9    8   29 o   14.985   0.2327   13.281 -101.9000   0.56  -0.29   1.28   0.46 
1 1 1    9    8   30 o   14.445   1.2374   13.965 -36.4000  25.57  12.77  -5.19  -8.14 
1 1 1    9    8   31 o   9.1877   0.3367   16.784   66.200   0.64  -0.58  -0.19   0.35 
1 1 1    9    8   32 o   18.792   0.4335   16.103  119.400  -1.56   2.82   0.21   0.77 
1 1 1    9    8   33 o   19.368   0.6270   14.397 -165.0000  -6.25  -1.10  -1.55  -1.12 
1 1 1    9    8   34 f   0.0000   2.2455  ?   ?   -0.25  -0.01  -0.20  -0.19 
1 1 1    9    8   35 o   10.137   0.4040   8.7214  171.900   0.40  -0.54   0.18   0.09 
1 1 1    9    9    0 o   85.265   0.5100  106.364   89.900   0.00   0.64   0.00   0.00 
1 1 1    9    9    1 o   30.634   1.1788   33.037   42.200   1.45  12.19   4.06  -0.78 
1 1 1    9    9    2 o   80.705   0.3442   81.314 -52.3000   0.23  -1.21  -1.66  -6.45 
1 1 1    9    9    3 o   30.065   1.5936   34.022  167.700  -2.52  24.20  10.56   1.81 
1 1 1    9    9    4 o   82.939   1.2611   79.753 -179.0000  -4.98   9.93   6.00   5.12 
1 1 1    9    9    5 o   22.614   0.7182   25.776 -113.5000   1.65  -2.80   0.50   0.79 
1 1 1    9    9    6 o   65.582   1.5292   37.188 -25.3000   8.32 -29.23  19.55   9.51 
1 1 1    9    9    7 o   18.275   0.8342   8.5402 -177.6000  -0.96   5.32   1.86   0.79 
1 1 1    9    9    8 o   36.715   1.0378   39.389   24.300   2.59  28.31  15.23  -3.32 
1 1 1    9    9    9 o   26.661   0.5005   34.236 -146.9000  -9.56   5.62  -3.99   7.97 
1 1 1    9    9   10 o   61.216   0.9937   56.431  146.200  -5.65   5.25   0.01   1.96 
1 1 1    9    9   11 f   18.099   0.8459   13.485   97.700  -3.95   4.71   0.44   2.05 
1 1 1    9    9   12 o   38.515   0.6009   35.965 -100.5000  -1.69  -4.39   1.34  -1.50 
1 1 1    9    9   13 o   62.720   1.0965   60.258   55.200  -7.64   9.49   0.56   7.04 
1 1 1    9    9   14 o   35.913   0.2234   45.057   25.800   3.74  -3.44   2.09   9.84 
1 1 1    9    9   15 o   26.276   0.8844   21.998   79.900  -4.76   6.93   1.06   2.30 
1 1 1    9    9   16 o   33.575   1.6795   37.471 -67.7000   8.50 -24.84   6.62   5.53 
1 1 1    9    9   17 f   26.663   0.1926   39.629 -73.1000  -2.58  -0.58  -2.99  -0.83 
1 1 1    9    9   18 o   16.228   0.1962   14.785  148.700   0.35  -0.60   4.10   1.81 
1 1 1    9    9   19 o   15.733   0.8421   3.9290   50.100  13.31   7.61  -2.22  -3.53 
1 1 1    9    9   20 o   11.685   0.8773   7.1236 -17.7000   5.03 -17.11   5.44   3.32 
1 1 1    9    9   21 o   23.427   0.2788   24.801  176.200   1.28   2.01   0.56  -0.79 
1 1 1    9    9   22 o   31.536   0.2149   24.534  -4.5000   0.88   6.23   6.18  -4.00 
1 1 1    9    9   23 o   9.4238   0.4480   9.8969  151.800  -5.89  -2.89  -2.05  -2.28 
1 1 1    9    9   24 o   4.4032   0.5261   9.8841 -60.3000  -0.08  -0.94   0.64  -0.23 
1 1 1    9    9   25 o   18.818   0.7115   21.847 -109.2000  -3.06  -3.90   0.45  -1.18 
1 1 1    9    9   26 o   15.966   0.2271   16.991   61.300   0.39  -0.14  -0.40  -0.09 
1 1 1    9    9   27 o   16.160   0.2365   18.961   60.000  -0.90   1.11  -1.04   2.29 
1 1 1    9    9   28 o   22.927   0.2020   20.822  147.900   0.56   0.29  -0.38   0.21 
1 1 1    9    9   29 o   27.027   0.3910   25.108 -136.4000  -1.78  -0.95  -0.30  -0.20 
1 1 1    9    9   30 o   18.855   0.2261   13.032 -12.7000   0.39   0.03  -0.05  -0.25 
1 1 1    9    9   31 o   19.356   0.3860   20.178 -162.5000   1.68  -3.03   0.22   0.79 
1 1 1    9    9   32 o   8.9748   0.3767   10.407  -9.5000  -0.53   1.16   1.35   0.38 
1 1 1    9    9   33 o   2.2314   0.9929   3.4832  107.100   0.02   0.10   0.02   0.01 
1 1 1    9    9   34 o   1.2340   1.1727   4.4392 -51.4000   0.22  -0.67   0.17   0.27 
1 1 1    9    9   35 o   21.734   0.5336   18.140   28.000   5.11  -1.89  -0.60   1.38 
1 1 1    9   10    0 o   64.169   0.4019   44.220 -89.7000   0.00   0.16   0.00   0.00 
1 1 1    9   10    1 o   23.981   0.2572   41.080 -78.1000  -0.62  -0.25  -1.24  -0.48 
1 1 1    9   10    2 o   15.400   0.2161   17.449  -4.3000   0.11  -0.85   1.47   0.09 
1 1 1    9   10    3 o   38.519   0.5389   35.790 -174.9000  -0.78  -2.07   0.44  -0.30 
1 1 1    9   10    4 o   25.961   0.9332   40.955 -96.2000  -2.36  -2.62   0.08  -0.53 
1 1 1    9   10    5 o   5.2193   1.4099   10.575   27.000  -7.59   0.45  -1.98   0.21 
1 1 1    9   10    6 o   28.551   0.9668   19.861 -35.7000  13.78  -8.81  -2.20   5.11 
1 1 1    9   10    7 o   9.7686   0.2693   18.261 -83.5000   0.77  -0.15  -2.92   0.72 
1 1 1    9   10    8 o   26.935   1.9266   41.196 -18.6000  50.63   6.09 -11.11  -2.84 
1 1 1    9   10    9 o   67.568   0.9958   51.721  -1.3000   6.39  -8.86   3.13   6.58 
1 1 1    9   10   10 o   62.073   0.6506   61.588   42.200  -2.28   9.25   3.27   2.30 
1 1 1    9   10   11 o   63.725   0.6762   67.996 -137.9000   3.99  -9.60   3.06   4.08 
1 1 1    9   10   12 f   33.210   0.5084   30.576  111.700   6.68   1.15  -9.02  -1.76 
1 1 1    9   10   13 o   66.439   1.5514   64.033   19.800  12.27  -3.56  -1.74   1.39 
1 1 1    9   10   14 o   19.319   0.7602   20.414 -70.1000   7.80  -0.13  -5.81  -0.26 
1 1 1    9   10   15 o   23.937   0.2349   25.903   81.300   0.17   0.43  -0.17  13.06 
1 1 1    9   10   16 f   43.237   0.8455   29.799   85.500   2.15   3.93   0.88  -1.07 
1 1 1    9   10   17 o   21.410   0.3709   20.170 -77.0000  -8.47   4.10  -3.79   5.65 
1 1 1    9   10   18 o   10.553   1.2707   21.757   46.300  26.64  -2.68  -6.73   1.48 
1 1 1    9   10   19 o   10.619   0.2519   13.871  103.200  -1.11   0.16  -0.88   0.12 
1 1 1    9   10   20 o   14.512   0.8281   8.6310  133.700 -13.86  -1.70  -6.56  -1.27 
1 1 1    9   10   21 o   27.648   0.4715   19.881   14.400   1.72  -2.08   0.32   0.77 
1 1 1    9   10   22 o   30.302   0.9618   23.023 -121.5000   6.39 -17.80   4.75   4.70 
1 1 1    9   10   23 o   15.393   0.2230   10.428 -168.3000   0.08  -0.32   0.50  -0.38 
1 1 1    9   10   24 o   14.307   1.3443   6.4858 -41.8000   8.46 -28.17   4.88   2.98 
1 1 1    9   10   25 o   17.023   2.0527   18.331 -68.0000  41.80 -32.00  -4.00  12.72 
1 1 1    9   10   26 o   23.716   0.2099   21.183 -113.3000  -0.29  -1.28   2.43   2.99 
1 1 1    9   10   27 o   23.917   1.4614   23.612  111.600 -42.91   7.26 -19.64   5.00 
1 1 1    9   10   28 o   16.304   0.6043   6.5461   68.500  -0.80   7.88   1.97   0.07 
1 1 1    9   10   29 o   14.021   0.2541   15.472 -66.1000   0.69  -0.24  -1.08  -0.61 
1 1 1    9   10   30 o   9.4545   0.3344   9.9048 -21.0000   0.97   0.23  -0.53  -1.76 
1 1 1    9   10   31 o   16.383   0.2427   7.8395   53.800   1.59  -1.80  -2.90   3.19 
1 1 1    9   10   32 o   6.9498   0.4646   7.8294 -132.5000   0.10  -0.19  -0.15   0.14 
1 1 1    9   10   33 o   19.404   0.2508   20.493   98.100  -0.56   0.43   0.13  -1.03 
1 1 1    9   10   34 o   12.076   0.3116   11.296 -93.9000  -0.77   0.32  -0.58  -0.33 
1 1 1    9   11    0 o   95.832   0.5623   91.782   90.000   0.00   1.03   0.00   0.00 
1 1 1    9   11    1 o   43.004   0.9967   39.276  112.200  10.40  10.03   0.01  -3.72 
1 1 1    9   11    2 f   46.275   0.4204   62.983 -34.6000  -2.16  -2.64   0.13  -1.43 
1 1 1    9   11    3 o   56.659   2.9113   48.480   79.300  -6.52 102.75  27.96   2.98 
1 1 1    9   11    4 f   46.430   0.4090   61.369 -162.9000  -0.03  -6.62   5.76   0.60 
1 1 1    9   11    5 o  100.810   0.4203   85.681 -109.4000   0.18  -0.02   0.01   0.07 
1 1 1    9   11    6 o   35.781   0.9477   44.961   25.900  18.62 -14.24  -3.24  14.06 
1 1 1    9   11    7 o   52.095   1.8566   53.846   86.700 -23.71  46.06   7.79  11.53 
1 1 1    9   11    8 o   83.929   0.6199   63.277 -12.9000   0.74  -0.09  -0.14   0.84 
1 1 1    9   11    9 f   77.154   0.9261   88.240 -104.9000   1.63  -5.53   0.96   0.86 
1 1 1    9   11   10 o   69.702   1.6719   65.603  104.900  -8.53   7.41  -0.09   3.06 
1 1 1    9   11   11 o   38.916   1.5897   38.817  108.900  -3.05  12.84   3.79   1.54 
1 1 1    9   11   12 o   52.490   0.6097   53.032 -99.1000  -1.59  -1.87  -0.20  -1.22 
1 1 1    9   11   13 o   26.821   2.1585   10.805 -22.7000  23.09 -22.11  -0.10   8.16 
1 1 1    9   11   14 o   75.075   1.3498   66.222   72.100  -5.43  12.84   3.26   4.61 
1 1 1    9   11   15 o   12.029   1.3924   14.315 -22.6000  18.71  -3.08  -4.15   1.34 
1 1 1    9   11   16 o   36.145   0.2082   31.636 -147.3000  -9.65  13.00   9.25  19.89 
1 1 1    9   11   17 f   19.997   0.2041   13.192 -29.3000  -0.80  -5.77   4.36  -1.71 
1 1 1    9   11   18 o   40.850   0.4775   35.588 -56.4000 -10.06 -11.68   0.29  -6.83 
1 1 1    9   11   19 o   6.3988   0.5944   13.374   22.800   2.08   3.36   0.59  -1.35 
1 1 1    9   11   20 o   20.478   0.3225   16.759 -133.2000  -1.17  -2.00   0.44  -1.44 
1 1 1    9   11   21 o   20.038   1.3684   31.725  113.700  -6.17  25.23   4.96   2.84 
1 1 1    9   11   22 o   30.735   0.8222   25.289 -12.3000   1.85  -8.10   1.83   1.27 
1 1 1    9   11   23 o   6.5513   0.4195   6.2152  129.400  -0.15  -0.23  -0.36  -0.66 
1 1 1    9   11   24 o   14.985   0.2221   13.423  149.100  -2.63  -0.49  -2.00  -0.23 
1 1 1    9   11   25 o   17.023   1.3142   18.118 -83.9000   5.52 -21.70   5.76   3.68 
1 1 1    9   11   26 o   10.332   0.5437   12.558 -49.0000  -1.38  -0.46  -0.08  -0.05 
1 1 1    9   11   27 o   19.971   0.8043   17.010   61.600  -3.26   7.94   1.63   2.66 
1 1 1    9   11   28 o   15.472   0.4391   14.796  101.300   2.42   2.54  -0.11  -0.74 
1 1 1    9   11   29 o   24.945   0.8604   26.560 -150.0000  -9.41 -10.71  -0.06  -3.05 
1 1 1    9   11   30 o   9.2515   0.3455   14.636   0.3000   0.14   0.10  -0.02  -0.02 
1 1 1    9   11   31 o   9.5727   0.3641   11.499  166.700  -0.58  -0.34   0.04  -0.36 
1 1 1    9   11   32 o   12.332   0.3190   4.9615  -0.8000   0.06   0.20  -0.09   0.15 
1 1 1    9   11   33 o   8.6539   0.3973   4.6578 -156.5000   0.29  -0.10  -0.08  -0.01 
1 1 1    9   11   34 o   7.4592   0.6259   3.5268 -121.7000  -0.57  -1.49   0.20  -0.09 
1 1 1    9   12    0 o   11.925   0.3778   8.2273   90.200   0.00   0.01   0.00   0.00 
1 1 1    9   12    1 o   85.479   0.7367   87.222 -83.8000  -1.98  -4.24   0.80  -1.46 
1 1 1    9   12    2 f   9.1360   0.7008   23.025 -53.8000   7.54   5.37  -1.26  -3.83 
1 1 1    9   12    3 o   32.311   1.3482   34.124  160.000 -17.30  24.23   3.04   8.28 
1 1 1    9   12    4 o   30.852   0.6044   34.852  162.200   1.00   1.12   0.01  -0.12 
1 1 1    9   12    5 o   24.388   1.5141   24.659 -175.1000 -19.34   1.68  -5.43   0.80 
1 1 1    9   12    6 o   20.931   0.2257   21.925   15.600   1.20  -0.44  -1.14   1.54 
1 1 1    9   12    7 o   15.083   0.9246   13.661 -87.2000   6.13  -2.10  -1.39   1.01 
1 1 1    9   12    8 o   27.009   0.4331   20.291  100.500   3.03  -0.17  -1.35   0.01 
1 1 1    9   12    9 o   43.191   1.0382   33.902 -17.8000   6.56  -4.15  -0.83   2.56 
1 1 1    9   12   10 o   28.495   0.5878   23.694 -34.5000  -0.36  -3.98   2.04  -0.67 
1 1 1    9   12   11 f   24.541   0.8043   26.418  177.400  -3.50   5.32   1.52   2.78 
1 1 1    9   12   12 o   49.307   0.4536   35.158 -13.5000   1.93  -0.19  -0.70   0.33 
1 1 1    9   12   13 o   11.969   0.3159   10.501 -52.4000   1.62  -2.01   0.41   1.44 
1 1 1    9   12   14 o   8.2756   1.3388   6.6301 -118.3000  21.98  -3.38  -7.29   2.20 
1 1 1    9   12   15 o   15.081   0.2208   19.303   92.600   1.53  -0.66  -2.64   5.85 
1 1 1    9   12   16 o   14.320   0.3787   16.904   21.100   3.46  -3.76   0.38   2.59 
1 1 1    9   12   17 o   22.946   1.0226   27.345 -118.5000  35.13 -27.21  -9.03  29.72 
1 1 1    9   12   18 o   5.8712   0.3995   11.148   74.900  -0.31   0.18  -1.93   0.83 
1 1 1    9   12   19 o   17.550   0.2068   22.740   53.500   3.68  -1.08  -2.53   2.33 
1 1 1    9   12   20 o   10.739   0.4180   21.485 -72.2000   2.66  -1.81  -0.90   1.67 
1 1 1    9   12   21 o   10.701   0.4058   15.055   27.600   3.62  -1.31  -0.99   1.01 
1 1 1    9   12   22 o   29.185   0.9024   31.041 -86.2000  -4.27  -5.94   1.49  -2.57 
1 1 1    9   12   23 o   16.931   0.2250   18.287 -151.4000   0.02  -0.67   0.25  -0.10 
1 1 1    9   12   24 o   13.692   1.3827   16.141  103.800  -9.01  18.68   3.13   4.45 
1 1 1    9   12   25 o   19.197   1.2570   19.926  -0.1000  28.00  -4.47 -10.48   2.51 
1 1 1    9   12   26 o   11.742   0.2908   14.117 -151.7000  -0.28  -0.92   1.43   0.82 
1 1 1    9   12   27 o   20.295   1.8185   15.942  149.500 -43.40  11.81 -10.98   5.35 
1 1 1    9   12   28 o   6.9030   0.4431   3.5837  -8.1000  -0.28   0.16   0.91   0.33 
1 1 1    9   12   29 o   6.7056   1.1314   4.2918  138.200  -5.32   0.98  -0.76   0.37 
1 1 1    9   12   30 o   9.9854   0.6908   4.4525   60.600  10.42  -2.16  -5.23   3.49 
1 1 1    9   12   31 o   12.489   0.6551   9.0957  164.400  -4.61  -1.43  -1.15  -0.51 
1 1 1    9   12   32 o   15.962   0.5537   14.943 -77.9000   6.06  -1.25  -1.06   0.22 
1 1 1    9   12   33 o   17.016   0.2690   14.527   76.000  -1.65   2.48  -0.75   1.74 
1 1 1    9   13    0 o   66.612   0.4340   51.186   89.800   0.00   0.20   0.00   0.00 
1 1 1    9   13    1 f   54.635   1.2846   41.761   73.500   3.22  14.62   3.65  -1.37 
1 1 1    9   13    2 o   36.971   0.2165   32.462 -56.7000   0.13  -0.26   0.31  -2.14 
1 1 1    9   13    3 o   48.541   0.7241   47.711   94.100   2.60   6.54   2.02  -2.44 
1 1 1    9   13    4 o   18.629   1.7706   29.593 -177.8000 -14.18   7.26  -1.76   2.56 
1 1 1    9   13    5 o   49.582   0.2727   51.617 -104.9000   0.98  -0.58  -0.53   0.44 
1 1 1    9   13    6 o   38.079   0.9545   27.279 -53.9000  -1.54 -10.42   4.93  -1.04 
1 1 1    9   13    7 o   42.745   0.7024   38.088   42.100  -2.29   4.71   1.22   2.37 
1 1 1    9   13    8 o   24.851   0.2243   19.952  -8.0000   0.60  -0.45   5.47   3.73 
1 1 1    9   13    9 o   47.254   0.7148   42.271 -102.9000  -0.23  -4.65   1.35   0.09 
1 1 1    9   13   10 o   37.388   1.5779   47.499  114.600  -7.43  13.14   2.42   3.44 
1 1 1    9   13   11 o   23.296   1.3279   17.066   35.600  16.95   1.18  -2.60  -0.43 
1 1 1    9   13   12 o   73.856   0.5689   80.707 -105.8000  -1.81  -7.86   1.47  -0.47 
1 1 1    9   13   13 o   17.047   0.8372   23.031   45.100  13.49  -6.94  -4.15   6.38 
1 1 1    9   13   14 f   29.729   0.1952   41.267  103.800  -1.66   1.52  -2.21   4.16 
1 1 1    9   13   15 o   24.638   0.2192   15.273 -112.7000  -3.76   6.28   2.15   3.21 
1 1 1    9   13   16 o   46.780   1.3558   55.565 -122.5000  -4.91 -27.69  11.27  -2.95 
1 1 1    9   13   17 f   24.105   0.1924   12.526   59.200   0.79  -0.52   0.01   0.68 
1 1 1    9   13   18 o   14.367   0.3594   8.1497 -41.4000   1.07   1.47   0.35  -0.72 
1 1 1    9   13   19 o   10.939   0.2683   12.148 -138.3000  -0.54   2.76  10.39   0.60 
1 1 1    9   13   20 o   13.556   0.4344   15.475 -153.9000  -1.47  -1.36   0.05  -0.59 
1 1 1    9   13   21 o   17.075   1.1046   20.047   98.400  -6.39  16.83   4.73   4.86 
1 1 1    9   13   22 o   8.8330   0.7576   14.239   38.100  10.92   3.52  -3.37  -2.13 
1 1 1    9   13   23 o   2.4314   0.8598   5.1263  125.500   0.03   0.09   0.01  -0.00 
1 1 1    9   13   24 f   18.379   0.6973   13.756 -135.4000  -7.25  -2.81  -0.91  -0.69 
1 1 1    9   13   25 o   14.150   0.2506   18.368 -135.6000  -1.48   1.80   0.44   0.92 
1 1 1    9   13   26 f   15.023   0.4155   18.739 -57.8000  -1.53  -2.58   0.14  -0.55 
1 1 1    9   13   27 o   11.365   0.4315   11.692   94.900  -2.48   1.63  -1.17   1.35 
1 1 1    9   13   28 o   22.991   0.7246   19.600   58.800   4.44   7.21   0.36  -1.15 
1 1 1    9   13   29 o   14.799   0.7238   13.750 -147.9000  -4.46   0.66  -0.50   0.24 
1 1 1    9   13   30 o   20.407   0.2374   26.176   43.400   0.35   0.45   0.23  -0.07 
1 1 1    9   13   31 o   3.6580   0.7603   4.8052   84.000   0.09   0.27   0.02  -0.14 
1 1 1    9   13   32 o   13.323   0.4174   12.182 -45.4000  -0.63  -3.16   1.61  -2.86 
1 1 1    9   13   33 o   0.0000   2.4529  ?   ?    0.52  -0.11  -0.12   0.02 
1 1 1    9   14    0 o   62.302   0.4320   57.902   90.200   0.00   0.37   0.00   0.00 
1 1 1    9   14    1 o   42.605   0.2875   33.886 -151.2000  -1.69   0.24  -2.48  -0.83 
1 1 1    9   14    2 o   44.229   0.2721   43.443 -66.4000   1.64  -0.21  -2.70  -1.26 
1 1 1    9   14    3 o   25.118   1.0601   17.389  146.300 -12.00   2.24  -4.29   1.99 
1 1 1    9   14    4 f   26.161   1.0290   23.733  162.500  -2.76   3.58   0.20   0.61 
1 1 1    9   14    5 o   48.910   0.8261   51.717 -62.7000   3.97  -0.61  -0.90   0.47 
1 1 1    9   14    6 o   15.426   0.4571   9.3161   88.200  -1.30   3.35   2.15   1.59 
1 1 1    9   14    7 o   16.042   0.6977   24.787   56.200   5.77  -0.12  -2.43  -0.05 
1 1 1    9   14    8 o   68.397   0.3135   66.778  153.300  -0.88   1.33   0.94   0.62 
1 1 1    9   14    9 o   11.052   0.8249   9.8031 -44.4000   3.32  -1.71  -0.26   0.38 
1 1 1    9   14   10 o   6.2369   0.5731   11.859 -95.8000  -0.75  -1.46   0.19  -0.25 
1 1 1    9   14   11 f   2.6861   0.7331   18.689  169.100  -0.10   0.36   0.32   0.13 
1 1 1    9   14   12 o   1.3735   0.9880   4.9165   1.6000   0.13   0.75   0.36  -0.16 
1 1 1    9   14   13 o   10.445   0.2580   17.090 -104.3000   3.82  -0.25  -6.30   0.14 
1 1 1    9   14   14 o   49.317   1.0867   46.041   50.000   5.18  24.92   5.84  -3.18 
1 1 1    9   14   15 o   12.812   0.2414   2.3783 -108.7000   4.43  -1.32  -8.08   7.30 
1 1 1    9   14   16 o   19.341   0.4376   19.634 -154.6000  -1.84   2.21  -0.06   2.26 
1 1 1    9   14   17 o   20.009   1.2108   19.986 -77.8000  23.80  -5.07  -9.43   3.61 
1 1 1    9   14   18 o   24.651   0.4144   31.483  127.200  -0.39   0.91   0.17   0.85 
1 1 1    9   14   19 o   8.3927   0.9024   17.938 -70.9000   5.59  -5.16  -0.05   1.63 
1 1 1    9   14   20 o   11.298   0.8534   15.132 -53.8000   9.92 -10.02  -0.32   5.90 
1 1 1    9   14   21 o   5.2277   0.4865   7.9829   59.800   0.19   0.01  -0.19   0.16 
1 1 1    9   14   22 o   22.935   0.7207   21.373  -9.3000  14.85  -6.11  -2.57   3.17 
1 1 1    9   14   23 o   5.7899   0.5108   6.8244 -151.1000  -0.17  -0.57   0.12  -0.05 
1 1 1    9   14   24 o   20.767   1.2802   24.237  112.000 -18.07  30.59   4.93  10.82 
1 1 1    9   14   25 o   6.0825   0.4747   7.9146   74.900   0.67  -0.16  -0.59  -0.12 
1 1 1    9   14   26 o   5.2598   0.5533   1.0666   16.800   0.57  -0.23  -0.39   0.10 
1 1 1    9   14   27 o   16.304   0.7209   18.191 -14.4000  12.97  -5.25  -2.48   3.11 
1 1 1    9   14   28 f   14.579   0.4007   9.3794 -78.2000   1.74  -0.82  -1.05   0.35 
1 1 1    9   14   29 o   7.9962   0.4271   7.4207  140.200   0.32  -0.34  -0.20   0.21 
1 1 1    9   14   30 o   12.468   0.9303   10.499   50.700 -15.77  11.14  -3.98   7.42 
1 1 1    9   14   31 o   6.3567   0.5457   7.9901 -173.4000   0.28   0.12  -0.01  -0.03 
1 1 1    9   14   32 o   15.831   1.4935   13.336 -108.8000 -18.93  -8.31  -3.71  -2.83 
1 1 1    9   15    0 o   0.0000   3.3015   0.5783  122.100   0.00   0.00   0.00   0.00 
1 1 1    9   15    1 o   18.693   0.4036   30.389   33.400   1.78   0.15  -0.88  -0.03 
1 1 1    9   15    2 o   15.603   1.4590   10.080   68.500   5.38  17.05   4.53  -2.98 
1 1 1    9   15    3 o   32.761   1.2645   18.234  167.800  -5.61   2.33  -0.64   0.56 
1 1 1    9   15    4 o   55.165   1.3104   52.915  177.500 -18.32   1.55  -4.94   1.26 
1 1 1    9   15    5 o   48.801   1.2427   48.614 -21.4000  18.93   8.75  -3.62  -4.89 
1 1 1    9   15    6 o   11.669   0.3177   18.583 -65.3000  -1.08  -7.23  10.11  -2.40 
1 1 1    9   15    7 o   32.828   0.1960   18.872 -90.4000   1.45  -0.38  -1.09   1.16 
1 1 1    9   15    8 o   29.933   1.1495   30.024  130.700 -13.21  29.70   8.98  10.74 
1 1 1    9   15    9 o   32.365   0.4336   21.088  115.100  -3.33  -1.94  -0.99  -3.43 
1 1 1    9   15   10 f   22.851   1.9074   26.083  149.300 -27.61  20.53  -1.55   5.63 
1 1 1    9   15   11 f   24.551   0.6703   24.732 -48.3000   9.24   8.37  -0.17  -6.23 
1 1 1    9   15   12 o   32.348   0.3627   40.337  178.600  -1.38   4.33   3.66   1.51 
1 1 1    9   15   13 o   45.358   0.7482   37.078   82.400   4.52  10.50   1.78  -2.41 
1 1 1    9   15   14 o   29.224   0.3420   35.266   77.600  -4.50   5.47  -0.13   6.06 
1 1 1    9   15   15 o   12.053   0.3564   2.4487 -60.7000  -1.93  -1.17  -0.28  -0.73 
1 1 1    9   15   16 o   23.404   0.8701   33.780 -56.2000   7.41  -7.32   0.21   2.67 
1 1 1    9   15   17 o   20.960   0.3315   24.207   20.700   1.45   3.25   3.44  -2.09 
1 1 1    9   15   18 o   7.2464   0.6677   6.4469  147.900  -2.91  -0.06  -0.46   0.01 
1 1 1    9   15   19 o   15.947   0.5935   18.330  179.200  -5.98   9.63   1.94   3.20 
1 1 1    9   15   20 o   15.341   0.2375   10.114  132.500   0.88  -0.07  -0.29   0.17 
1 1 1    9   15   21 f   16.061   0.5119   9.7941   24.300   3.08  -4.14   0.48   1.05 
1 1 1    9   15   22 o   20.706   0.4124   30.861  100.700  -5.34   0.14  -5.86  -1.99 
1 1 1    9   15   23 o   19.787   0.6953   14.394   96.400  -3.40  13.72   3.69   1.46 
1 1 1    9   15   24 o   23.404   0.4891   24.189 -105.4000  -3.47  -2.61  -0.87  -1.07 
1 1 1    9   15   25 o   28.333   0.2200   19.679 -165.7000  -0.65  -0.48  -0.40   0.01 
1 1 1    9   15   26 o   15.967   0.2473   18.061 -71.4000   1.00   0.89   1.67  -1.26 
1 1 1    9   15   27 f   9.5787   0.3713   7.2568  -6.0000   0.32   0.61   0.02  -0.07 
1 1 1    9   15   28 o   10.521   0.9479   9.9825   79.200   7.54   5.79  -0.60  -1.56 
1 1 1    9   15   29 o   3.8559   0.8069   4.3405 -124.5000   0.38  -0.07  -0.05  -0.00 
1 1 1    9   15   30 o   10.974   0.3776   13.300   63.700  -0.58   0.07  -0.05  -0.01 
1 1 1    9   15   31 o   15.370   0.3101   10.289 -53.3000   0.00   0.02  -0.00  -0.00 
1 1 1    9   16    0 f   42.615   0.3145   42.377   89.400   0.00   0.46   0.00   0.00 
1 1 1    9   16    1 o   13.670   1.0483   21.953 -168.6000 -29.56   0.21 -17.28  -0.15 
1 1 1    9   16    2 o   28.420   0.9921   25.047   15.200  12.87  13.24   0.42  -5.97 
1 1 1    9   16    3 f   43.126   0.5769   33.760   28.400   5.88   5.48   0.19  -3.70 
1 1 1    9   16    4 o   25.367   0.1899   28.304  112.800   0.01   0.26  -2.68  -1.48 
1 1 1    9   16    5 o   46.160   0.3561   51.214 -84.3000  -1.85  -0.64  -0.70  -1.06 
1 1 1    9   16    6 o   26.661   0.3965   30.312  137.100  -1.44   5.68   2.70   1.07 
1 1 1    9   16    7 o   33.078   0.1995   36.252   90.700   1.12  -0.11  -1.43  -0.53 
1 1 1    9   16    8 o   56.968   1.4802   43.014  100.800 -12.76  20.16   2.46   7.12 
1 1 1    9   16    9 o   9.5867   0.3319   13.572 -25.2000   0.79   0.81  -0.02  -0.31 
1 1 1    9   16   10 o   21.960   0.1989   15.505 -14.8000   0.30  -2.02   2.92  -0.02 
1 1 1    9   16   11 o   9.3466   0.3040   6.4949 -108.2000   1.09  -1.04   0.37   2.36 
1 1 1    9   16   12 o   24.015   0.5874   27.442  127.600 -10.28   7.78  -0.97   4.53 
1 1 1    9   16   13 o   18.958   0.3580   25.953 -84.1000  -5.84  -0.74  -8.94  -0.33 
1 1 1    9   16   14 f   11.745   0.6426   28.600   39.200   3.69   2.82  -0.50  -1.40 
1 1 1    9   16   15 o   23.375   1.9694   27.562 -173.2000 -64.78  -8.06 -12.56  -3.60 
1 1 1    9   16   16 o   8.3108   0.6799   10.066  176.700   4.82   6.46   1.00  -2.79 
1 1 1    9   16   17 o   0.4955   0.9079   9.2726 -12.1000  -0.58   0.16  -0.23   0.19 
1 1 1    9   16   18 o   30.721   0.2511   26.623  179.300  -0.81   0.30  -0.53  -0.13 
1 1 1    9   16   19 o   22.104   0.2087   30.344 -99.2000  -0.00  -0.16  -0.16  -0.06 
1 1 1    9   16   20 o   22.363   1.0047   15.836 -94.3000  19.97 -18.84  -1.74  10.56 
1 1 1    9   16   21 o   8.1719   0.3615   7.1688 -174.8000  -1.40  -0.42  -0.77  -0.24 
1 1 1    9   16   22 o   11.807   0.2821   13.774 -36.0000   1.66  -1.57   0.33   1.40 
1 1 1    9   16   23 o   8.3962   0.3952   6.7311 -57.1000  -0.34   0.87   0.72   0.04 
1 1 1    9   16   24 o   15.003   0.2572   10.204  108.200   0.20  -0.15   0.01   0.03 
1 1 1    9   16   25 o   16.062   0.2474   16.134  174.000  -0.02   0.83   0.28   0.30 
1 1 1    9   16   26 o   18.849   0.2383   13.654 -119.8000  -1.46  -0.78  -1.22   5.62 
1 1 1    9   16   27 o   25.411   0.2283   19.479 -32.7000   0.34  -0.14   0.07   0.07 
1 1 1    9   16   28 o   13.808   0.3512   11.975 -150.1000  -5.44   2.67  -0.80   1.73 
1 1 1    9   16   29 o   9.5500   0.4230   9.3112 -178.4000  -0.86   1.93   0.86   0.33 
1 1 1    9   16   30 o   8.5462   0.4624   6.0738   94.800  -0.09   0.74  -1.44   0.79 
1 1 1    9   16   31 o   0.0000   2.5362  ?   ?    0.11   0.13  -0.03  -0.07 
1 1 1    9   17    0 f   22.145   0.2809   7.5166 -87.9000   0.00   0.24   0.00   0.00 
1 1 1    9   17    1 o   12.924   0.3654   8.7716 -56.0000  -2.94  -2.20  -0.76  -4.95 
1 1 1    9   17    2 o   26.011   0.8061   25.916   60.600  -2.79   9.58   3.70   2.83 
1 1 1    9   17    3 f   14.750   0.2176   17.831   31.800   0.30  -1.38   1.32   0.31 
1 1 1    9   17    4 o   44.473   0.4940   39.313  162.600  -2.43   5.83   1.35   1.01 
1 1 1    9   17    5 o   22.478   0.2060   27.480 -55.3000   1.78  -0.04  -6.26  -3.25 
1 1 1    9   17    6 f   3.8346   0.5972   6.8028   18.400   0.43   0.37  -0.20  -0.56 
1 1 1    9   17    7 o   7.8633   0.8038   8.1597   16.900   0.77  -8.85   3.00   0.64 
1 1 1    9   17    8 o   13.583   1.2079   11.054   14.400  20.11 -45.48  14.98  15.71 
1 1 1    9   17    9 o   22.069   0.1940   23.618   58.500   3.11  -0.05  -1.79   0.35 
1 1 1    9   17   10 o   20.725   0.2962   25.828 -47.7000   3.50   2.91   0.01  -3.18 
1 1 1    9   17   11 o   17.328   1.4772   24.072   3.9000  15.92  25.46   3.52  -6.62 
1 1 1    9   17   12 o   60.946   0.3009   59.508  138.700  -3.10  -0.26  -1.78   1.22 
1 1 1    9   17   13 o   34.324   1.1178   25.780 -111.5000  19.31 -21.77   0.23   8.71 
1 1 1    9   17   14 o   13.894   0.2639   8.3716 -51.3000   1.08  -0.24  -0.69   0.67 
1 1 1    9   17   15 o   2.7175   0.7835   11.838   60.300   0.13   0.03  -0.16   0.06 
1 1 1    9   17   16 o   20.554   0.8818   18.424 -58.1000  -5.08 -13.54   2.99  -3.16 
1 1 1    9   17   17 o   11.600   0.2624   12.194 -47.0000   0.22  -0.03   0.47  -0.69 
1 1 1    9   17   18 o   9.7039   1.4198   7.8421 -141.4000 -18.18  19.57   0.92   7.86 
1 1 1    9   17   19 o   12.270   0.2649   10.863 -117.9000  -0.33  -0.35  -0.04  -0.11 
1 1 1    9   17   20 o   15.355   0.7951   10.079  124.600   6.13  14.52   3.85  -3.27 
1 1 1    9   17   21 o   14.575   0.2449   11.809   20.300   0.00   0.05   0.00   0.01 
1 1 1    9   17   22 o   21.385   0.2260   26.022  129.600  -0.30   0.62  -0.55   0.19 
1 1 1    9   17   23 o   15.429   0.5560   14.401   59.600   1.15   2.29   0.15  -0.34 
1 1 1    9   17   24 o   19.382   0.4293   20.212 -162.4000  -5.62   3.66  -0.37   2.64 
1 1 1    9   17   25 o   4.9860   0.5677   4.7714 -110.5000   0.38  -0.13   0.17   0.49 
1 1 1    9   17   26 o   20.151   0.2410   20.456 -116.9000   0.42  -0.54  -0.69  -0.27 
1 1 1    9   17   27 o   7.6100   0.4599   8.5769 -69.6000  -0.24  -0.09  -0.12   0.27 
1 1 1    9   17   28 o   13.406   0.4158   14.802  134.300   3.20   5.02   0.29  -1.97 
1 1 1    9   17   29 o   4.0359   0.7824   5.9038  159.400  -0.51  -0.08  -0.07  -0.07 
1 1 1    9   17   30 o   0.0000   2.4379  ?   ?   -0.10   0.02  -0.03  -0.01 
1 1 1    9   18    0 o   14.220   0.3499   2.9672 -73.3000   0.00   0.09   0.00   0.00 
1 1 1    9   18    1 o   39.074   0.6280   37.540 -143.1000  -5.04  -0.23  -4.68  -2.08 
1 1 1    9   18    2 f   16.426   1.1424   22.572   22.100  10.78  26.15   6.07  -5.67 
1 1 1    9   18    3 o   16.808   0.8900   23.753 -21.0000   9.92  14.28   2.23  -5.30 
1 1 1    9   18    4 o   19.575   0.9326   15.823 -172.9000 -17.10   1.93  -5.56   0.99 
1 1 1    9   18    5 o   2.7198   0.7858   9.7267 -23.6000   0.02   0.07   0.00  -0.00 
1 1 1    9   18    6 o   13.936   0.6384   16.584 -98.9000   7.46  -6.01  -0.73   2.74 
1 1 1    9   18    7 o   12.398   0.2548   15.924   82.000   0.06   0.11   0.17   0.03 
1 1 1    9   18    8 o   16.471   1.1140   12.225  113.900 -11.57  11.91  -0.09   4.63 
1 1 1    9   18    9 o   10.400   0.5119   14.439 -148.7000  -2.68  -3.39   0.65  -1.94 
1 1 1    9   18   10 o   21.634   0.4872   23.915 -58.3000  -4.70  -6.27   0.59  -3.61 
1 1 1    9   18   11 o   4.8416   0.5786   2.4006 -23.6000   0.24  -0.09   0.15   0.96 
1 1 1    9   18   12 f   30.924   0.2104   22.999  170.300  -1.30   0.63   0.20   1.75 
1 1 1    9   18   13 o   27.358   0.6094   24.246 -79.9000   6.42  -2.43  -1.61   0.97 
1 1 1    9   18   14 o   7.5128   0.4324   8.7732 -56.4000   1.33  -0.91  -0.10   0.45 
1 1 1    9   18   15 f   8.8760   0.8823   12.098 -127.5000  -3.39  -8.32   1.61  -1.38 
1 1 1    9   18   16 o   9.8767   1.2323   6.3034 -90.0000 -12.50 -14.98   0.69  -5.31 
1 1 1    9   18   17 f   0.0000   2.1151  ?   ?   -0.16  -0.03  -0.02  -0.01 
1 1 1    9   18   18 o   19.844   1.2215   17.736  171.700 -19.45  -4.10  -2.75  -1.47 
1 1 1    9   18   19 o   4.7357   0.5816   5.5716 -75.8000   1.28  -0.63  -0.23   0.48 
1 1 1    9   18   20 o   14.065   0.2867   17.384 -123.0000   2.09  -2.98  -0.29   2.52 
1 1 1    9   18   21 o   6.2160   0.6713   5.9343  142.600   1.07  -1.02  -0.06   0.21 
1 1 1    9   18   22 o   15.107   0.2411   11.989 -88.8000   0.74  -0.66   0.11   0.26 
1 1 1    9   18   23 o   16.972   0.6262   18.292 -53.0000  -6.10 -11.46   3.51  -3.55 
1 1 1    9   18   24 o   4.6419   0.6799   5.1133   50.200  -0.21  -0.19  -0.03  -0.04 
1 1 1    9   18   25 o   8.1885   0.8009   6.0144  113.200  -2.35   3.86   0.28   0.96 
1 1 1    9   18   26 o   5.2503   0.6590   6.8435 -106.9000  -0.12   0.12   0.11  -0.10 
1 1 1    9   18   27 o   17.363   0.6676   17.976 -37.7000   5.29   2.29  -0.67  -1.52 
1 1 1    9   18   28 o   10.205   0.3908   13.074  119.400  -0.06  -0.00  -0.00   0.00 
1 1 1    9   18   29 o   9.9827   1.1277   9.8157 -113.2000   1.82  -5.31   0.55   0.72 
1 1 1    9   19    0 o   44.658   0.3632   44.849 -90.4000   0.00   0.10   0.00   0.00 
1 1 1    9   19    1 f   33.813   0.8974   22.266 -163.0000 -11.67  -3.70  -3.41  -3.25 
1 1 1    9   19    2 o   17.327   0.3229   21.999 -42.7000   0.78   1.55   0.36  -0.34 
1 1 1    9   19    3 o   10.055   0.3003   15.359   67.900  -0.85   2.05   1.23   1.82 
1 1 1    9   19    4 o   14.308   0.2371   5.4122   74.900   0.51   0.87   0.06  -0.16 
1 1 1    9   19    5 o   54.687   0.2797   43.937 -126.9000  -6.77   3.36  -0.69   1.73 
1 1 1    9   19    6 o   20.763   0.2075   25.058 -155.4000  -1.78   0.48  -0.82   0.89 
1 1 1    9   19    7 f   0.0000   2.0731  ?   ?   -0.05  -0.06   0.43   0.07 
1 1 1    9   19    8 o   15.430   0.2252   5.1396 -73.0000   0.09   0.14  -0.32  -0.09 
1 1 1    9   19    9 f   11.554   0.9592   8.8126  116.200  -9.14   3.37  -1.94   1.47 
1 1 1    9   19   10 o   26.490   0.8743   26.322 -115.6000  -7.57  -8.01   0.70  -3.69 
1 1 1    9   19   11 o   24.294   0.3669   23.415   41.100  -0.37   1.60   0.48   0.61 
1 1 1    9   19   12 o   23.562   0.5888   26.750  117.400  -9.52   3.66  -1.82   2.15 
1 1 1    9   19   13 o   7.6633   0.9242   14.351 -150.0000  -6.79   5.70  -0.24   2.47 
1 1 1    9   19   14 o   12.420   0.7892   11.349 -137.0000  -8.58  -1.97  -1.62  -0.96 
1 1 1    9   19   15 o   13.350   0.4890   15.782   93.800  -6.46   5.79  -1.01   3.82 
1 1 1    9   19   16 f   3.0971   0.9036   4.5260 -121.8000   0.67  -1.53   0.44   0.34 
1 1 1    9   19   17 o   1.8933   1.0603   4.4597 -27.4000  -0.65  -0.91   0.13  -0.25 
1 1 1    9   19   18 o   4.8779   1.1035   4.0812 -149.5000  -1.47   5.79   2.18   0.88 
1 1 1    9   19   19 o   8.1249   1.0173   6.3247   2.9000   2.67   2.07  -0.04  -0.31 
1 1 1    9   19   20 o   10.665   0.7966   6.2218 -52.8000  -0.87  -7.04   1.47  -0.59 
1 1 1    9   19   21 o   6.1710   0.9764   4.7227  131.600  -2.22   0.19  -0.25   0.08 
1 1 1    9   19   22 o   5.9345   0.5542   5.5911   90.800   0.69   0.20  -0.30   0.00 
1 1 1    9   19   23 o   25.213   0.3218   23.439   77.500  -1.35   1.79  -0.44   0.76 
1 1 1    9   19   24 o   22.763   0.2505   20.055 -170.8000  -1.01   1.69   2.36  -0.70 
1 1 1    9   19   25 o   9.6753   0.4148   10.140   36.700  -0.80   1.16  -0.35   0.95 
1 1 1    9   19   26 o   7.0509   0.5116   8.3687 -109.7000  -1.41  -1.99  -0.05  -0.99 
1 1 1    9   19   27 o   5.5928   0.6837   7.7046 -100.7000  -1.42  -0.98  -0.53  -0.43 
1 1 1    9   19   28 o   15.181   0.5982   14.514 -120.8000  -0.57   0.69  -0.03   0.07 
1 1 1    9   20    0 o   5.7359   0.7088   0.6238 -91.9000  -0.00  -0.09   0.00   0.00 
1 1 1    9   20    1 o   23.337   0.3851   18.202  177.000  -3.92   7.71   3.95   3.76 
1 1 1    9   20    2 f   13.493   0.2546   12.476 -119.9000   0.03  -0.09  -0.02   0.05 
1 1 1    9   20    3 o   8.0227   0.3919   7.0026 -107.4000   0.07   0.40   0.19   0.00 
1 1 1    9   20    4 o   16.582   0.3247   13.714 -112.5000  -0.47  -1.51   0.71  -0.25 
1 1 1    9   20    5 o   13.278   0.2699   5.9254  108.500   0.38   0.27  -0.17  -0.17 
1 1 1    9   20    6 o   24.641   0.4072   26.472 -102.1000   5.66  -2.26  -8.21   3.60 
1 1 1    9   20    7 o   17.609   0.7705   8.7564 -106.5000  -2.96  -8.22   2.43  -1.54 
1 1 1    9   20    8 f   15.876   0.2299   10.861 -49.2000  -0.24   0.23   0.65  -0.92 
1 1 1    9   20    9 o   13.747   0.6864   14.918  146.700  -5.23   3.29  -0.39   1.05 
1 1 1    9   20   10 f   22.348   0.2959   16.699 -58.0000   1.38   1.36   0.28  -0.74 
1 1 1    9   20   11 o   17.446   0.2296   6.4618   6.6000   0.74  -1.27   4.09   0.05 
1 1 1    9   20   12 o   20.736   0.4280   17.691  154.400  -5.01  -2.40  -1.79  -5.72 
1 1 1    9   20   13 o   14.483   1.0486   12.111 -19.7000  17.63   1.41  -3.91  -0.32 
1 1 1    9   20   14 o   7.2818   0.4370   2.5006 -31.4000  -0.17  -0.02   0.08  -0.23 
1 1 1    9   20   15 o   11.485   0.3166   17.552 -104.1000   0.12  -0.62  -2.12   1.60 
1 1 1    9   20   16 o   10.244   0.3405   8.3117 -113.3000   0.59   0.13  -0.18  -0.52 
1 1 1    9   20   17 o   4.8637   1.5923   4.4690  131.900   0.04   3.59   0.49   0.04 
1 1 1    9   20   18 o   6.9999   0.4288   3.4249   8.1000   1.81   0.85  -0.66  -0.40 
1 1 1    9   20   19 o   7.5649   0.4117   4.3720 -67.7000   1.64  -0.75  -0.05   3.09 
1 1 1    9   20   20 f   6.1453   0.4741   3.3409  150.700   0.22  -0.27   0.08   0.07 
1 1 1    9   20   21 o   10.090   1.0931   8.7409 -170.7000 -10.21   1.62  -1.70   0.79 
1 1 1    9   20   22 o   13.684   0.2990   11.862 -79.9000   0.06   0.62  -0.20   0.73 
1 1 1    9   20   23 o   19.007   0.2529   17.687 -71.6000  -0.59   0.71   0.16   0.13 
1 1 1    9   20   24 f   15.221   0.3321   7.9476   30.700   0.22   1.57   0.34   0.10 
1 1 1    9   20   25 o   9.0850   0.4355   14.096   41.600   1.18  -0.14   0.26   1.86 
1 1 1    9   20   26 o   12.943   0.3577   10.355 -74.9000  -1.57   0.87  -1.57  -0.22 
1 1 1    9   20   27 o   9.4814   0.7881   12.830  -9.3000   2.04   0.82  -0.11  -0.30 
1 1 1    9   21    0 o   12.538   0.3904   12.700 -89.2000  -0.00  -0.30   0.00   0.00 
1 1 1    9   21    1 o   12.546   0.7024   11.248  134.600   7.39   5.88  -1.07  -3.12 
1 1 1    9   21    2 o   10.961   0.8591   13.049   95.800  -1.67  10.63   2.78   0.65 
1 1 1    9   21    3 o   13.750   1.0211   11.980 -43.0000   9.24 -16.56   2.91   4.07 
1 1 1    9   21    4 o   35.029   0.4853   30.732   33.700   6.52  -4.13  -0.41   2.60 
1 1 1    9   21    5 o   14.336   0.3969   13.312 -112.0000   3.11  -6.18   2.05   4.19 
1 1 1    9   21    6 f   10.002   0.4751   15.614 -96.2000   3.78  -1.90  -1.36   1.34 
1 1 1    9   21    7 o   8.4393   0.5885   8.8321   1.2000   2.03  -4.55   1.17   1.01 
1 1 1    9   21    8 o   28.681   0.2132   17.470   92.100  -0.68   0.65   0.27   0.28 
1 1 1    9   21    9 o   13.094   1.2574   10.852 -173.0000 -21.58   9.43  -4.30   4.10 
1 1 1    9   21   10 o   25.974   1.1443   18.828 -132.0000 -17.21 -15.24  -0.02  -4.88 
1 1 1    9   21   11 o   14.318   0.2713   5.9936 -13.3000  -0.60  -0.61   0.53  -0.51 
1 1 1    9   21   12 o   13.107   0.4067   10.109 -50.8000   4.46   1.90  -1.14  -1.89 
1 1 1    9   21   13 o   10.839   0.4307   12.672 -168.8000  -3.64   3.17   0.16   2.27 
1 1 1    9   21   14 o   23.493   0.2256   15.760  152.300  -0.27   1.12   0.68  -0.32 
1 1 1    9   21   15 o   19.501   0.3641   10.686   43.100  -3.35  11.04   4.59   6.84 
1 1 1    9   21   16 o   3.7524   0.7191   1.2191   22.500  -0.86   0.41  -0.22   0.14 
1 1 1    9   21   17 f   17.102   0.2469   19.280  113.700   0.17   2.06   1.11  -2.33 
1 1 1    9   21   18 o   1.9254   1.1057   2.8568 -28.6000  -0.28  -0.51   0.20  -0.13 
1 1 1    9   21   19 f   13.848   0.7256   12.551 -171.1000  -3.94  -1.67  -0.61  -0.39 
1 1 1    9   21   20 o   6.9063   0.5123   7.0420  146.200   0.30  -0.19   0.39  -0.00 
1 1 1    9   21   21 o   3.0918   0.8200   3.9166   72.900   0.11  -0.08   0.02  -0.15 
1 1 1    9   21   22 o   11.601   0.4110   8.6420  100.200  -0.14   1.24   0.15   0.10 
1 1 1    9   21   23 o   22.219   0.2395   17.858  114.600   0.06   0.83  -0.07  -0.35 
1 1 1    9   21   24 o   4.0422   1.8205   8.4431 -140.3000   0.34   1.32   0.12  -0.11 
1 1 1    9   21   25 f   8.1961   0.4860   10.978  123.300  -0.49   0.00   0.54   0.00 
1 1 1    9   21   26 o   10.110   0.6112   7.3136  106.500   1.51   2.05   0.53  -0.40 
1 1 1    9   22    0 o   14.223   0.3599   15.482   90.200  -0.00  -0.40   0.00   0.00 
1 1 1    9   22    1 o   9.9908   0.3514   13.075 -45.2000  -1.79   1.28  -0.05   1.08 
1 1 1    9   22    2 f   10.524   0.3319   8.4226  107.200   1.69   1.03  -0.69  -0.71 
1 1 1    9   22    3 o   3.8668   1.7289   5.9963   82.500  -0.07   3.13   0.63   0.08 
1 1 1    9   22    4 o   19.243   0.2253   19.719   14.300   2.59  -0.02  -1.24   0.53 
1 1 1    9   22    5 f   1.5448   1.0227   6.0044  170.700   0.08  -0.07   0.05   0.05 
1 1 1    9   22    6 o   12.875   0.4948   7.5638 -76.2000  -0.88  -2.75   0.32  -0.33 
1 1 1    9   22    7 o   9.9436   0.6441   7.3117 -87.3000  -4.23  -6.63   1.90  -2.87 
1 1 1    9   22    8 o   9.5927   0.3352   6.0592 -34.5000  -0.59  -0.43   0.23  -0.59 
1 1 1    9   22    9 o   9.1823   1.0546   15.854 -175.1000 -11.40  -3.94  -2.57  -1.68 
1 1 1    9   22   10 o   21.491   0.3483   23.380 -111.0000  -2.46  -1.65  -0.29  -0.38 
1 1 1    9   22   11 o   7.6873   0.4535   19.575 -29.3000   1.61   1.44   0.43  -1.52 
1 1 1    9   22   12 o   10.687   0.3356   9.4933   52.400   0.21   0.50   0.02  -0.28 
1 1 1    9   22   13 o   12.819   0.2924   10.433   75.300  -5.24  -0.58  -4.27  -4.31 
1 1 1    9   22   14 o   3.6700   0.9083   6.1176  136.400  -1.31  -0.59  -0.23  -0.15 
1 1 1    9   22   15 o   26.639   0.3854   26.176 -116.3000  -6.45  -0.32  -5.40   4.18 
1 1 1    9   22   16 o   12.176   0.3085   12.988  169.600  -0.29   0.04  -0.04  -0.02 
1 1 1    9   22   17 o   10.809   0.9205   8.3226 -120.1000  -5.39  -4.06  -0.45  -0.95 
1 1 1    9   22   18 o   5.2512   0.6179   4.6567  169.700  -0.11   0.36   0.22  -0.22 
1 1 1    9   22   19 o   7.5449   0.7617   6.9258  173.700  -4.87   1.50  -1.46   0.53 
1 1 1    9   22   20 o   3.4795   0.8851   2.6884   9.6000   0.11  -0.01   0.02   0.04 
1 1 1    9   22   21 f   10.930   0.5470   7.8336 -72.8000   4.31  -4.02  -1.16   2.78 
1 1 1    9   22   22 o   16.377   0.2761   14.477 -111.6000   0.89  -0.82  -0.70   0.16 
1 1 1    9   22   23 o   13.918   0.4260   14.572 -60.6000   2.97  -0.56  -0.96  -0.21 
1 1 1    9   22   24 f   3.5815   0.9145   2.9627  157.300   0.09  -0.56   0.04   0.17 
1 1 1    9   23    0 o   2.9665   1.1054   8.7927 -90.4000  -0.00  -0.08   0.00   0.00 
1 1 1    9   23    1 o   17.285   0.2453   15.730   64.800  -0.84  -0.58   0.12  -0.43 
1 1 1    9   23    2 f   21.221   0.9314   9.7691 -147.2000 -12.02 -18.74   3.52  -5.64 
1 1 1    9   23    3 o   14.636   1.1150   13.476 -24.8000   2.12 -26.80  10.12   0.57 
1 1 1    9   23    4 o   12.244   1.6067   5.8302   79.400  -9.66  23.26   3.45   3.96 
1 1 1    9   23    5 o   12.802   0.4483   8.9185  162.300  -8.61  13.63   7.00   9.88 
1 1 1    9   23    6 o   16.651   0.6402   16.166 -48.2000   7.34  -1.17  -1.93   0.27 
1 1 1    9   23    7 o   20.696   1.0131   16.429   53.000  12.39  20.10   2.69  -4.19 
1 1 1    9   23    8 o   11.714   0.7503   16.671  107.100   4.44   4.77   0.24  -1.17 
1 1 1    9   23    9 f   5.0330   0.5930   3.9538   19.600   0.18  -0.28   0.05   0.04 
1 1 1    9   23   10 f   7.9318   0.5054   6.6976   35.600   1.83  -0.02  -0.47   0.21 
1 1 1    9   23   11 o   0.0000   2.2827  ?   ?    0.18  -0.14  -0.10   0.06 
1 1 1    9   23   12 o   3.3756   0.8049   3.3393 -40.1000   0.27  -0.67   0.47   0.05 
1 1 1    9   23   13 o   7.0896   0.7675   7.1356 -125.0000   2.84  -3.53  -0.02   1.47 
1 1 1    9   23   14 f   8.1566   0.4262   7.2359   83.500  -0.06  -0.31  -0.31   0.34 
1 1 1    9   23   15 o   17.005   0.2640   15.991 -20.7000   1.76  -1.10   6.50  -0.38 
1 1 1    9   23   16 o   5.3765   0.6474   6.1394   23.100  -0.10  -0.02   0.02   0.04 
1 1 1    9   23   17 o   7.9828   0.5066   14.504  122.800   0.11   3.31   1.20  -0.64 
1 1 1    9   23   18 o   13.195   0.2985   14.644 -21.4000   0.41  -0.41   0.56  -0.32 
1 1 1    9   23   19 o   4.3801   0.7582   7.9338 -144.4000   0.05  -0.65   0.17   0.27 
1 1 1    9   23   20 o   8.8610   0.4924   3.2916  160.200   0.38  -0.14  -0.01   0.03 
1 1 1    9   23   21 o   2.8223   1.0985   0.3372 -76.2000   0.19   0.53   0.13  -0.01 
1 1 1    9   23   22 f   15.693   0.3742   12.670 -154.6000  -2.19   0.03  -0.32   0.22 
1 1 1    9   23   23 o   0.0000   2.5502  ?   ?   -0.57  -0.17  -0.05  -0.13 
1 1 1    9   24    0 o   2.6646   1.3286   2.8784   91.200   0.00   0.04   0.00   0.00 
1 1 1    9   24    1 f   6.2524   0.6742   6.8284 -85.0000  -1.49   0.27  -0.21   0.03 
1 1 1    9   24    2 o   6.4884   0.5621   8.0992  170.400  -1.14  -0.77   0.02  -0.56 
1 1 1    9   24    3 o   13.969   0.8460   15.991   15.400   6.29   9.76   1.85  -2.88 
1 1 1    9   24    4 o   5.9615   0.5993   8.9964 -31.6000   0.03  -0.37   0.08  -0.08 
1 1 1    9   24    5 o   3.6858   0.9731   3.2053 -106.7000  -1.53  -1.23  -0.26  -0.47 
1 1 1    9   24    6 o   0.0000   2.2271  ?   ?    0.17  -0.11   0.06   0.10 
1 1 1    9   24    7 o   12.196   0.3142   15.448   90.000  -2.82  -0.04  -1.88  -2.00 
1 1 1    9   24    8 f   11.742   0.5001   13.745  145.600  -0.85  -1.50   0.16  -0.14 
1 1 1    9   24    9 o   15.189   0.7028   14.001 -157.4000  -4.37  -1.99  -0.93  -0.60 
1 1 1    9   24   10 o   14.179   0.2910   17.156 -79.1000  -0.04  -0.42   0.04   0.02 
1 1 1    9   24   11 o   23.056   0.2311   20.342 -34.2000   3.66   2.50   0.00  -0.87 
1 1 1    9   24   12 o   6.3186   0.5641   7.1862   56.900   0.11   0.10   0.03  -0.01 
1 1 1    9   24   13 o   9.2791   0.6325   14.837  116.900   3.32   3.35  -0.53  -1.64 
1 1 1    9   24   14 o   10.173   0.3885   10.769 -22.9000   0.48   1.22   0.44  -0.03 
1 1 1    9   24   15 o   2.9189   0.9288   5.1135 -112.8000   0.16  -0.42  -0.08   0.28 
1 1 1    9   24   16 o   2.5295   1.0283   3.7143  157.300  -0.05  -0.07   0.02   0.02 
1 1 1    9   24   17 o   4.0464   0.8011   1.7236 -55.3000  -0.28  -0.25  -0.15  -0.06 
1 1 1    9   24   18 o   10.138   0.5419   8.5374 -139.2000   1.79  -2.47  -0.15   0.88 
1 1 1    9   24   19 o   4.6068   0.7982   9.1516 -135.0000  -1.46   0.07  -0.48  -0.27 
1 1 1    9   24   20 o   17.913   0.5840   16.293 -50.6000   2.85  -3.67   0.55   0.65 
1 1 1    9   24   21 o   7.7904   0.5484   8.3650 -34.8000  -0.56  -0.49   0.30  -0.02 
1 1 1    9   25    0 o   7.3892   0.7795   0.9519 -84.4000  -0.00  -0.37   0.00   0.00 
1 1 1    9   25    1 o   8.6559   1.1193   8.6008  176.300  -1.14   7.68   1.21   0.18 
1 1 1    9   25    2 o   8.0807   0.4980   8.4152 -34.0000  -0.28   0.25  -0.27  -0.18 
1 1 1    9   25    3 o   9.3015   0.8012   9.2814   30.000   0.51   9.92   4.47   0.58 
1 1 1    9   25    4 o   14.330   0.7391   8.6703  163.900  -4.45   6.35   0.17   2.46 
1 1 1    9   25    5 o   14.783   0.2976   13.145  146.000  -1.23   4.32   6.15  -1.53 
1 1 1    9   25    6 f   6.8604   0.5053   9.6467 -150.3000   0.04  -0.90   0.34   0.43 
1 1 1    9   25    7 f   3.9239   0.8100   2.4945 -165.6000   0.42   0.15  -0.02  -0.04 
1 1 1    9   25    8 o   15.493   0.2821   10.010  -5.7000   0.37  -0.54  -0.18   0.17 
1 1 1    9   25    9 o   16.070   0.2916   14.581 -63.0000  -0.01  -0.16  -0.02  -0.03 
1 1 1    9   25   10 o   6.6246   0.6983   6.1128   99.000  -1.47   0.54  -0.18   0.08 
1 1 1    9   25   11 o   8.9177   0.4236   3.0743   30.900   0.65  -0.09  -0.06   0.24 
1 1 1    9   25   12 o   11.510   0.4702   10.512   26.400   0.74   0.10  -0.09   0.04 
1 1 1    9   25   13 o   9.4199   0.5814   9.7340 -179.8000  -1.72   3.51   1.46   0.68 
1 1 1    9   25   14 o   4.8354   1.0101   6.2479 -18.0000   1.38  -0.46  -0.17   0.07 
1 1 1    9   25   15 o   5.7094   0.6605   12.119  -2.4000   0.65   0.64   0.76  -0.22 
1 1 1    9   25   16 o   1.6158   1.3158   6.3928   2.7000   0.07  -0.02   0.00   0.01 
1 1 1    9   25   17 o   0.0000   2.6382  ?   ?   -0.21  -0.01   0.05  -0.13 
1 1 1    9   25   18 f   5.9697   1.3486   7.0221 -40.1000   1.58  -1.65   0.08   0.22 
1 1 1    9   25   19 o   11.207   0.4008   12.098  -2.4000   0.38  -0.38  -0.04   0.03 
1 1 1    9   25   20 o   3.7157   1.0338   6.8226  137.100  -0.50  -0.25   0.05  -0.10 
1 1 1    9   26    0 f   5.5136   0.9407   3.1585   90.000   0.00   0.20   0.00   0.00 
1 1 1    9   26    1 o   20.080   0.7867   21.482  103.000  20.00  10.53  -5.66  -4.90 
1 1 1    9   26    2 o   5.1828   0.7304   4.5291 -125.3000  -1.16   1.49   0.40   0.44 
1 1 1    9   26    3 o   16.264   0.2849   11.699   5.8000   1.22   0.73  -0.18  -0.11 
1 1 1    9   26    4 o   3.2268   1.0471   4.7161   79.700   0.95  -0.05  -0.37  -0.30 
1 1 1    9   26    5 f   8.8652   0.8003   6.8904 -22.2000   3.12  -1.76  -0.59   0.48 
1 1 1    9   26    6 o   4.6251   0.7113   2.8806 -134.4000   0.69  -0.14  -0.02   0.42 
1 1 1    9   26    7 o   16.855   0.4343   13.008  103.900   8.33   3.48  -4.24  -1.47 
1 1 1    9   26    8 o   14.850   0.5390   12.359  139.600  -0.01   2.66   0.46  -0.26 
1 1 1    9   26    9 o   13.283   0.3089   14.474 -88.6000  -0.10  -0.21  -0.03   0.07 
1 1 1    9   26   10 f   2.3246   1.2008   4.0406   96.900   0.23  -0.10  -0.03   0.01 
1 1 1    9   26   11 o   9.5835   0.5367   8.5547   17.600   0.15  -1.35   0.22  -0.08 
1 1 1    9   26   12 o   6.2086   0.6818   4.1999  159.600   0.90   0.74   0.06  -0.17 
1 1 1    9   26   13 o   12.674   0.3743   12.858  126.500   0.24   0.62  -0.43   0.11 
1 1 1    9   26   14 o   18.181   1.0889   11.137   12.700  12.45   0.26  -2.12   0.50 
1 1 1    9   26   15 o   13.241   0.3977   11.191   71.600  -0.40   0.73  -0.27   0.11 
1 1 1    9   26   16 o   13.008   0.8488   5.8483   57.700  -0.40   1.69   0.10   0.00 
1 1 1    9   26   17 o   0.0000   2.7537  ?   ?    0.19  -0.10   0.10   0.03 
1 1 1    9   26   18 o   0.0000   2.7974  ?   ?   -0.09  -0.10  -0.08   0.00 
1 1 1    9   27    0 o   1.4142   1.5283   1.7631 -94.9000  -0.00  -0.12   0.00   0.00 
1 1 1    9   27    1 o   13.170   0.3940   12.136 -157.2000  -1.12  -2.46   1.74   0.44 
1 1 1    9   27    2 o   10.003   0.4620   6.8110   1.8000   1.32  -0.38  -0.08   0.24 
1 1 1    9   27    3 o   12.178   0.3588   2.8324 -118.6000   1.11  -0.95   1.59  -0.11 
1 1 1    9   27    4 o   12.423   0.4709   12.611  142.200  -2.76  -0.48  -0.44  -0.68 
1 1 1    9   27    5 o   0.9718   1.2350   9.0019  131.000  -0.44  -0.14  -0.00  -0.20 
1 1 1    9   27    6 o   14.953   0.3328   11.363 -154.9000   0.57  -1.52  -0.30   0.83 
1 1 1    9   27    7 o   12.653   0.3850   11.503 -160.3000  -1.05  -0.28  -0.05  -0.12 
1 1 1    9   27    8 f   11.182   0.4259   8.4703 -69.6000  -0.44  -0.11  -0.07   0.08 
1 1 1    9   27    9 o   13.989   0.5058   15.445 -75.1000   0.98  -0.38   0.05   0.23 
1 1 1    9   27   10 o   9.4351   0.7864   8.3818  130.300  -2.16   2.89  -0.04   0.49 
1 1 1    9   27   11 o   7.6641   0.5798   10.884   74.300   0.77   0.42  -0.38   0.24 
1 1 1    9   27   12 o   4.1825   0.9793   6.5147  126.000  -0.33  -0.22   0.12  -0.01 
1 1 1    9   27   13 o   9.5803   0.5049   5.1528 -175.3000  -0.82  -0.94   0.31  -0.11 
1 1 1    9   27   14 o   3.1719   1.0966   3.8636  169.300  -0.43   0.19   0.05   0.08 
1 1 1    9   27   15 o   0.0000   2.7686  ?   ?    0.32   0.42   0.19  -0.04 
1 1 1    9   28    0 o   6.8557   1.0675   0.6532  102.400   0.00   0.15   0.00   0.00 
1 1 1    9   28    1 o   8.9976   0.5397   15.820  124.200  -1.11   1.03  -1.03  -0.12 
1 1 1    9   28    2 o   8.8403   0.6438   7.4991   89.900  -0.84   1.54   0.34   0.10 
1 1 1    9   28    3 o   0.0000   2.9078  ?   ?    0.05   0.02   0.00  -0.00 
1 1 1    9   28    4 o   13.251   0.4867   8.8075   76.100   0.53  -1.22  -0.54  -0.67 
1 1 1    9   28    5 o   3.3886   1.5980   3.4914 -168.4000  -1.43  -0.06  -0.27   0.12 
1 1 1    9   28    6 o   0.0000   2.6147  ?   ?    0.88  -0.36  -0.08   0.22 
1 1 1    9   28    7 o   10.382   0.5136   9.0475  134.200  -1.95   0.76  -0.53  -0.13 
1 1 1    9   28    8 f   7.1326   0.9006   2.6680  105.800  -0.55   2.57   0.45  -0.06 
1 1 1    9   28    9 o   7.2975   0.6246   4.1564 -109.3000   0.01  -0.02  -0.00  -0.00 
1 1 1    9   28   10 o   9.7931   0.4882   8.5057  113.200  -0.78  -0.62  -0.23  -0.02 
1 1 1    9   28   11 o   11.183   0.5125   11.352   58.600   0.27  -0.29  -0.04  -0.02 
1 1 1    9   28   12 o   7.6928   0.6833   5.9210  170.600  -0.29  -1.25   0.01  -0.20 
1 1 1    9   29    0 o   0.0000   4.5387   4.4019   89.600  -0.00  -0.05   0.00   0.00 
1 1 1    9   29    1 o   13.970   0.4107   7.1839 -123.4000   0.62  -0.46   0.02  -0.24 
1 1 1    9   29    2 o   0.0000   2.8784  ?   ?   -0.09  -0.23  -0.00  -0.03 
1 1 1    9   29    3 o   10.009   0.7863   7.4190 -115.3000   0.26  -1.75   0.19  -0.13 
1 1 1    9   29    4 o   10.627   0.5602   11.181  124.700  -0.38   0.41   0.01  -0.12 
1 1 1    9   29    5 o   11.109   0.4718   13.221  157.400   0.06   0.22  -0.02  -0.00 
1 1 1    9   29    6 o   4.1426   1.0110   6.1805 -54.0000  -0.00  -0.64   0.01  -0.11 
1 1 1    9   29    7 o   13.431   0.4449   13.605 -170.5000  -1.39   0.06  -0.05   0.18 
1 1 1    9   29    8 o   9.4004   0.8752   3.9661 -57.4000  -0.94   0.65   0.05   0.07 
1 1 1   10    0    0 o  129.718   1.4797  152.748  -0.0000   0.00   0.00   0.00   0.00 
1 1 1   10    0    1 o   73.935   0.4617   83.219 -89.9000   0.00   0.23   0.00   0.00 
1 1 1   10    0    2 o   30.615   0.2302   36.609 -179.8000  -0.07   0.00   0.00   0.00 
1 1 1   10    0    3 o   73.703   0.4571   85.013 -89.7000  -0.00  -0.06   0.00   0.00 
1 1 1   10    0    4 o   34.237   0.3584   26.137  -0.2000   0.04   0.00   0.00   0.00 
1 1 1   10    0    5 o   68.729   0.4172   86.553 -90.1000  -0.00  -0.16   0.00   0.00 
1 1 1   10    0    6 o   34.134   0.2458   38.153   0.2000  -0.07   0.00   0.00   0.00 
1 1 1   10    0    7 o   28.936   0.3044   36.719 -89.4000   0.00   0.23   0.00   0.00 
1 1 1   10    0    8 o   21.682   0.2237   1.1359 -173.4000  -0.11   0.00   0.00   0.00 
1 1 1   10    0    9 f   14.103   0.2713   9.1336 -93.3000   0.00   0.04   0.00   0.00 
1 1 1   10    0   10 o   20.620   0.2255   18.592  -1.0000   0.06   0.00   0.00   0.00 
1 1 1   10    0   11 o   71.431   0.4390   70.166 -89.7000  -0.00  -0.50   0.00   0.00 
1 1 1   10    0   12 o   37.344   0.2606   64.908   0.6000   0.11   0.00   0.00   0.00 
1 1 1   10    0   13 o   40.564   0.3156   44.547   89.800   0.00   0.11   0.00   0.00 
1 1 1   10    0   14 o   18.913   0.3325   7.0793   1.7000   0.01   0.00   0.00   0.00 
1 1 1   10    0   15 f   66.049   0.4489   68.246 -89.9000   0.00   0.09   0.00   0.00 
1 1 1   10    0   16 o   43.557   0.3100   53.252  179.800  -0.18   0.00   0.00   0.00 
1 1 1   10    0   17 o   21.078   0.2647   19.391 -90.7000   0.00   0.05   0.00   0.00 
1 1 1   10    0   18 o   25.564   0.2556   39.555   0.0000   0.12   0.00   0.00   0.00 
1 1 1   10    0   19 o   52.693   0.3675   27.947   89.700  -0.00  -1.14   0.00   0.00 
1 1 1   10    0   20 o   16.568   0.2585   21.500  178.400   0.15   0.00   0.00   0.00 
1 1 1   10    0   21 o   24.376   0.2558   19.868   91.400   0.00   0.56   0.00   0.00 
1 1 1   10    0   22 o   18.523   0.2530   13.328   0.2000  -0.11   0.00   0.00   0.00 
1 1 1   10    0   23 o   40.340   0.3075   36.346 -89.9000  -0.00  -0.07   0.00   0.00 
1 1 1   10    0   24 o   35.624   0.2910   31.571 -179.8000   0.14   0.00   0.00   0.00 
1 1 1   10    0   25 o   7.6616   0.4025   12.856 -90.2000  -0.00  -0.30   0.00   0.00 
1 1 1   10    0   26 o   6.5651   0.4681   10.512   0.2000   0.16   0.00   0.00   0.00 
1 1 1   10    0   27 o   0.0000   2.6268   3.9831   89.700   0.00   0.01   0.00   0.00 
1 1 1   10    0   28 o   4.0000   0.7027   5.0091   0.2000  -0.01   0.00   0.00   0.00 
1 1 1   10    0   29 o   15.764   0.2927   12.070   89.500   0.00   0.18   0.00   0.00 
1 1 1   10    0   30 f   17.610   0.2877   13.743 -179.8000  -0.68   0.00   0.00   0.00 
1 1 1   10    0   31 o   35.744   0.3216   29.036 -90.1000  -0.00  -0.38   0.00   0.00 
1 1 1   10    0   32 o   21.333   0.3164   17.121  -0.1000   0.57   0.00   0.00   0.00 
1 1 1   10    0   33 o   23.588   0.3076   20.492   89.800  -0.00  -0.67   0.00   0.00 
1 1 1   10    0   34 o   11.559   0.4534   12.224  -0.6000   0.23   0.00   0.00   0.00 
1 1 1   10    0   35 o   18.778   0.3758   15.596 -90.3000   0.00   0.85   0.00   0.00 
1 1 1   10    1    0 o   13.791   0.2107   0.4576   12.500  -0.05   0.00   0.00   0.00 
1 1 1   10    1    1 o   17.761   2.3697   18.683 -77.2000  -0.79 -19.44   2.22  -0.20 
1 1 1   10    1    2 o   53.600   0.2446   47.981 -124.7000  -2.53   0.93  -9.33   2.99 
1 1 1   10    1    3 o   39.036   1.1410   43.226   47.400 -11.48  23.10   9.18  13.10 
1 1 1   10    1    4 f   26.570   1.5403   20.066  168.500 -14.67  10.05  -1.86   5.12 
1 1 1   10    1    5 f   31.484   2.3710   28.192  132.900 -12.25  43.81  16.70   9.49 
1 1 1   10    1    6 o   75.614   0.3336   87.369 -90.3000   3.09  -0.51  -1.10   0.08 
1 1 1   10    1    7 o   41.954   1.0439   37.931 -77.1000  -1.17  -5.03   1.35  -0.84 
1 1 1   10    1    8 o   74.284   1.5132   78.297 -108.5000 -12.77  -2.86  -3.05  -1.86 
1 1 1   10    1    9 f   89.439   2.2856   64.092   55.900   1.05  21.84   6.83   0.10 
1 1 1   10    1   10 o   28.890   1.5169   26.904 -84.2000 -21.55  -2.92  -5.08  -1.51 
1 1 1   10    1   11 o   28.628   1.0850   31.795 -91.7000  -4.05  -4.51   0.10  -0.77 
1 1 1   10    1   12 o   23.436   0.7087   26.670 -49.7000  -7.84  -6.63  -1.50  -6.70 
1 1 1   10    1   13 o   42.418   0.2573   37.391  143.400  -1.21   2.22   1.05   1.10 
1 1 1   10    1   14 o   30.186   0.9144   31.532 -62.1000  -1.89  -2.85   0.39  -0.76 
1 1 1   10    1   15 o   39.621   0.5595   39.205 -15.9000   1.00   0.48  -0.09  -0.17 
1 1 1   10    1   16 o   12.787   0.7360   8.8469  125.200  -5.60   2.21  -2.31   1.96 
1 1 1   10    1   17 o   49.406   1.5933   58.608 -28.5000  -1.18 -56.44  30.42  -2.74 
1 1 1   10    1   18 o   18.341   0.1715   15.628   99.800  -0.59  -0.46  -1.96  -2.07 
1 1 1   10    1   19 o   55.540   2.4424   40.888  156.600 -24.91  73.36  21.78  15.05 
1 1 1   10    1   20 o   36.490   0.2073   41.762 -88.0000   1.41  -0.71  -0.28   0.79 
1 1 1   10    1   21 o   33.808   0.2004   36.603 -157.0000   0.02   0.45   0.30   0.66 
1 1 1   10    1   22 o   32.359   0.2593   28.805 -77.7000  -0.32  -1.20   0.11  -0.09 
1 1 1   10    1   23 o   7.8946   1.1822   9.7737 -109.4000   0.60 -22.06   8.17   0.25 
1 1 1   10    1   24 o   19.843   0.4489   26.721   79.000  -0.80   1.41   0.15   0.43 
1 1 1   10    1   25 o   22.727   0.5896   15.689   12.500   3.43  10.19   2.29  -2.15 
1 1 1   10    1   26 o   13.768   0.2080   17.398   90.900   0.07   0.20   0.12   0.01 
1 1 1   10    1   27 o   4.5747   0.8433   7.6186  131.900   0.70   3.90   1.06  -0.47 
1 1 1   10    1   28 o   14.830   0.5201   12.474 -33.4000   6.26   0.79  -3.31  -1.40 
1 1 1   10    1   29 o   6.4085   0.7641   3.9306  146.000  -0.17   1.55   0.16   0.06 
1 1 1   10    1   30 o   9.9678   0.2978   10.544  113.800   0.75   2.60   0.76  -0.73 
1 1 1   10    1   31 o   20.850   0.2503   15.679 -172.2000   0.07   0.80   0.12   1.57 
1 1 1   10    1   32 o   15.801   0.4280   15.250  147.200  -2.20   0.25  -0.52  -0.01 
1 1 1   10    1   33 o   31.212   0.2229   24.588  176.700  -1.73  -0.78   2.84  -0.61 
1 1 1   10    1   34 o   9.4598   0.3776   4.4890 -14.7000  -1.06  -1.40  -0.13  -0.84 
1 1 1   10    1   35 o   19.222   0.3227   11.495   40.400   3.08   0.36  -1.06   0.39 
1 1 1   10    2    0 o   69.762   0.4394   59.574  -0.2000  -0.05   0.00   0.00   0.00 
1 1 1   10    2    1 f   54.412   0.3340   32.528 -95.6000  -1.44  -0.12  -0.52  -0.18 
1 1 1   10    2    2 o   47.722   0.2315   42.436  144.800  -0.78  -0.21  -0.38  -0.11 
1 1 1   10    2    3 o   35.979   0.3734   33.236   6.7000   1.69   1.08  -0.20  -0.55 
1 1 1   10    2    4 o   24.765   0.6194   8.6587   14.900  -5.86   2.58  -2.88   2.87 
1 1 1   10    2    5 o   34.859   0.7537   23.374 -62.6000  -2.82  -2.44  -0.40  -1.55 
1 1 1   10    2    6 o   14.877   1.2340   31.894 -90.3000  -0.76  -4.22   0.53  -0.21 
1 1 1   10    2    7 o   13.025   0.1314   6.4742 -117.9000  -0.50  -0.28  -0.18  -0.39 
1 1 1   10    2    8 o   49.396   0.2444   44.983  123.800  -0.03   0.23   0.08  -0.03 
1 1 1   10    2    9 o   19.915   0.8061   29.163   88.500  -8.87  -0.23  -2.63  -0.19 
1 1 1   10    2   10 f   32.385   0.4309   52.365  116.500  13.79   0.75 -12.01  -0.69 
1 1 1   10    2   11 o   33.798   0.9436   23.223 -46.5000  15.88   0.73  -9.92  -1.34 
1 1 1   10    2   12 o   31.784   0.2570   34.207 -23.1000  -0.08  -0.16   0.04  -0.03 
1 1 1   10    2   13 f   58.829   0.7116   63.732   38.800   2.45   1.80  -0.16  -0.35 
1 1 1   10    2   14 o   20.494   0.3801   15.036   91.900   0.52  -0.79   0.10   0.47 
1 1 1   10    2   15 o   31.896   0.3275   22.698  154.100  -1.04   1.41   0.03   1.51 
1 1 1   10    2   16 o   64.528   1.1134   60.419  150.900 -10.46   0.06  -2.26  -0.20 
1 1 1   10    2   17 o   24.406   1.1427   20.550   2.2000  13.91   4.62  -2.46  -1.74 
1 1 1   10    2   18 o   24.868   0.4316   36.090 -32.2000  -0.73  -0.95   0.07  -0.17 
1 1 1   10    2   19 o   61.809   0.8494   50.644   73.200  23.81  -9.33 -19.38  12.80 
1 1 1   10    2   20 o   15.300   0.3589   7.9441 -123.3000   0.95  -3.30   1.49   0.79 
1 1 1   10    2   21 o   12.205   1.5827   14.835  103.000 -40.84   4.33 -15.08   2.91 
1 1 1   10    2   22 o   19.423   1.3064   30.045 -56.6000  15.03  -9.40  -2.03   3.77 
1 1 1   10    2   23 f   45.614   0.5226   41.077 -77.4000  -1.76  -1.98   0.75  -1.17 
1 1 1   10    2   24 o   31.945   1.1653   27.332 -160.2000 -18.55 -14.55  -1.13  -8.01 
1 1 1   10    2   25 o   19.140   1.9077   26.229  179.800 -42.95  20.08  -5.71   7.32 
1 1 1   10    2   26 f   23.412   0.5446   20.602  110.900   3.38   5.00   1.61  -2.37 
1 1 1   10    2   27 o   11.011   0.9401   15.762   73.600 -10.49   5.33  -1.78   2.19 
1 1 1   10    2   28 o   40.666   0.3013   41.112 -70.9000  -0.22  -1.48  -3.77  -1.53 
1 1 1   10    2   29 o   9.9962   0.8671   9.8755 -156.2000  -6.14   0.41  -1.52   0.02 
1 1 1   10    2   30 o   8.9247   0.7504   9.8006 -144.6000  -1.60  -3.78   0.70  -0.58 
1 1 1   10    2   31 o   31.853   0.8916   32.124 -116.0000   0.01  -4.21   0.68   0.25 
1 1 1   10    2   32 o   9.0812   0.8813   11.573 -68.1000   2.36  -6.51   1.09   0.75 
1 1 1   10    2   33 o   12.762   0.7010   13.178   58.000   6.48  -0.49  -2.38  -0.13 
1 1 1   10    2   34 f   17.470   0.7982   16.222 -122.0000   1.14  -5.82   0.83   0.18 
1 1 1   10    2   35 o   12.744   0.4128   11.327 -116.4000   3.61  -0.61  -1.41   1.54 
1 1 1   10    3    0 o   25.231   0.3209   22.830  -0.2000  -0.17   0.00   0.00   0.00 
1 1 1   10    3    1 o   6.5069   1.5760   25.742 -155.0000 -15.94   3.46  -3.88   1.79 
1 1 1   10    3    2 o   26.821   0.8914   14.818 -120.0000   8.16 -10.46   2.08   7.26 
1 1 1   10    3    3 o   62.401   1.6858   69.203   32.400  26.20 -12.59  -6.24   8.58 
1 1 1   10    3    4 o   41.812   0.8043   28.975 -117.3000  -4.42   1.89  -1.41   1.91 
1 1 1   10    3    5 o   43.531   1.6305   44.489  166.200 -10.98  11.50   0.50   4.82 
1 1 1   10    3    6 o   28.534   0.6070   36.673 -105.0000   0.39  -1.41   0.27   0.13 
1 1 1   10    3    7 f   58.386   0.7764   30.778 -91.5000   1.14  -1.39  -0.00   0.37 
1 1 1   10    3    8 o   79.139   1.2232   77.733 -110.5000   2.19  -8.31   2.30   1.86 
1 1 1   10    3    9 o  122.663   0.9656  114.356   94.800  -1.17   0.67  -0.21   0.14 
1 1 1   10    3   10 o   28.772   0.5512   55.224 -129.8000  -6.39  -1.30  -1.97  -0.75 
1 1 1   10    3   11 f   65.039   0.5687   66.439 -76.2000  -0.79  -2.01   1.13  -0.61 
1 1 1   10    3   12 f   23.479   2.0055   21.587 -18.8000  15.06  22.42   3.31  -7.62 
1 1 1   10    3   13 o   50.792   0.4859   48.315  159.900  -2.41   3.13   0.68   1.52 
1 1 1   10    3   14 f   35.336   2.5900   46.624 -128.5000 -15.47 -32.40   6.78  -7.72 
1 1 1   10    3   15 o   29.153   0.2351   41.456 -174.9000  -0.16  -0.31   0.67  -0.05 
1 1 1   10    3   16 o   33.844   0.7864   35.334  137.400   1.75   8.91   3.52  -1.17 
1 1 1   10    3   17 o   93.580   0.9906   82.522 -10.9000   5.60  -6.71   1.65   3.52 
1 1 1   10    3   18 o   17.281   1.3289   14.434 -104.8000 -22.85 -13.14  -4.31  -7.03 
1 1 1   10    3   19 o   29.796   0.2190   25.794  -9.4000   0.52  -5.32   6.74   2.69 
1 1 1   10    3   20 o   32.920   1.1069   34.574 -148.4000 -26.51  -3.46  -7.45  -2.35 
1 1 1   10    3   21 f   33.446   0.8596   36.301 -137.9000  -5.07  -3.35  -0.41  -1.42 
1 1 1   10    3   22 o   39.868   0.2172   31.574 -103.7000  -2.71   0.84  -0.95   1.50 
1 1 1   10    3   23 o   38.484   0.3813   25.144 -51.6000  -2.28  -4.93   0.93  -1.74 
1 1 1   10    3   24 o   26.395   0.9452   20.559   75.600   1.56   6.80   1.24  -0.44 
1 1 1   10    3   25 o   14.955   0.6530   14.361   72.200   4.13   1.78  -0.40  -0.37 
1 1 1   10    3   26 o   12.943   0.5530   13.253   60.800   6.32   0.71  -2.03  -0.25 
1 1 1   10    3   27 o   9.4850   0.2626   10.559  109.100   0.68   1.55   0.45  -0.73 
1 1 1   10    3   28 o   19.887   0.6702   18.492 -51.6000   6.36  -7.76   1.09   2.73 
1 1 1   10    3   29 o   5.2658   0.4956   2.7223 -147.0000   0.88   1.67   0.86  -0.81 
1 1 1   10    3   30 o   6.5964   0.4170   3.9532  167.100  -0.28   0.82   0.84   0.16 
1 1 1   10    3   31 o   8.0867   0.3441   6.3957   15.600  -0.15   0.40  -0.32   0.79 
1 1 1   10    3   32 o   16.052   0.4825   14.560  145.900   0.52   2.23   0.34  -0.09 
1 1 1   10    3   33 o   12.712   0.2816   10.557 -126.1000  -0.28  -0.20  -0.25   0.03 
1 1 1   10    3   34 f   8.2737   0.4284   6.8217   13.600  -0.19   1.59   0.72   0.62 
1 1 1   10    3   35 o   16.041   0.3326   13.616   89.400  -0.07   2.12   0.38   0.23 
1 1 1   10    4    0 o   46.741   0.3630   22.873   1.2000  -0.03   0.00   0.00   0.00 
1 1 1   10    4    1 o   32.971   0.5339   22.413 -124.4000  -3.50   0.58  -1.28   0.53 
1 1 1   10    4    2 o   34.389   1.6666   52.768   82.800   2.99  13.11   3.14  -1.35 
1 1 1   10    4    3 o   25.490   0.5410   34.263   8.9000   1.57  -3.34   1.12   1.63 
1 1 1   10    4    4 o   34.744   3.1891   20.533 -160.8000 -20.99 -26.69   1.39  -5.22 
1 1 1   10    4    5 o   44.320   0.2145   40.794  106.600   0.05   0.07  -0.10   0.01 
1 1 1   10    4    6 o   59.419   1.1192   43.850 -27.9000   9.84   2.30  -4.13  -2.75 
1 1 1   10    4    7 o   36.517   0.6517   34.162 -103.1000  -7.00   1.25  -4.86   2.45 
1 1 1   10    4    8 o   51.691   0.8703   39.840  131.200   3.71  10.74   4.72  -3.19 
1 1 1   10    4    9 o   68.927   0.3862   61.980   77.100  -1.48   0.78  -3.40   1.35 
1 1 1   10    4   10 o   21.984   1.5101   17.821  107.800  27.40  22.85  -2.00 -10.22 
1 1 1   10    4   11 f   17.894   0.6451   14.947 -171.7000   0.87  -0.31  -0.09   0.07 
1 1 1   10    4   12 o   26.853   0.2407   36.732 -75.2000  -0.47  -0.29  -1.98  -0.93 
1 1 1   10    4   13 o   36.904   2.0042   32.527   83.100  -5.15  15.05   2.07   1.49 
1 1 1   10    4   14 o   51.933   0.3342   45.813   61.600   1.74  -0.83  -2.28   0.75 
1 1 1   10    4   15 o   39.579   1.6527   52.383   89.800  -4.97  10.46   1.36   1.92 
1 1 1   10    4   16 o   42.243   0.2484   52.710   60.800   6.19  -3.23  -5.68  14.96 
1 1 1   10    4   17 o   48.507   0.2354   41.349 -28.0000   1.31   2.81   1.74  -4.89 
1 1 1   10    4   18 o   20.689   1.7156   22.579 -108.2000   8.20 -44.39  13.17   5.36 
1 1 1   10    4   19 o   53.498   0.6465   49.221   85.700  -5.88   1.79  -1.51   1.49 
1 1 1   10    4   20 o   19.167   0.1696   17.004 -40.5000   0.82   0.31  -0.72  -1.33 
1 1 1   10    4   21 o   17.128   2.2704   13.435 -92.2000  38.76 -59.75   7.96  17.01 
1 1 1   10    4   22 o   13.918   0.8707   9.4933   32.200   3.93  11.42   3.38  -2.38 
1 1 1   10    4   23 o   43.700   0.2323   26.655 -91.7000   1.67   1.11  -0.28  -0.33 
1 1 1   10    4   24 o   32.116   0.6890   25.776  106.600  17.02  21.38   1.43 -12.21 
1 1 1   10    4   25 o   17.466   0.4332   23.946 -167.7000   1.36   7.05   2.01  -1.06 
1 1 1   10    4   26 o   26.564   0.1978   30.373  142.400   0.18  -0.34   0.29  -0.14 
1 1 1   10    4   27 o   27.135   1.1744   25.577  102.100  -2.46  21.73   4.98   1.63 
1 1 1   10    4   28 o   16.461   0.5680   16.608 -47.4000   3.37  -2.25  -1.08   1.31 
1 1 1   10    4   29 o   11.281   0.7263   10.848 -71.2000   1.52  -4.60   0.58   0.35 
1 1 1   10    4   30 f   7.1707   0.7008   9.4708   18.500   3.69  -0.80  -0.62   0.36 
1 1 1   10    4   31 o   9.0831   0.3329   13.172 -142.3000  -1.25  -2.00   1.43  -1.36 
1 1 1   10    4   32 o   10.156   0.6308   6.3676  175.200  -2.98  -3.50   0.24  -0.83 
1 1 1   10    4   33 o   16.872   0.5401   12.611  -4.6000   3.30   4.36   0.87  -1.48 
1 1 1   10    4   34 o   24.024   0.6367   17.094 -130.4000  -2.48  -1.11  -0.29  -0.16 
1 1 1   10    4   35 o   0.0000   2.2727  ?   ?   -0.03   0.08  -0.03   0.11 
1 1 1   10    5    0 o   63.752   0.3960   75.847  -0.1000  -0.40   0.00   0.00   0.00 
1 1 1   10    5    1 o   28.983   1.0958   23.561 -152.0000  -9.78   8.95  -0.23   5.55 
1 1 1   10    5    2 o   27.148   1.0463   25.351  177.000   5.06   9.30   3.29  -4.48 
1 1 1   10    5    3 f   68.854   1.8668   64.788   41.700  19.92   3.38  -4.94  -1.31 
1 1 1   10    5    4 o   25.178   0.6335   34.061  -7.0000   2.46   3.21   0.70  -1.93 
1 1 1   10    5    5 o   30.288   0.1876   14.769 -128.0000  -0.21  -0.67   0.23  -0.26 
1 1 1   10    5    6 f   21.974   2.3079   10.552  171.800 -26.17  13.63  -4.31   5.93 
1 1 1   10    5    7 o   26.519   1.5934   49.133  139.500 -32.73  17.40  -4.83   7.35 
1 1 1   10    5    8 o   80.636   2.8539   72.543 -83.7000   7.42 -55.85  13.58   4.26 
1 1 1   10    5    9 o   41.295   0.2435   41.765  102.500   1.56   0.65  -8.60  -2.76 
1 1 1   10    5   10 o   50.346   0.2815   49.773 -148.3000  -0.08  -9.21  11.14  -1.62 
1 1 1   10    5   11 o   23.901   0.3659   32.498 -103.6000   0.79  -0.21  -0.24   0.10 
1 1 1   10    5   12 o   21.527   1.2025   25.778 -69.8000   3.55  -8.42   1.80   1.72 
1 1 1   10    5   13 o   58.040   0.4377   60.033 -138.8000  -0.26  -0.48   0.01  -0.06 
1 1 1   10    5   14 o   24.013   3.1774   36.848 -150.1000 -17.33 -59.40  15.45  -9.39 
1 1 1   10    5   15 o   41.556   0.2592   39.672  143.300   0.38   0.84   0.25  -1.04 
1 1 1   10    5   16 o   12.654   1.5080   2.2745   53.200  29.51  18.47  -4.86 -10.29 
1 1 1   10    5   17 o   34.856   0.3425   45.538  -1.2000  -0.32  -0.80   0.27  -0.14 
1 1 1   10    5   18 o   16.784   0.8407   25.229 -123.5000  -6.19  -7.12   0.24  -2.19 
1 1 1   10    5   19 o   35.111   0.6873   35.774 -45.5000   9.78  -4.10  -1.89   2.24 
1 1 1   10    5   20 o   34.264   0.9450   26.455  105.100  20.81  11.95  -7.82 -10.82 
1 1 1   10    5   21 o   13.107   0.3578   20.032 -130.0000   1.22  -0.05  -0.40  -0.02 
1 1 1   10    5   22 o   40.059   0.2196   38.003 -124.3000  -4.70   3.24   0.70   8.41 
1 1 1   10    5   23 o   29.483   0.2222   21.001 -71.6000  -1.77  -2.17  -0.02  -0.70 
1 1 1   10    5   24 o   28.709   1.3979   35.661   81.300   9.98  24.56   6.48  -5.28 
1 1 1   10    5   25 o   18.766   0.1926   11.377 -10.8000   0.07  -0.10   0.06   0.00 
1 1 1   10    5   26 o   17.110   0.5154   13.637 -34.6000   1.01  -7.40   4.47   2.13 
1 1 1   10    5   27 o   12.201   0.4678   11.283 -148.6000  -0.13  -0.32   0.01  -0.00 
1 1 1   10    5   28 o   28.923   0.4634   27.641 -56.7000   0.64  -2.04   0.35   0.06 
1 1 1   10    5   29 o   9.0696   0.7179   3.6310  163.100  -5.75  -2.42  -1.24  -1.03 
1 1 1   10    5   30 o   9.1014   0.3273   7.2459 -117.0000  -0.36  -0.03   0.91   1.32 
1 1 1   10    5   31 f   8.8914   0.7129   4.4756   75.600   0.66   3.49   0.56  -0.32 
1 1 1   10    5   32 o   29.392   0.3824   25.968   79.900   1.11   1.99   0.33  -0.23 
1 1 1   10    5   33 o   10.732   0.8368   13.140 -71.0000  -1.05  -2.49   0.16  -0.22 
1 1 1   10    5   34 o   11.032   0.3207   10.531   43.400   1.00  -0.34  -0.00   1.15 
1 1 1   10    6    0 o   9.5131   0.2856   25.127  -0.6000  -0.03   0.00   0.00   0.00 
1 1 1   10    6    1 o   40.264   0.6460   42.423   36.000   0.43   1.55   0.51  -0.20 
1 1 1   10    6    2 o   32.684   1.6741   31.915 -65.0000  -3.48 -13.92   2.41  -1.40 
1 1 1   10    6    3 o   36.745   0.1859   39.166 -55.9000   0.35   0.19  -0.38  -0.18 
1 1 1   10    6    4 o   94.115   1.7640   80.179  175.500  -9.25 -14.93   4.06  -5.73 
1 1 1   10    6    5 o   32.590   1.4545   36.312  107.600  -7.54   8.90   0.39   3.28 
1 1 1   10    6    6 o   62.461   2.1761   58.695 -31.6000  44.07  -2.77 -12.59   1.15 
1 1 1   10    6    7 o   44.053   0.2806   30.692 -109.1000  -5.02   3.48  -0.88   3.10 
1 1 1   10    6    8 o   36.941   0.2005   23.310  172.600   0.23   1.98   6.42   0.39 
1 1 1   10    6    9 o   64.566   0.2805   60.071   53.800   0.97  -0.49  -0.22   1.28 
1 1 1   10    6   10 o   15.035   0.6724   18.564 -12.5000   4.73   6.23   1.20  -5.06 
1 1 1   10    6   11 o   16.642   0.4447   27.286   71.000  -0.68   1.40   0.32   0.49 
1 1 1   10    6   12 o   38.213   0.4662   28.978 -50.0000  -2.56  -1.55  -1.38  -1.75 
1 1 1   10    6   13 o   20.232   0.4494   21.163 -164.3000  -1.54   2.88   1.21   1.43 
1 1 1   10    6   14 o   32.008   2.5255   15.930 -160.2000 -36.55  -1.82  -8.07  -0.54 
1 1 1   10    6   15 o   23.491   2.3585   23.370   40.000  -3.10  75.35  21.37   2.06 
1 1 1   10    6   16 o   83.586   1.5808   91.363   31.300  27.08 -16.19  -5.98  15.68 
1 1 1   10    6   17 o   44.807   0.4601   31.493 -25.3000   0.50  -2.55   1.79   1.66 
1 1 1   10    6   18 o   28.574   0.2660   36.733 -122.2000  -7.81  10.75   8.85  18.46 
1 1 1   10    6   19 o   11.629   0.6946   25.417   81.000   4.00   7.66   0.99  -1.49 
1 1 1   10    6   20 o   32.236   1.0692   35.106  -0.1000  14.11   5.57  -4.34  -4.99 
1 1 1   10    6   21 o   20.404   1.3258   22.789 -93.3000  -1.50 -19.75   3.55  -0.67 
1 1 1   10    6   22 o   19.045   1.5442   16.405  109.600 -19.56  27.91   3.12   9.72 
1 1 1   10    6   23 o   33.761   0.5772   24.180 -76.7000   5.91  -3.66  -5.21   4.91 
1 1 1   10    6   24 o   30.430   0.2487   28.961   22.800  -0.59   0.72   2.22  -0.70 
1 1 1   10    6   25 f   6.1253   0.3801   4.4385 -133.5000  -1.01  -1.10   0.55  -1.60 
1 1 1   10    6   26 o   8.4214   0.3055   15.660  166.200   0.36   0.50   0.73  -0.61 
1 1 1   10    6   27 o   16.831   0.8765   11.341  104.500   4.02   9.51   1.96  -1.69 
1 1 1   10    6   28 o   4.2164   0.5523   6.9335   72.200   0.29  -0.46  -0.07   0.55 
1 1 1   10    6   29 o   13.475   0.6378   14.439 -97.4000  -4.88  -3.63  -0.53  -1.21 
1 1 1   10    6   30 f   9.7447   0.7299   13.971   0.6000   6.62  -3.77  -0.80   1.72 
1 1 1   10    6   31 o   20.703   0.2199   21.943  169.900  -1.00   3.79   8.24  -3.36 
1 1 1   10    6   32 o   22.429   0.7263   18.813  164.300  -8.99  -4.83  -1.20  -2.91 
1 1 1   10    6   33 o   21.330   0.4110   18.885 -20.9000   1.25  -4.05   1.21   0.27 
1 1 1   10    6   34 o   0.0000   2.2320  ?   ?    0.44  -0.31  -0.03   0.05 
1 1 1   10    7    0 o   18.966   0.2780   15.831  -0.3000  -0.04   0.00   0.00   0.00 
1 1 1   10    7    1 o   19.515   1.1067   12.971 -13.3000  -0.77  -7.22   1.78  -0.32 
1 1 1   10    7    2 o   43.065   0.6220   30.203  179.400  -2.12  -0.98  -0.33  -0.30 
1 1 1   10    7    3 o   33.804   1.5115   28.255   1.6000  12.84  -1.14  -2.96   0.66 
1 1 1   10    7    4 o   47.531   1.2977   18.385   31.000  -2.31   5.97   0.49   0.48 
1 1 1   10    7    5 o   24.258   2.0078   23.985 -86.2000  11.80 -48.69  10.08   5.07 
1 1 1   10    7    6 o   7.0710   1.6923   19.673   72.700 -17.49  17.60   0.01   6.38 
1 1 1   10    7    7 o   11.846   0.6632   3.3928 -93.8000 -22.33   1.00 -21.17   2.23 
1 1 1   10    7    8 o   80.215   3.4108   79.034 -95.5000  23.48 -83.78  21.03  13.84 
1 1 1   10    7    9 o   60.396   1.6817   72.054   56.600  33.59  -5.06 -13.40   5.11 
1 1 1   10    7   10 o   39.819   1.0728   29.489  164.500   3.86  16.97  10.31  -4.08 
1 1 1   10    7   11 o   38.444   0.2381   38.629 -86.2000  -0.18  -0.44  -2.92  -2.36 
1 1 1   10    7   12 f   33.189   0.1948   24.374 -160.6000   0.18   0.31   0.15   2.60 
1 1 1   10    7   13 o   34.479   0.7268   36.891 -140.1000  -1.28  -4.63   1.17  -0.89 
1 1 1   10    7   14 o   19.433   1.3772   23.258  142.100  12.99  44.65  15.26 -10.07 
1 1 1   10    7   15 o   35.297   0.1992   29.812   97.500   0.30   0.21  -2.21   1.06 
1 1 1   10    7   16 o   53.229   1.1723   48.257  -6.3000   7.98   9.07   1.46  -5.27 
1 1 1   10    7   17 o   31.704   1.6193   18.967   34.400  33.12   2.83  -9.25  -1.96 
1 1 1   10    7   18 o   18.164   0.2798   7.8006 -116.6000  -3.50   4.60   1.03   6.24 
1 1 1   10    7   19 o   17.737   0.5434   18.631   9.4000   1.57  -5.24   0.94   0.56 
1 1 1   10    7   20 f   31.454   0.7764   17.635   95.400   6.57   9.01   0.66  -3.00 
1 1 1   10    7   21 o   14.546   0.3753   12.955  103.500  -5.81  -0.75  -2.88  -0.47 
1 1 1   10    7   22 o   18.747   0.9600   28.058 -114.6000  11.66 -19.79   5.25  11.47 
1 1 1   10    7   23 o   5.8297   0.4219   7.9610   74.200  -2.23  -0.30  -1.15  -0.45 
1 1 1   10    7   24 o   27.369   1.8549   23.060   75.800 -18.12  52.75  14.59  12.95 
1 1 1   10    7   25 o   5.3874   1.7714   5.3277 -43.5000   2.78  -6.61   0.82   0.88 
1 1 1   10    7   26 o   10.558   1.3284   9.3324 -84.6000  -2.89 -25.33   6.66  -1.27 
1 1 1   10    7   27 o   6.8945   0.4591   4.2578 -78.4000   0.46  -1.92   0.52   0.16 
1 1 1   10    7   28 o   28.097   0.3250   23.684 -48.8000  -0.47  -1.26   0.05  -0.09 
1 1 1   10    7   29 f   12.573   0.2405   12.976  160.800  -0.24  -1.19   0.79   0.05 
1 1 1   10    7   30 f   17.559   0.2338   15.399  150.000  -0.17   0.70   0.42  -0.27 
1 1 1   10    7   31 o   12.401   0.4556   12.636 -106.2000  -1.09  -2.23   0.41  -0.35 
1 1 1   10    7   32 o   17.883   0.3449   11.832   81.700   0.72   0.21  -0.05  -0.08 
1 1 1   10    7   33 o   5.0163   1.0351   4.9585 -165.9000  -1.34   0.03  -0.12  -0.01 
1 1 1   10    7   34 o   2.7758   1.0134   3.1372   35.000  -0.41   0.03  -0.08   0.06 
1 1 1   10    8    0 o   24.811   0.2395   21.409 -178.5000  -0.14   0.00   0.00   0.00 
1 1 1   10    8    1 o   0.0000   1.8019  ?   ?    0.14  -0.05  -0.04   0.04 
1 1 1   10    8    2 o   19.886   0.1741   19.437 -102.1000   1.63   1.84   1.34  -5.44 
1 1 1   10    8    3 o   24.250   0.9548   10.927  153.700 -18.66  -1.34  -7.12  -1.19 
1 1 1   10    8    4 f   48.901   0.8882   54.730   49.100  15.22  -4.93  -6.49   5.31 
1 1 1   10    8    5 o   38.391   1.2427   49.123 -113.4000 -14.02 -13.47  -0.27  -4.10 
1 1 1   10    8    6 o   27.278   0.8594   24.782   77.800  -9.81   5.39  -2.14   3.61 
1 1 1   10    8    7 o   10.070   1.4445   14.527 -125.9000 -11.02 -12.29   0.58  -4.77 
1 1 1   10    8    8 o   31.898   0.9125   33.829 -34.0000   0.17  -2.98   0.53   0.02 
1 1 1   10    8    9 o   13.894   1.0065   8.0280 -42.9000  -4.98  -7.28   0.98  -2.71 
1 1 1   10    8   10 o   32.662   1.8936   14.029 -142.6000 -19.42  -0.58  -4.19  -0.39 
1 1 1   10    8   11 o   42.292   0.9830   32.130   77.900  -2.08   5.01   0.83   1.05 
1 1 1   10    8   12 o   17.873   0.3160   13.989 -96.9000  -0.29  -1.65   1.06  -0.22 
1 1 1   10    8   13 o   27.798   0.5197   31.538 -178.1000  -1.33  14.50  14.23   1.61 
1 1 1   10    8   14 o   37.490   0.5031   30.620 -110.0000 -13.70   4.05  -7.98   6.17 
1 1 1   10    8   15 o   24.559   1.9551   12.348  -1.1000  -2.56 -40.35   7.13  -1.06 
1 1 1   10    8   16 f   29.203   0.7317   36.343   55.300  30.16  -5.83 -19.44   9.14 
1 1 1   10    8   17 f   5.5225   0.3786   4.3872   94.300   4.19  -1.16  -3.58   1.91 
1 1 1   10    8   18 o   36.804   0.2070   37.860 -130.0000  -1.45   0.46  -1.01   3.45 
1 1 1   10    8   19 o   13.226   1.2458   19.371   91.300   2.20  11.85   1.59  -0.66 
1 1 1   10    8   20 o   8.8608   0.3324   14.106  -1.6000   3.85   0.06  -4.39  -0.66 
1 1 1   10    8   21 o   13.319   0.2175   17.715 -178.3000  -0.13   0.05  -0.10  -0.00 
1 1 1   10    8   22 o   15.939   0.8514   20.528 -175.2000 -16.46  -0.81  -7.72  -1.35 
1 1 1   10    8   23 o   23.973   0.2202   29.332 -89.7000   1.89  -0.78  -8.53  -2.61 
1 1 1   10    8   24 o   35.274   0.4060   26.387   33.900  -0.56  -0.18  -0.14   0.62 
1 1 1   10    8   25 o   12.753   0.3200   10.061   86.100   4.95   2.86  -2.55  -3.13 
1 1 1   10    8   26 o   4.3865   1.0820   3.4471 -92.6000   0.97   1.32   0.05  -0.13 
1 1 1   10    8   27 o   10.673   0.2709   13.952   39.300  -0.20  -0.33   0.16  -0.06 
1 1 1   10    8   28 o   10.061   0.4473   8.6138 -55.6000   1.44   0.24  -0.27  -0.16 
1 1 1   10    8   29 o   6.9101   0.6023   8.5247 -101.0000  -4.06  -2.34  -0.84  -1.13 
1 1 1   10    8   30 o   19.962   0.2761   17.790   14.100  -0.03   2.64   1.76   1.41 
1 1 1   10    8   31 o   10.414   0.3268   11.834 -156.5000  -0.37   0.54   1.02   0.13 
1 1 1   10    8   32 o   7.9296   0.4005   7.9794 -148.9000   0.23  -0.17   0.07   0.11 
1 1 1   10    8   33 o   13.101   0.8155   12.007 -10.7000   6.44  -7.57   0.81   2.40 
1 1 1   10    8   34 o   12.387   0.3479   13.442  -0.9000   1.76  -0.37  -0.87  -0.30 
1 1 1   10    9    0 o   27.399   0.2460   32.338  179.800  -0.02   0.00   0.00   0.00 
1 1 1   10    9    1 o   17.041   1.3787   29.066  133.700 -15.08  21.84   2.51   6.43 
1 1 1   10    9    2 f   37.218   0.2036   37.262   7.4000  -0.97  -0.86   0.38  -2.31 
1 1 1   10    9    3 o   18.102   0.3180   10.105 -154.7000   1.27  -1.08  -0.05   0.24 
1 1 1   10    9    4 o   54.069   0.3093   47.645  142.500  -0.53   0.29   1.55   2.48 
1 1 1   10    9    5 o   13.026   0.3536   18.804 -109.4000   0.65  -2.57   2.77   1.23 
1 1 1   10    9    6 o   58.126   0.2718   72.241  -1.3000   0.50  -0.77   3.49  -0.34 
1 1 1   10    9    7 o   62.015   1.1788   52.777 -98.4000  12.72 -10.91  -1.16   4.82 
1 1 1   10    9    8 o   52.850   1.6451   54.481 -153.8000   1.01 -26.18   9.83   1.39 
1 1 1   10    9    9 o   44.650   1.1014   43.136   61.400  15.53   1.06  -9.90  -0.13 
1 1 1   10    9   10 o   28.308   0.5914   11.516  118.700   1.49   4.61   1.56  -0.90 
1 1 1   10    9   11 o   57.422   0.2734   60.930 -90.1000   1.97  -0.93  -8.62  -2.30 
1 1 1   10    9   12 o   18.303   0.2387   18.504  158.200  -0.35   2.53   1.87   0.73 
1 1 1   10    9   13 o   33.355   0.1942   27.541 -33.7000   0.28  -0.04  -0.45  -0.36 
1 1 1   10    9   14 o   33.760   1.4674   28.628 -107.2000   4.28 -27.32   9.25   3.37 
1 1 1   10    9   15 o   5.2109   0.7883   10.287   74.500  -9.02  -2.44  -5.32  -3.30 
1 1 1   10    9   16 o   10.366   0.6129   14.321   8.9000   3.29   7.10   1.86  -2.05 
1 1 1   10    9   17 o   19.570   1.0297   17.243   11.800  19.48  11.68  -2.67  -5.37 
1 1 1   10    9   18 o   30.779   1.3072   26.478 -46.2000  16.06 -15.14   0.02   5.28 
1 1 1   10    9   19 o   10.530   0.9571   13.265   47.400   8.18   6.34  -0.66  -2.28 
1 1 1   10    9   20 o   27.165   0.7232   20.817 -168.3000  -4.56  -1.80  -0.45  -0.35 
1 1 1   10    9   21 o   4.9785   0.4392   7.3911   80.200   0.64  -0.01  -0.08   0.01 
1 1 1   10    9   22 o   6.6351   1.1178   13.998 -114.4000   4.90  -6.55   0.42   1.64 
1 1 1   10    9   23 o   26.839   0.2006   22.135   62.400   1.14   0.19  -1.71   2.26 
1 1 1   10    9   24 o   18.255   1.8932   17.251 -34.7000  35.82 -64.81  11.13  16.32 
1 1 1   10    9   25 f   13.387   0.2351   18.142 -149.4000  -2.67   2.08   0.43   5.19 
1 1 1   10    9   26 o   4.8064   0.4825   9.7046 -17.6000  -0.20  -0.36   0.87   0.00 
1 1 1   10    9   27 o   7.5576   1.0278   4.3073   24.800   2.62 -10.71   3.17   1.34 
1 1 1   10    9   28 o   4.7603   0.5469   2.5477   14.200   0.98   0.69  -0.05  -0.37 
1 1 1   10    9   29 o   13.488   0.7423   10.247 -169.0000  -7.45 -10.24   1.89  -4.10 
1 1 1   10    9   30 o   12.769   0.7698   13.139  143.100  -4.58   3.49  -0.42   0.95 
1 1 1   10    9   31 o   9.0401   0.6684   12.410 -56.3000   1.13  -3.78   0.60   0.29 
1 1 1   10    9   32 f   9.6267   0.3817   8.3361 -72.6000   0.93  -0.73   0.11   0.42 
1 1 1   10    9   33 o   7.8700   0.4501   9.1303  109.000  -0.18  -0.12   0.08   0.16 
1 1 1   10   10    0 o   27.689   0.2594   48.308 -179.6000  -0.16   0.00   0.00   0.00 
1 1 1   10   10    1 o   54.040   0.9409   49.766 -153.3000  -7.71   2.03  -2.41   1.76 
1 1 1   10   10    2 o   29.470   0.3513   28.874 -71.8000  -0.73  -0.84  -0.10  -0.97 
1 1 1   10   10    3 o   73.372   0.6929   72.106  105.100  -7.15   0.42  -1.99  -0.07 
1 1 1   10   10    4 o   85.656   1.1692   78.891   12.900   4.76  -4.62   2.05   5.98 
1 1 1   10   10    5 o   93.717   0.4078   92.273 -79.2000   6.31  -1.97  -8.50   1.14 
1 1 1   10   10    6 o   46.197   2.1131   46.285  129.400  -1.76  26.45   6.79   0.60 
1 1 1   10   10    7 o   48.278   1.8833   25.696   2.6000  20.11  18.36  -1.61 -10.71 
1 1 1   10   10    8 o   26.930   0.5100   33.663  -3.9000   2.43  -2.19  -0.27   1.17 
1 1 1   10   10    9 o   29.018   0.8475   35.544 -90.8000  -6.96  -5.21  -1.75  -4.35 
1 1 1   10   10   10 o   36.213   1.1120   47.081   47.900 -12.73  17.62   2.63  10.46 
1 1 1   10   10   11 o   21.775   0.5917   22.015   91.600  -4.28   1.60  -0.70   0.55 
1 1 1   10   10   12 o   19.324   0.3479   21.944 -148.8000   1.41  -2.83   0.89   1.39 
1 1 1   10   10   13 o   16.736   0.9854   3.9727 -164.9000   0.21  28.90  15.38  -0.68 
1 1 1   10   10   14 o   9.4824   0.8285   2.5455 -119.1000   5.30   0.53  -0.92  -0.21 
1 1 1   10   10   15 o   21.591   0.3045   19.253 -94.7000   3.12  -2.01  -0.72   2.30 
1 1 1   10   10   16 o   14.181   1.8547   22.413  119.800 -77.08   7.26 -20.83   3.70 
1 1 1   10   10   17 o   31.756   0.6938   16.792   30.600   2.61   2.64   0.11  -0.72 
1 1 1   10   10   18 o   12.772   0.2195   11.236   45.800   0.62   0.20  -0.22  -0.24 
1 1 1   10   10   19 o   43.137   0.7319   28.028  110.300   9.96   8.73  -1.19  -3.98 
1 1 1   10   10   20 o   19.495   0.2939   18.018  137.400  -1.92  -0.16  -0.62   0.01 
1 1 1   10   10   21 o   27.472   0.5388   23.671 -125.6000  -7.93   1.66  -3.13   0.77 
1 1 1   10   10   22 o   4.8859   0.8825   8.6729  170.700  -4.49  -2.06  -0.82  -1.06 
1 1 1   10   10   23 o   18.757   0.5702   17.445 -84.9000  -9.64  -9.42  -1.06  -6.87 
1 1 1   10   10   24 o   13.853   0.7518   16.994  133.000   1.95   5.30   1.46  -0.96 
1 1 1   10   10   25 o   12.162   0.9496   11.336   31.000  13.31   2.68  -2.87  -1.00 
1 1 1   10   10   26 o   12.590   0.2515   10.460  171.100  -0.29  -0.18  -0.10   0.68 
1 1 1   10   10   27 f   14.692   0.2531   8.6000  129.400  -0.60   0.16  -0.14   0.01 
1 1 1   10   10   28 o   3.1997   1.0571   5.2743 -87.1000  -0.34  -0.82   0.09  -0.07 
1 1 1   10   10   29 o   3.9336   0.6737   4.6825 -110.0000  -0.48  -0.70   0.02  -0.24 
1 1 1   10   10   30 o   16.263   0.2381   12.950   94.500  -0.16  -0.33   0.15   0.01 
1 1 1   10   10   31 o   14.062   0.2658   18.231 -103.3000   0.38   0.05  -0.03  -0.02 
1 1 1   10   10   32 o   3.6014   0.9291   4.1818  104.200  -0.53   0.63   0.04   0.10 
1 1 1   10   10   33 o   11.045   0.5222   8.9285   34.900   3.49  -2.21  -0.05   1.56 
1 1 1   10   11    0 o   16.793   0.4888   12.143 -179.5000  -0.01   0.00   0.00   0.00 
1 1 1   10   11    1 o   48.127   0.4478   46.163  154.500  -0.07   1.79   2.47  -0.96 
1 1 1   10   11    2 o   47.186   0.2921   53.075 -16.6000  -0.30   0.45  -0.97   1.04 
1 1 1   10   11    3 f   38.847   0.8507   24.520 -55.5000   0.10  -5.96   1.11   0.11 
1 1 1   10   11    4 o   63.633   1.0221   61.675  139.700  -3.54   2.75   0.03   2.91 
1 1 1   10   11    5 f   45.141   0.9074   36.861 -137.8000  -2.49  -4.75   1.11  -2.56 
1 1 1   10   11    6 o   73.790   0.3385   80.727  -8.1000   0.25   2.53   2.52   1.61 
1 1 1   10   11    7 f   34.195   1.6117   35.762 -123.4000   0.05 -18.14   4.38   0.26 
1 1 1   10   11    8 o   59.609   0.3341   57.855  155.800  -0.27   1.15   1.52  -0.94 
1 1 1   10   11    9 o   46.209   1.1480   40.607   11.500  11.43   7.20  -2.03  -3.53 
1 1 1   10   11   10 o   10.867   0.4015   17.977  100.700   2.64   1.28  -1.02  -1.18 
1 1 1   10   11   11 o   55.116   1.0275   51.889 -144.6000  -9.53  -1.56  -3.32  -0.69 
1 1 1   10   11   12 o   7.7219   1.3449   11.790 -81.5000   2.97 -17.50   4.58   1.53 
1 1 1   10   11   13 o   10.390   0.2252   5.2012 -93.2000  -0.82  -0.76   0.20  -1.95 
1 1 1   10   11   14 o   31.474   0.3203   29.570 -136.1000   4.90  -9.68   6.11  11.81 
1 1 1   10   11   15 o   19.311   1.3437   21.485 -162.8000 -30.64 -26.13  -1.61 -11.85 
1 1 1   10   11   16 f   15.971   0.2469   6.1708 -78.0000  -0.65  -1.99   0.45  -0.42 
1 1 1   10   11   17 o   21.355   0.6307   19.242 -121.9000 -10.56  -4.12  -3.85  -3.00 
1 1 1   10   11   18 o   3.0495   0.6149   13.173  118.600  -0.18   0.26  -0.02   0.65 
1 1 1   10   11   19 o   20.366   0.3301   20.471  112.500  -0.14   1.38   0.28   0.01 
1 1 1   10   11   20 o   16.188   0.2966   18.538 -119.6000  -3.93   1.06  -1.47   1.20 
1 1 1   10   11   21 o   13.683   0.5166   11.496 -33.5000   5.53  -2.29  -1.28   1.59 
1 1 1   10   11   22 o   10.416   0.8408   8.3443  -3.2000   8.17  -6.19  -0.94   2.71 
1 1 1   10   11   23 o   9.8492   0.8979   19.090   48.500   2.62   3.69   0.21  -0.51 
1 1 1   10   11   24 o   7.8997   0.6720   9.4065 -60.0000   6.04  -5.63   0.02   2.74 
1 1 1   10   11   25 o   12.536   0.2568   17.355 -179.0000  -0.64   1.86   1.38   0.25 
1 1 1   10   11   26 f   12.521   1.4103   6.0038  -8.2000  11.43  -6.51  -1.06   1.53 
1 1 1   10   11   27 o   4.9517   0.5627   6.8673   28.300   0.01   1.43   1.83   0.98 
1 1 1   10   11   28 o   19.170   0.8657   21.183  139.300 -14.14  -3.10  -3.19  -0.95 
1 1 1   10   11   29 o   16.192   0.9384   14.812 -89.0000   7.48 -14.97   2.40   4.24 
1 1 1   10   11   30 f   0.0000   2.1505  ?   ?   -0.16   0.04  -0.08  -0.01 
1 1 1   10   11   31 o   4.1107   0.7292   4.5823   20.500   0.30  -1.09   0.60   0.05 
1 1 1   10   11   32 o   9.8214   0.3895   4.2536 -49.3000  -0.88  -0.03  -0.17  -0.14 
1 1 1   10   12    0 o   58.694   0.4036   48.625  179.300  -0.39   0.00   0.00   0.00 
1 1 1   10   12    1 o   21.270   0.2247   10.940 -96.8000  -0.36  -0.02  -0.87   1.36 
1 1 1   10   12    2 o   40.641   0.7366   29.441 -49.3000   1.68   2.09   0.08  -0.25 
1 1 1   10   12    3 o   26.800   0.7601   37.663   97.700  -9.17   4.05  -2.83   2.69 
1 1 1   10   12    4 o   24.382   1.2396   26.996   24.300   0.69  12.53   2.96  -0.19 
1 1 1   10   12    5 o   39.941   1.4817   43.260 -107.6000 -13.51  -8.04  -3.87  -5.78 
1 1 1   10   12    6 f   26.764   1.1556   31.247 -63.5000   2.26  -9.61   1.92   1.09 
1 1 1   10   12    7 o   36.559   1.4081   24.980   56.200  19.12  10.45  -3.90  -5.50 
1 1 1   10   12    8 o   13.711   0.3563   13.525 -70.5000   4.71  -1.70  -2.63   1.95 
1 1 1   10   12    9 o   38.220   0.4819   36.127 -119.8000  -5.58  -1.40  -4.21  -1.50 
1 1 1   10   12   10 o   22.653   0.5340   41.723   52.500 -11.80  10.59  -2.02  12.40 
1 1 1   10   12   11 o   30.522   1.1660   42.014  107.300 -11.70  12.18  -0.03   3.58 
1 1 1   10   12   12 o   32.466   1.4189   26.864 -146.4000 -25.65   9.03  -6.42   5.70 
1 1 1   10   12   13 o   4.9680   0.5196   12.348 -40.6000   1.14  -0.76  -0.12   0.25 
1 1 1   10   12   14 o   17.591   0.2766   1.0860 -145.0000   1.79  -0.16  -0.32   0.03 
1 1 1   10   12   15 o   32.965   0.2062   19.336 -79.2000   2.12  -2.22   0.82   2.07 
1 1 1   10   12   16 o   12.907   0.2345   7.2227  147.900  -0.21   0.20  -0.10   0.19 
1 1 1   10   12   17 o   32.604   1.0487   30.219   31.400   9.75   7.46  -0.56  -4.00 
1 1 1   10   12   18 o   26.910   0.4322   24.867   71.300   5.70   0.87  -2.38  -1.24 
1 1 1   10   12   19 o   31.018   0.8824   34.610  141.800 -11.96  -6.57  -2.19  -5.07 
1 1 1   10   12   20 o   25.519   0.3126   27.208  157.700  -1.97  -2.12  -0.14  -0.79 
1 1 1   10   12   21 o   17.623   0.3150   19.035 -114.2000  -0.09  -0.01  -0.00  -0.00 
1 1 1   10   12   22 f   13.660   0.2456   11.259   67.100   0.20   2.83   1.94  -0.87 
1 1 1   10   12   23 o   12.953   0.8469   12.759   52.900  10.19   0.24  -3.17  -0.44 
1 1 1   10   12   24 o   8.0961   0.8680   5.3772 -86.3000   2.82  -3.70   0.24   0.61 
1 1 1   10   12   25 o   14.011   0.7308   11.711  -8.7000  12.87   6.26  -2.96  -2.91 
1 1 1   10   12   26 o   5.6620   0.4829   1.2339   49.400   0.87  -0.36  -0.33   0.17 
1 1 1   10   12   27 o   15.732   0.3480   9.5223 -94.6000   0.39  -2.57   0.50   0.03 
1 1 1   10   12   28 o   12.902   0.2802   11.164   46.400  -1.09  -0.35  -0.12  -1.11 
1 1 1   10   12   29 o   9.7556   0.5967   4.7510 -50.3000   2.24  -0.97  -0.31   0.23 
1 1 1   10   12   30 o   9.4774   0.3631   13.178  138.700   0.20  -0.00  -0.02  -0.08 
1 1 1   10   12   31 o   17.698   0.2586   17.698 -122.7000  -0.35  -3.21   1.27   0.36 
1 1 1   10   12   32 o   16.337   0.2787   17.184  111.200  -0.33   0.17   0.12  -0.14 
1 1 1   10   13    0 o   0.0000   2.8636   0.9217  -2.4000   0.00   0.00   0.00   0.00 
1 1 1   10   13    1 o   35.174   0.3655   26.713 -159.8000  -0.57  -3.59   1.27  -0.20 
1 1 1   10   13    2 o   16.219   0.2602   30.221   62.600   1.23  -1.66   1.84   3.62 
1 1 1   10   13    3 o   42.911   1.5333   48.832   27.700  18.04   9.04  -3.03  -3.65 
1 1 1   10   13    4 o   25.890   0.2269   34.525 -151.1000  -0.86   0.37  -0.68   2.01 
1 1 1   10   13    5 o   16.211   0.2082   22.362 -161.6000   0.28  -0.32  13.48  -5.89 
1 1 1   10   13    6 o   35.713   1.3554   37.871 -30.8000  13.85 -18.20   1.91   5.90 
1 1 1   10   13    7 o   6.5405   0.3787   13.188 -104.2000  -0.65  -0.54  -0.09  -1.78 
1 1 1   10   13    8 o   30.477   0.9317   24.452 -173.8000 -19.14  -0.61  -7.25  -0.02 
1 1 1   10   13    9 o   22.354   0.1876   26.737  -2.2000   0.12  -0.17  -0.04   0.16 
1 1 1   10   13   10 o   18.182   0.8349   10.665 -84.9000  -0.23 -10.40   2.40  -0.01 
1 1 1   10   13   11 o   10.538   0.7019   16.243 -153.9000  -0.92  -5.04   1.45  -0.61 
1 1 1   10   13   12 o   12.008   1.3371   15.727 -14.5000   5.08 -43.49  13.86   3.04 
1 1 1   10   13   13 f   30.894   0.5485   25.638  105.700  -2.84   5.79   0.69   1.07 
1 1 1   10   13   14 o   26.486   0.7882   29.344  133.900  -5.60  10.24   2.18   2.81 
1 1 1   10   13   15 o   28.384   0.5563   27.092 -118.2000  -3.56  -0.98  -0.55  -0.24 
1 1 1   10   13   16 o   23.809   0.6470   17.666 -95.3000  -2.02  -4.55   1.02  -0.86 
1 1 1   10   13   17 o   15.783   0.2029   14.741   60.800   1.01  -1.18  -0.41   2.01 
1 1 1   10   13   18 o   5.9461   0.4178   12.437  128.600  -1.41   0.61  -0.59   0.47 
1 1 1   10   13   19 o   20.681   0.2035   21.292  100.000  -0.08  -0.90   0.38  -0.33 
1 1 1   10   13   20 f   12.233   0.4054   6.9052 -105.0000   1.18  -2.67   0.66   1.02 
1 1 1   10   13   21 o   14.540   0.2267   10.319 -27.4000   0.25   0.16  -0.39   0.05 
1 1 1   10   13   22 o   25.149   0.2859   22.345   63.400  -7.58   4.12  -1.35   3.59 
1 1 1   10   13   23 o   5.3492   1.0176   7.1754   49.000   6.14  -3.27  -1.56   1.96 
1 1 1   10   13   24 o   18.774   1.2370   12.672 -169.4000 -18.36  -2.43  -6.24  -2.85 
1 1 1   10   13   25 o   12.954   0.2714   14.380  157.500   0.79   2.14   0.43  -0.67 
1 1 1   10   13   26 o   6.8285   0.6742   9.2960 -108.1000   0.61  -0.23  -0.04   0.02 
1 1 1   10   13   27 f   15.124   0.7218   11.284   67.300  -4.54   9.32   2.04   4.20 
1 1 1   10   13   28 o   22.754   0.2355   23.328  150.500  -0.57   0.99   0.34   0.12 
1 1 1   10   13   29 o   12.860   0.8873   10.694 -66.5000   8.65  -8.48  -0.82   4.08 
1 1 1   10   13   30 o   9.6558   0.5349   10.471   81.800   1.67   1.97  -0.22  -0.93 
1 1 1   10   13   31 f   9.7198   0.3883   1.9687   63.000  -0.35   0.18  -0.08   0.00 
1 1 1   10   14    0 o   0.0000   2.7928   3.5236   2.7000  -0.01   0.00   0.00   0.00 
1 1 1   10   14    1 o   12.172   0.4645   11.724 -146.8000   1.11  -7.52   4.07   1.40 
1 1 1   10   14    2 f   19.137   1.1458   29.432 -107.3000   3.89 -12.31   2.08   1.38 
1 1 1   10   14    3 o   51.453   2.2029   49.560   56.200  41.52  23.61  -6.22  -9.48 
1 1 1   10   14    4 o   23.130   0.2848   33.893 -80.1000   1.43  -0.41  -0.24   0.12 
1 1 1   10   14    5 o   35.720   1.4298   18.142 -89.9000   0.18 -24.39   7.73  -0.35 
1 1 1   10   14    6 f   27.024   0.3047   43.825 -23.0000   0.76   0.25  -0.07  -0.07 
1 1 1   10   14    7 o   48.362   0.2453   52.362   66.600  -0.18   0.17   0.05   0.06 
1 1 1   10   14    8 o   7.5258   0.3508   4.5381   84.100   0.47   0.09  -1.38  -1.36 
1 1 1   10   14    9 f   35.719   0.6958   37.951 -125.4000   6.51 -12.61   2.50   4.30 
1 1 1   10   14   10 f   16.414   0.4587   34.220  166.700  -9.47  -5.34  -2.48  -4.66 
1 1 1   10   14   11 f   32.003   0.9435   41.582   58.900 -25.79  30.63   2.07  17.57 
1 1 1   10   14   12 f   15.453   0.8212   23.116 -84.2000  18.59  -2.95  -8.14   2.20 
1 1 1   10   14   13 o   22.699   0.3694   20.439 -44.0000   4.50  -1.34  -2.97   1.23 
1 1 1   10   14   14 o   18.929   0.2927   18.320 -149.8000  -1.46  -1.98   0.62  -1.17 
1 1 1   10   14   15 o   7.5053   0.3327   2.8686 -144.0000   0.05  -0.90   0.95   0.37 
1 1 1   10   14   16 o   7.8189   0.6037   9.7276 -56.1000   0.77   0.47  -0.02  -0.04 
1 1 1   10   14   17 o   26.586   0.7149   21.565   45.200  11.52   0.97  -4.31  -1.41 
1 1 1   10   14   18 o   17.555   0.5131   16.346   84.100   1.30   3.79   0.58  -0.59 
1 1 1   10   14   19 o   15.255   1.3541   19.605  156.400 -23.59   3.46  -5.07   1.25 
1 1 1   10   14   20 o   22.065   0.5526   24.040 -141.4000  -2.25  -2.52  -0.06  -0.65 
1 1 1   10   14   21 o   6.7895   0.3959   9.8282 -119.6000   0.64  -0.17  -2.67  -2.04 
1 1 1   10   14   22 o   7.1885   0.3832   1.9686  -6.0000  -0.59  -1.57   0.56  -0.33 
1 1 1   10   14   23 f   8.8132   0.7938   6.5999   12.200   5.76  -0.79  -1.50   0.20 
1 1 1   10   14   24 o   9.3174   0.3361   7.5544 -60.2000   0.23  -0.01  -0.05   0.11 
1 1 1   10   14   25 o   5.4683   0.6420   5.6516  142.000  -4.74  -0.77  -2.11  -1.11 
1 1 1   10   14   26 o   17.157   0.3633   16.280 -29.6000   1.73   0.76  -0.11  -1.13 
1 1 1   10   14   27 o   13.262   0.2727   9.9386 -102.9000  -1.43  -0.54  -1.07  -0.14 
1 1 1   10   14   28 f   9.9089   0.8396   14.899   69.200   6.76   3.00  -1.13  -0.97 
1 1 1   10   14   29 o   13.388   0.3100   10.109  106.300   0.98  -0.03  -0.35  -0.34 
1 1 1   10   14   30 o   14.709   0.5543   13.622  158.600   2.91   6.62   1.93  -1.18 
1 1 1   10   14   31 o   6.7671   0.8584   9.1641  166.700   0.04   0.87   0.06  -0.03 
1 1 1   10   15    0 o   4.4272   0.7283   22.857  -0.1000   0.02   0.00   0.00   0.00 
1 1 1   10   15    1 o   25.122   0.3064   31.541 -151.3000  -4.21   4.54   1.63   6.82 
1 1 1   10   15    2 f   51.237   0.4628   51.716  111.600  -2.26   2.92   0.64   1.14 
1 1 1   10   15    3 o   63.460   1.4078   52.837   51.700   7.40   9.35   0.20  -1.98 
1 1 1   10   15    4 o   46.358   0.5672   46.592 -101.1000   4.34  -3.77  -0.26   0.95 
1 1 1   10   15    5 o   38.387   1.8771   26.749 -78.5000  -4.36 -42.38  11.58  -2.99 
1 1 1   10   15    6 o   19.635   1.4010   18.350  157.600 -20.27  10.83  -2.74   3.86 
1 1 1   10   15    7 o   15.817   0.2172   27.212   43.900  -0.23   0.72   0.24   0.11 
1 1 1   10   15    8 o   32.069   0.7873   30.620 -149.6000 -11.43  -4.41  -2.12  -1.66 
1 1 1   10   15    9 o   24.183   0.6875   20.152 -117.0000   5.08  -9.54   1.06   1.77 
1 1 1   10   15   10 o   8.3636   0.3344   12.510 -154.0000  -0.67  -1.50   2.44  -1.68 
1 1 1   10   15   11 o   29.457   0.1976   25.819   63.900   0.74  -0.79   0.36   0.57 
1 1 1   10   15   12 f   7.7764   0.4101   3.3708   49.700   1.55  -2.38   0.46   0.87 
1 1 1   10   15   13 o   29.390   0.7618   31.115 -77.0000   2.49 -12.15   4.04   1.18 
1 1 1   10   15   14 o   12.364   0.2511   19.863  116.100  -0.12   0.16  -0.00   0.04 
1 1 1   10   15   15 o   21.166   0.3972   21.094 -111.7000  -1.71  -0.73  -0.21  -0.15 
1 1 1   10   15   16 o   9.7470   0.2869   11.856 -109.7000   0.04  -0.88   1.79   1.66 
1 1 1   10   15   17 o   19.987   0.5109   11.950   9.4000   2.48  10.32   4.30  -3.07 
1 1 1   10   15   18 o   2.6885   1.2614   3.6747 -43.9000  -0.68   1.85   0.40   0.39 
1 1 1   10   15   19 o   19.568   0.4069   22.970   10.600   4.97  -8.80   5.15   5.44 
1 1 1   10   15   20 o   11.596   0.3733   9.5561   45.600   2.96  -0.89  -0.73   0.69 
1 1 1   10   15   21 o   20.632   0.2134   19.746   48.500  -1.63   2.45  -0.04   2.16 
1 1 1   10   15   22 o   14.289   0.2484   11.755   91.300   0.56  -0.23  -0.24  -0.01 
1 1 1   10   15   23 o   6.4858   0.4679   11.542 -145.9000  -0.50  -0.06   0.35   2.15 
1 1 1   10   15   24 o   11.855   0.2975   12.408  148.900  -1.81  -0.03  -1.26  -0.81 
1 1 1   10   15   25 o   8.1970   0.9424   8.8481  156.000  -1.87   0.17  -0.11   0.01 
1 1 1   10   15   26 o   21.967   0.4755   17.705 -82.0000  -5.46  -4.98  -0.75  -1.90 
1 1 1   10   15   27 o   20.005   0.3001   17.215   61.900   7.61  -4.66  -0.78   5.26 
1 1 1   10   15   28 f   6.5906   0.5229   13.842  113.700   0.01   0.12  -0.05   0.05 
1 1 1   10   15   29 o   5.6196   0.7734   2.7897 -16.7000   1.87  -1.81  -0.22   0.66 
1 1 1   10   15   30 o   1.5896   1.1355   4.1887   13.300   0.01   0.09   0.01   0.01 
1 1 1   10   16    0 o   22.206   0.2823   28.821  179.600  -0.11   0.00   0.00   0.00 
1 1 1   10   16    1 o   30.886   0.8602   25.313 -54.1000  17.34 -12.09  -3.40   7.52 
1 1 1   10   16    2 o   18.708   0.7518   23.499 -100.1000   7.84 -11.34   1.28   3.01 
1 1 1   10   16    3 o   54.016   0.9373   50.985   70.500  18.80  15.35  -2.89  -8.38 
1 1 1   10   16    4 o   25.907   1.7618   26.876 -126.5000   2.93 -60.91  12.23   1.48 
1 1 1   10   16    5 o   13.364   1.1706   10.029 -61.7000   7.71 -29.95   8.31   4.32 
1 1 1   10   16    6 o   20.530   0.3988   17.240   10.100   4.64   1.30  -1.99  -0.93 
1 1 1   10   16    7 o   12.483   0.2286   15.055   49.100   1.55  -1.14  -2.49   3.48 
1 1 1   10   16    8 o   34.068   0.3047   32.526   75.700  -0.01   2.60   1.08   0.37 
1 1 1   10   16    9 o   42.719   0.9518   48.589 -130.5000   0.36 -17.03   8.17   1.77 
1 1 1   10   16   10 o   36.158   1.0322   42.003 -172.3000 -11.70  -9.93  -0.21  -4.50 
1 1 1   10   16   11 o   42.451   0.5862   44.313   29.700  24.22 -10.61  -8.17  12.57 
1 1 1   10   16   12 o   12.887   0.8150   22.251 -51.1000  -1.22 -10.98   2.44  -0.68 
1 1 1   10   16   13 o   28.512   1.0748   23.862 -43.8000  14.78  -5.37  -3.70   2.39 
1 1 1   10   16   14 f   25.975   0.3006   18.713 -129.1000  -4.68   1.76  -5.34   1.79 
1 1 1   10   16   15 o   15.043   0.2322   7.4996   20.100  -0.76   2.61   1.23   0.42 
1 1 1   10   16   16 o   19.669   0.1989   19.068 -13.6000   0.93   1.10   1.31  -1.23 
1 1 1   10   16   17 o   21.452   0.1972   22.225   94.200  -0.11   0.18  -0.08   0.06 
1 1 1   10   16   18 f   20.302   0.4709   15.718  129.500   4.17   4.64  -0.17  -2.06 
1 1 1   10   16   19 o   4.0340   0.6178   4.5848 -44.7000   2.94   0.07  -1.85   0.22 
1 1 1   10   16   20 o   32.168   0.6682   26.824 -116.2000  -5.37  -4.38  -0.55  -1.20 
1 1 1   10   16   21 o   8.5451   1.2130   11.816   22.000  11.99  -3.46  -2.79   1.39 
1 1 1   10   16   22 o   10.605   0.4773   8.3205 -132.7000  -3.17   3.02  -0.50   1.75 
1 1 1   10   16   23 o   4.8231   0.6077   10.604 -44.5000  -0.81  -0.25  -0.20  -0.06 
1 1 1   10   16   24 o   15.791   0.4004   11.609 -55.5000   2.35   0.60  -0.55  -0.69 
1 1 1   10   16   25 o   16.393   0.2655   15.326   55.400   5.07   0.36  -4.71   2.04 
1 1 1   10   16   26 o   4.8482   0.6510   4.5044 -51.9000  -0.16  -0.16  -0.08  -0.05 
1 1 1   10   16   27 o   16.668   0.6352   18.262 -48.1000   6.25  -2.22  -2.33   0.83 
1 1 1   10   16   28 o   2.7360   1.2972   4.0845  160.700   0.95   0.91  -0.10  -0.31 
1 1 1   10   16   29 o   8.3642   0.4453   11.720  119.600   0.23  -0.64   0.32  -0.55 
1 1 1   10   17    0 o   7.4162   0.4505   0.7865  164.100   0.11   0.00   0.00   0.00 
1 1 1   10   17    1 o   26.217   0.7679   17.967 -76.0000  -2.66 -10.21   5.39  -2.11 
1 1 1   10   17    2 o   13.876   1.4691   16.945   92.700  -7.22  28.17   6.24   3.18 
1 1 1   10   17    3 o   9.6983   0.8406   9.8602 -21.1000   3.15  -4.02   0.17   0.86 
1 1 1   10   17    4 o   27.555   0.2028   25.959  141.700  -0.66  -0.32   0.22  -0.93 
1 1 1   10   17    5 o   17.149   0.3812   17.000 -55.5000   0.78  -2.32   0.68   0.38 
1 1 1   10   17    6 o   11.864   0.7918   22.090  172.100  -4.99  -3.41  -0.36  -1.09 
1 1 1   10   17    7 o   23.556   0.1967   17.659  108.000  -0.55  -0.21  -0.67   0.04 
1 1 1   10   17    8 o   12.631   0.6352   10.887 -58.6000   1.99  -2.53   0.12   0.37 
1 1 1   10   17    9 o   18.352   0.6311   11.747 -113.1000  -0.07  -9.42   3.44   0.29 
1 1 1   10   17   10 o   15.867   0.2147   5.0717   25.000  -0.22   0.13   0.85   0.21 
1 1 1   10   17   11 o   26.060   0.5632   26.277   92.300   0.72   5.47   1.08  -0.50 
1 1 1   10   17   12 o   16.085   0.2264   2.6564   98.500  -0.27  -0.01  -0.10  -0.20 
1 1 1   10   17   13 o   10.577   0.4204   19.230 -64.2000   1.89  -6.31   3.61   1.77 
1 1 1   10   17   14 o   6.2162   0.9084   12.066   34.500  -3.07   8.20   2.61   2.66 
1 1 1   10   17   15 o   5.2134   0.5262   2.3620  129.500  -0.24   1.78   0.46   0.06 
1 1 1   10   17   16 o   15.921   0.9374   23.637 -82.8000   7.17  -7.74  -0.05   2.39 
1 1 1   10   17   17 o   16.338   0.5392   8.4590 -71.7000   4.71 -10.91   3.40   4.86 
1 1 1   10   17   18 o   4.7396   0.5753   6.5791 -93.4000   0.49   0.85   0.25  -0.26 
1 1 1   10   17   19 o   16.491   0.2753   15.791   18.200   1.64  -3.47   2.35   0.97 
1 1 1   10   17   20 o   16.633   0.2832   13.706 -77.2000  -0.32   0.48  -0.01   0.08 
1 1 1   10   17   21 o   21.105   0.3989   18.863   59.900  -1.16   5.42   1.39   1.25 
1 1 1   10   17   22 o   5.8485   0.4961   6.7941   60.100   0.25   0.33   0.26  -0.13 
1 1 1   10   17   23 o   6.2189   1.4730   2.1224 -119.7000   0.75  -6.27   0.97   0.35 
1 1 1   10   17   24 o   7.9583   0.9902   13.570  171.800  -4.24  -2.32  -0.48  -0.56 
1 1 1   10   17   25 o   2.8572   0.8909   3.9709 -117.1000   0.07  -0.01   0.04   0.03 
1 1 1   10   17   26 f   11.730   0.4042   14.765 -83.1000   2.15   0.08  -0.55  -0.30 
1 1 1   10   17   27 o   13.674   0.7902   14.187   2.7000   6.66  -6.67   0.62   2.57 
1 1 1   10   17   28 f   6.3537   0.6092   13.008  176.700  -0.50   0.30  -0.29  -0.07 
1 1 1   10   18    0 o   4.0125   0.8726   0.8252   37.200   0.02   0.00   0.00   0.00 
1 1 1   10   18    1 o   17.705   0.4804   11.830 -111.5000  -7.90   0.79  -2.59   0.77 
1 1 1   10   18    2 o   24.864   0.1972   27.836 -46.6000   0.06   0.05   0.03  -0.01 
1 1 1   10   18    3 o   19.879   0.4704   18.326  105.000  -4.08   0.55  -1.68   0.15 
1 1 1   10   18    4 o   23.065   0.7145   28.770   62.300  -6.90   8.91   1.11   3.01 
1 1 1   10   18    5 o   6.2659   0.6856   2.5966 -68.8000  -0.49  -2.69   0.43  -0.19 
1 1 1   10   18    6 f   9.9700   0.9284   9.4457 -177.4000  11.45 -11.99   0.52   5.65 
1 1 1   10   18    7 o   11.531   0.2821   2.5532  177.600   0.90  -0.31  -1.11   0.27 
1 1 1   10   18    8 o   12.734   0.2541   15.231   63.400   0.38   0.49   1.43  -0.50 
1 1 1   10   18    9 o   14.584   0.6035   14.098 -143.7000  -7.65   1.84  -1.71   1.10 
1 1 1   10   18   10 o   22.873   0.9722   17.997 -100.1000   1.11 -15.75   3.81   0.93 
1 1 1   10   18   11 o   21.828   0.7125   21.022   75.800 -12.49   5.72  -7.07   5.83 
1 1 1   10   18   12 o   12.286   0.2704   19.802 -155.2000   0.10  -0.07   0.14   0.01 
1 1 1   10   18   13 o   14.878   0.2347   16.369 -66.2000   1.51  -0.35  -1.89  -0.16 
1 1 1   10   18   14 o   32.122   0.2192   20.628 -60.5000   1.59   0.76  -1.74   0.47 
1 1 1   10   18   15 o   22.916   0.4056   15.360  154.100  -5.42   1.58  -0.83   0.78 
1 1 1   10   18   16 o   5.2416   0.5549   10.420   10.100   2.72  -0.01  -1.06  -0.17 
1 1 1   10   18   17 o   6.7605   0.4223   11.418   64.200  -1.09   0.93  -0.48   0.89 
1 1 1   10   18   18 o   7.6235   0.3995   5.4562 -101.1000  -0.04   0.11  -0.07  -0.07 
1 1 1   10   18   19 o   15.528   0.4337   21.176 -163.4000  -4.11   0.65  -1.36   0.06 
1 1 1   10   18   20 o   19.405   0.2249   16.341 -97.2000  -0.41  -0.34  -0.07  -0.06 
1 1 1   10   18   21 o   9.2681   0.7550   9.0909   93.000  -4.52   4.12   0.11   1.57 
1 1 1   10   18   22 f   12.735   0.9888   14.808 -171.9000 -12.59   0.26  -2.37  -0.20 
1 1 1   10   18   23 o   8.8108   0.8465   6.4164 -79.1000   0.08   1.29   0.06   0.00 
1 1 1   10   18   24 o   18.523   0.8231   16.660 -55.5000  16.19  -7.02  -4.22   3.21 
1 1 1   10   18   25 o   15.628   0.2763   15.636   99.700   2.74   1.30  -3.50   0.09 
1 1 1   10   18   26 f   9.2359   0.4452   9.5735 -118.9000  -0.23  -0.34   0.17   0.30 
1 1 1   10   18   27 o   12.253   0.9327   15.811  -4.5000   2.55  -4.07   0.09   0.83 
1 1 1   10   19    0 o   18.968   0.3163   10.486   0.5000   0.60   0.00   0.00   0.00 
1 1 1   10   19    1 o   11.553   0.3688   14.626 -12.2000   2.53   2.02  -0.47  -1.26 
1 1 1   10   19    2 o   22.238   0.5927   14.967 -89.6000   2.51  -7.09   1.51   1.56 
1 1 1   10   19    3 o   17.690   0.2774   13.953 -72.1000  -3.12  -3.64  -0.67  -4.71 
1 1 1   10   19    4 o   21.448   0.2093   24.173   63.100  -0.43   0.49  -0.47   0.41 
1 1 1   10   19    5 o   27.179   0.7711   24.770   88.900   7.70  13.69   1.88  -4.33 
1 1 1   10   19    6 o   13.211   0.5538   14.629 -28.8000   5.35   1.75  -1.33  -1.24 
1 1 1   10   19    7 f   19.580   0.5617   18.561 -136.9000   3.94  -8.47   2.60   2.32 
1 1 1   10   19    8 o   4.8285   0.7357   13.096 -28.6000   0.96   3.40   1.21  -0.58 
1 1 1   10   19    9 o   14.505   0.4239   5.8989  135.400  -0.07   2.13   0.30  -0.03 
1 1 1   10   19   10 o   16.185   0.3104   9.3150   61.300  -3.91   2.52  -0.49   2.40 
1 1 1   10   19   11 o   4.1248   0.9707   3.9734 -32.6000   0.94  -3.42   0.98   0.72 
1 1 1   10   19   12 o   12.194   0.6163   13.063  153.600  -4.10   8.42   2.28   2.28 
1 1 1   10   19   13 o   7.0990   1.0790   9.3262   73.500   0.92   5.48   1.19  -0.28 
1 1 1   10   19   14 o   17.036   0.4246   20.069   10.500   0.14   9.88   5.14   0.81 
1 1 1   10   19   15 o   15.545   0.2460   17.056 -87.4000  -1.00  -0.21  -0.19  -1.73 
1 1 1   10   19   16 o   2.8961   0.8765   8.2611   47.200  -0.10  -0.86   0.30   0.04 
1 1 1   10   19   17 o   3.9175   1.6627   2.0569   37.200   1.31  -1.51   0.01   0.26 
1 1 1   10   19   18 o   13.283   0.2547   10.683   81.000   0.56  -2.08   0.44   0.53 
1 1 1   10   19   19 o   6.8268   0.4386   8.3985  177.700  -0.15   0.02   0.17   0.03 
1 1 1   10   19   20 f   4.2412   0.6765   9.5125 -103.1000  -0.32   0.22   0.04   0.14 
1 1 1   10   19   21 o   14.859   0.2803   15.999 -13.3000   0.24   1.95   1.07   0.55 
1 1 1   10   19   22 o   16.412   0.2764   16.822   40.800   0.64   0.62  -1.14   1.28 
1 1 1   10   19   23 o   16.770   0.8852   14.364  119.500  -4.26  12.91   3.15   1.56 
1 1 1   10   19   24 o   10.190   0.5377   8.1676  142.700  -1.69   0.70  -0.14   0.33 
1 1 1   10   19   25 o   3.2607   1.5176   4.7767 -160.3000  -0.74   0.19  -0.05   0.04 
1 1 1   10   19   26 o   14.882   0.9019   12.207  105.600   1.97   6.50   0.56  -0.66 
1 1 1   10   20    0 f   13.161   0.3514   14.884   0.5000   0.40   0.00   0.00   0.00 
1 1 1   10   20    1 o   3.3064   0.7464   9.5834 -111.3000   0.06   0.18   0.03  -0.08 
1 1 1   10   20    2 o   10.996   0.3530   7.6642   46.300  -2.59   1.00  -0.93   1.32 
1 1 1   10   20    3 o   8.3584   0.3667   7.2658 -69.0000   0.13   0.03   0.30   0.01 
1 1 1   10   20    4 o   18.194   0.2239   20.289   54.100   0.56  -0.78  -0.93   1.14 
1 1 1   10   20    5 o   12.699   0.2647   13.135 -111.1000   0.27  -1.49   1.17   1.50 
1 1 1   10   20    6 f   30.298   1.1387   26.356  147.500 -20.90  21.18  -0.76   7.50 
1 1 1   10   20    7 o   22.701   0.6914   15.748 -149.0000  -7.49  -0.12  -1.55  -0.30 
1 1 1   10   20    8 o   15.540   1.3545   18.322 -39.8000  30.40  -9.66  -7.84   4.81 
1 1 1   10   20    9 f   30.748   0.4428   17.155 -22.3000   4.48   1.01  -1.96  -4.45 
1 1 1   10   20   10 o   6.8452   1.1882   7.7360   11.200   6.60  -2.97  -1.17   1.11 
1 1 1   10   20   11 o   14.945   0.3430   8.9674   93.500   2.78   1.27  -1.13  -0.71 
1 1 1   10   20   12 o   16.429   0.2417   16.557 -159.4000   0.39   0.04   0.59   0.55 
1 1 1   10   20   13 o   12.004   0.3428   8.7642 -87.2000  -0.05   0.27   0.01   0.01 
1 1 1   10   20   14 o   12.061   0.2974   7.9632   36.700   0.51   0.34  -0.21  -0.07 
1 1 1   10   20   15 o   10.560   0.4414   12.988 -158.4000   2.09  -3.37   0.23   1.64 
1 1 1   10   20   16 o   14.765   0.7846   12.743 -151.9000 -11.91   7.55  -1.59   6.21 
1 1 1   10   20   17 o   19.742   0.6829   17.436   12.800   6.30  -7.53   1.29   2.88 
1 1 1   10   20   18 o   6.6779   0.4850   8.6062 -54.9000  -0.03   0.11  -0.01   0.03 
1 1 1   10   20   19 o   26.304   0.4407   24.619 -158.2000  -2.01  -1.10  -0.61  -0.17 
1 1 1   10   20   20 o   4.1286   0.6988   9.1492 -103.9000   0.16   0.16  -0.02  -0.02 
1 1 1   10   20   21 o   8.7392   0.4248   5.5295 -61.3000  -0.15   0.42   0.14  -0.03 
1 1 1   10   20   22 o   12.745   0.5294   10.508 -117.6000  -2.53  -2.62   0.24  -0.65 
1 1 1   10   20   23 o   7.6174   0.7503   5.8686   4.6000   0.75  -2.28   0.53   0.15 
1 1 1   10   20   24 o   8.8868   0.9078   8.4942 -28.7000   3.45   1.05  -0.34  -0.38 
1 1 1   10   20   25 o   13.774   0.4999   14.337 -177.9000  -0.83   0.63  -0.06   0.06 
1 1 1   10   21    0 o   12.992   0.3848   15.809  -0.0000   0.50   0.00   0.00   0.00 
1 1 1   10   21    1 f   2.0143   0.9480   7.5663   37.800   0.08  -0.01   0.08   0.12 
1 1 1   10   21    2 o   14.876   0.2500   10.763 -101.0000  -0.20  -0.43   0.18  -0.03 
1 1 1   10   21    3 o   27.212   0.9695   24.139 -97.5000  -5.98 -16.88   3.22  -3.65 
1 1 1   10   21    4 o   15.994   0.4715   18.694   36.300  -0.59   4.27   1.01   0.08 
1 1 1   10   21    5 o   13.843   1.9597   15.505  108.800  -5.71  54.36  12.09   1.99 
1 1 1   10   21    6 o   8.2339   0.3814   14.440  -5.7000   0.77   0.32  -0.14  -0.70 
1 1 1   10   21    7 o   18.676   1.3135   19.115 -62.8000  12.63 -30.42   5.05   4.36 
1 1 1   10   21    8 o   12.723   0.4599   7.5959 -20.7000   3.96  -8.76   4.25   3.36 
1 1 1   10   21    9 o   4.0216   0.7102   3.1560 -155.6000   0.05  -1.00   0.20  -0.02 
1 1 1   10   21   10 o   10.739   0.9538   11.294   87.900   9.46  13.91   1.44  -4.90 
1 1 1   10   21   11 o   1.1379   1.0696   6.2444   78.800  -0.10  -1.00   0.26   0.00 
1 1 1   10   21   12 o   5.8714   0.5592   8.2566 -134.9000   0.03  -0.55   0.11   0.56 
1 1 1   10   21   13 o   4.0616   1.8102   3.5563   97.800   0.98   1.72   0.18  -0.22 
1 1 1   10   21   14 o   16.515   0.3773   15.407 -57.2000  -0.17  -4.57   3.29  -2.24 
1 1 1   10   21   15 o   21.629   1.0835   21.122 -31.1000   9.94   1.12  -1.45  -0.07 
1 1 1   10   21   16 o   19.815   0.5029   19.642   48.600   4.25   2.99  -2.31  -2.10 
1 1 1   10   21   17 f   4.5633   0.7731   3.8850 -49.4000   0.50  -1.06   0.17   0.11 
1 1 1   10   21   18 o   10.190   0.7665   5.7309  139.100  -2.40   4.06   0.74   0.79 
1 1 1   10   21   19 o   7.2799   0.5500   1.2918   21.200   1.76  -3.25   0.37   1.18 
1 1 1   10   21   20 o   7.0145   0.5268   9.5449 -69.5000   0.23  -0.30  -0.02   0.05 
1 1 1   10   21   21 o   8.3511   0.4857   6.3494   0.4000   1.77  -1.67   0.49   0.96 
1 1 1   10   21   22 o   10.289   0.4457   7.2442   40.200   2.87  -0.32  -1.07   1.41 
1 1 1   10   21   23 o   16.624   0.2780   11.351   35.800  -0.42   0.11  -0.00  -0.16 
1 1 1   10   21   24 o   0.0000   2.5868  ?   ?    0.16  -0.38   0.03   0.12 
1 1 1   10   22    0 o   9.1214   0.5326   2.6464 -175.9000   0.15   0.00   0.00   0.00 
1 1 1   10   22    1 f   8.5467   0.3899   9.8595   36.000   1.02   0.33  -0.57  -0.09 
1 1 1   10   22    2 o   4.0664   1.8338   1.8991  -2.1000   2.70  -3.01  -0.01   1.07 
1 1 1   10   22    3 o   15.114   0.7137   11.745 -14.0000   8.68  12.28   1.80  -3.71 
1 1 1   10   22    4 o   7.7228   0.4059   8.5414 -63.8000  -0.06   0.15   0.03  -0.23 
1 1 1   10   22    5 o   12.612   0.2855   11.183  151.400  -0.34   0.59   1.23  -0.56 
1 1 1   10   22    6 o   11.005   0.8822   16.550  127.700 -14.59   5.57  -5.69   3.90 
1 1 1   10   22    7 o   21.015   0.9141   18.889 -158.8000 -17.29   1.51  -5.30   0.14 
1 1 1   10   22    8 o   8.5978   1.4916   10.759 -66.3000   9.12 -10.53   0.10   2.89 
1 1 1   10   22    9 o   9.4670   0.3599   9.8857 -47.2000  -0.97  -1.54   0.02  -0.51 
1 1 1   10   22   10 o   7.1691   0.4518   5.7356 -74.0000   0.29   0.18   0.01  -0.05 
1 1 1   10   22   11 o   12.640   0.2807   15.738 -68.8000  -0.13  -1.17   0.49   0.21 
1 1 1   10   22   12 o   6.4187   0.5187   9.5466   44.100   1.57  -0.32  -0.83   1.86 
1 1 1   10   22   13 o   5.5071   0.6048   8.2677  171.700   0.22  -0.12   0.09   0.10 
1 1 1   10   22   14 o   10.843   0.3295   11.235  160.000  -1.34  -0.84  -0.03  -0.26 
1 1 1   10   22   15 o   6.4039   0.5170   2.9619   15.200  -0.03  -0.41   0.13   0.25 
1 1 1   10   22   16 o   6.1068   1.1792   3.0928 -70.0000   4.35  -1.57  -0.85   0.46 
1 1 1   10   22   17 o   4.6431   0.8060   3.7490   34.700  -0.80   1.85   0.24   0.60 
1 1 1   10   22   18 o   8.6571   0.7472   10.295  125.600  -2.23   5.83   0.92   1.31 
1 1 1   10   22   19 o   12.533   0.3161   14.839 -142.6000  -0.69  -0.86  -1.16   1.95 
1 1 1   10   22   20 o   14.626   0.4118   13.133 -80.1000   2.18  -0.03  -0.52   0.41 
1 1 1   10   22   21 o   8.8204   0.5814   7.7437   87.300   0.38   1.98   0.23  -0.23 
1 1 1   10   22   22 o   0.0000   2.4786  ?   ?    0.03  -0.18  -0.05   0.09 
1 1 1   10   23    0 o   15.811   0.3797   6.0881   0.6000   0.08   0.00   0.00   0.00 
1 1 1   10   23    1 o   8.5071   1.0013   7.4338   3.3000   1.57  -4.58   0.63   0.32 
1 1 1   10   23    2 o   3.5410   0.8045   5.2803 -47.2000  -0.94  -0.32  -0.15  -0.29 
1 1 1   10   23    3 o   1.2534   1.1137   1.7603   82.400   0.40  -0.48   0.29   0.27 
1 1 1   10   23    4 o   4.4827   0.8323   3.1450 -86.7000   0.07   3.29   0.89  -0.25 
1 1 1   10   23    5 o   10.648   0.7823   9.2129 -166.3000  -6.18  14.72   5.51   3.81 
1 1 1   10   23    6 o   11.486   0.3113   1.7348 -49.5000  -0.19   0.20   0.05   0.02 
1 1 1   10   23    7 o   22.100   0.9546   18.687 -63.8000   6.65 -18.60   4.56   2.47 
1 1 1   10   23    8 o   8.7706   0.4031   7.2869 -55.9000   0.45  -1.02   1.22  -0.19 
1 1 1   10   23    9 f   11.250   0.3156   9.3779   14.000   0.25  -0.28   0.03  -0.53 
1 1 1   10   23   10 o   5.8306   1.2614   3.6774   70.700   5.78   5.39  -0.37  -1.88 
1 1 1   10   23   11 o   8.5731   0.4310   7.9653  121.200   0.17   0.45  -0.02  -0.18 
1 1 1   10   23   12 o   5.7112   0.8288   5.6468  125.600  -1.95  -0.46  -0.38  -0.06 
1 1 1   10   23   13 o   2.1129   1.0796   7.2261  -1.8000  -0.25  -0.19  -0.05  -0.04 
1 1 1   10   23   14 o   11.597   0.9026   10.166 -95.7000   1.38  -9.88   2.30   0.20 
1 1 1   10   23   15 f   2.5480   1.2558   4.1901 -11.4000  -0.08   0.12   0.00   0.00 
1 1 1   10   23   16 o   18.986   0.7883   19.232   51.300  16.57  -0.11  -5.91   1.60 
1 1 1   10   23   17 o   8.9311   0.4821   7.2596 -72.5000   0.88  -1.01   0.92   0.29 
1 1 1   10   23   18 o   4.5976   0.7457   6.6683  171.000   0.55  -0.56  -0.37   0.25 
1 1 1   10   23   19 o   3.2369   1.3016   6.0984   13.200   0.87  -0.89  -0.22   0.37 
1 1 1   10   23   20 o   6.6035   1.0654   6.8487   56.900   1.26   1.16   0.04  -0.14 
1 1 1   10   23   21 o   6.2298   0.6778   7.8408  140.200   0.74  -0.03  -0.06   0.06 
1 1 1   10   24    0 o   0.4472   1.2079   6.7160  -0.6000   0.04   0.00   0.00   0.00 
1 1 1   10   24    1 o   7.9509   0.4602   3.1143  136.800  -1.02   0.76  -0.55   0.38 
1 1 1   10   24    2 f   10.356   0.3812   4.7764 -117.9000   2.54  -1.80  -0.66   0.79 
1 1 1   10   24    3 o   8.9834   0.4481   8.0238 -16.5000   3.08  -0.10  -1.29  -0.43 
1 1 1   10   24    4 o   13.468   0.6980   12.549 -38.3000   6.38   1.36  -0.77  -0.20 
1 1 1   10   24    5 o   4.0938   1.2406   12.098  157.700  -0.61  -1.05   0.11  -0.12 
1 1 1   10   24    6 o   4.5354   1.3356   6.3876  117.300  -1.77   2.56   0.11   0.71 
1 1 1   10   24    7 o   7.1356   0.9547   5.8142  108.700  -0.33   2.67   0.24   0.11 
1 1 1   10   24    8 o   3.8428   0.8032   7.5545  165.800  -0.25   0.09   0.12   0.12 
1 1 1   10   24    9 o   3.0389   0.8987   3.9845 -92.0000  -0.12  -0.29   0.01  -0.03 
1 1 1   10   24   10 o   5.3683   0.6648   3.3177  118.500   0.26  -0.27  -0.01   0.02 
1 1 1   10   24   11 o   3.1039   0.8818   1.9263   32.500  -0.00  -0.27   0.04   0.06 
1 1 1   10   24   12 o   16.108   0.3036   14.832   66.400  -4.44   4.71  -1.63   3.19 
1 1 1   10   24   13 o   4.9149   0.7041   1.0807   32.900   0.09   0.02   0.02   0.02 
1 1 1   10   24   14 f   8.0920   0.5007   15.159  179.700  -1.01  -2.22   0.53  -0.25 
1 1 1   10   24   15 o   5.7744   1.8458   3.5773   63.800   0.06  -0.43   0.01   0.00 
1 1 1   10   24   16 o   7.7000   0.5448   3.3848  101.400  -1.34  -0.58  -0.27  -0.08 
1 1 1   10   24   17 o   9.4150   0.4598   9.1286  133.300   0.22   0.49  -0.29  -0.03 
1 1 1   10   24   18 o   14.418   0.5618   16.214  147.100  -1.47   3.02   0.01   0.81 
1 1 1   10   24   19 o   0.0000   2.5931  ?   ?    1.00  -0.70  -0.19   0.21 
1 1 1   10   25    0 o   15.366   0.4518   14.342 -180.0000  -0.20   0.00   0.00   0.00 
1 1 1   10   25    1 o   2.8187   0.9417   8.4633 -30.1000  -0.20  -0.42  -0.09  -0.24 
1 1 1   10   25    2 f   8.4157   0.4879   10.798 -25.4000   0.63   0.15  -0.02  -0.23 
1 1 1   10   25    3 o   19.445   0.7441   17.354  112.500  -4.15   8.47   0.74   1.89 
1 1 1   10   25    4 o   6.9798   0.5389   5.3562  171.600   0.10   0.00   0.02   0.01 
1 1 1   10   25    5 o   6.3831   0.5992   12.950 -146.1000  -0.62  -2.09   1.34   0.21 
1 1 1   10   25    6 o   13.499   0.3369   13.637  140.700  -0.56   0.85   0.19   0.08 
1 1 1   10   25    7 o   3.7339   1.6950   10.157 -40.2000   0.13   1.39   0.18   0.01 
1 1 1   10   25    8 o   9.3119   0.4310   7.1681 -68.9000   1.27  -0.34  -0.80  -0.70 
1 1 1   10   25    9 o   11.900   0.3938   9.9542   87.500  -0.61   0.00   0.00   0.27 
1 1 1   10   25   10 o   7.4688   0.5337   6.4667   78.900  -0.36   0.39  -0.42  -0.19 
1 1 1   10   25   11 o   7.5106   0.5062   8.3259  -5.0000  -0.15   0.36  -0.02  -0.30 
1 1 1   10   25   12 f   1.7279   1.1658   1.3301  143.200  -0.09  -0.22  -0.15   0.15 
1 1 1   10   25   13 o   3.9193   1.2036   3.5901 -45.7000  -0.40  -0.06  -0.02   0.00 
1 1 1   10   25   14 o   8.6210   0.4868   9.7525 -132.7000   0.25  -0.31  -0.14  -0.03 
1 1 1   10   25   15 o   11.917   0.4045   12.083 -173.5000  -0.01  -1.61   0.28   0.42 
1 1 1   10   25   16 o   10.201   0.4880   7.2685   84.200  -0.34   0.69  -0.25   0.04 
1 1 1   10   25   17 o   3.3283   1.0186   3.1143   57.800  -0.24   0.59  -0.09   0.18 
1 1 1   10   26    0 o   14.346   0.4852   14.827   0.1000   0.53   0.00   0.00   0.00 
1 1 1   10   26    1 o   3.6672   0.9601   3.1549 -143.1000  -0.09   0.31   0.01   0.04 
1 1 1   10   26    2 o   7.0065   0.6321   5.3849 -148.8000   0.39   0.07  -0.01  -0.05 
1 1 1   10   26    3 o   11.079   0.7803   13.767 -41.7000   8.15  -4.58  -2.56   2.16 
1 1 1   10   26    4 o   7.2766   0.6339   4.5095 -59.8000  -0.89  -1.31   0.18  -0.17 
1 1 1   10   26    5 o   6.9137   1.9403   11.917 -145.6000  -1.94  -0.70  -0.07  -0.08 
1 1 1   10   26    6 o   2.1239   1.1749   3.3302 -27.8000  -0.31  -0.71  -0.03  -0.33 
1 1 1   10   26    7 f   11.133   0.4164   9.3859  113.700   0.46  -0.77   0.08   0.04 
1 1 1   10   26    8 o   4.9904   0.7852   7.0896  128.800  -0.18  -0.01   0.00  -0.03 
1 1 1   10   26    9 o   4.9391   2.1857   8.5288 -27.1000   0.60  -1.50   0.07   0.10 
1 1 1   10   26   10 o   4.3306   0.8401   3.0774   73.400  -1.37   0.32  -0.17   0.25 
1 1 1   10   26   11 o   3.3185   1.0057   2.9823  151.700  -0.13  -0.16   0.04   0.01 
1 1 1   10   26   12 o   11.305   0.7728   8.5000 -36.9000   1.55  -3.63   0.81   0.24 
1 1 1   10   26   13 o   2.0772   1.2521   2.8202   48.000   0.02   0.02   0.00   0.00 
1 1 1   10   26   14 o   7.1246   0.6245   8.4382 -164.2000  -0.73  -0.03   0.14   0.25 
1 1 1   10   26   15 o   0.0000   2.6848  ?   ?    0.11   0.06   0.02   0.00 
1 1 1   10   27    0 o   2.3238   1.4817   4.6128   0.9000  -0.08   0.00   0.00   0.00 
1 1 1   10   27    1 o   9.5091   1.1029   7.3878 -67.3000  -1.29  -0.75  -0.07  -0.05 
1 1 1   10   27    2 o   7.7900   0.6996   12.824 -59.6000   2.74   0.38  -0.43  -0.47 
1 1 1   10   27    3 f   2.4505   1.2208   7.2335  141.300   0.51  -0.07  -0.05   0.11 
1 1 1   10   27    4 o   1.3670   1.3458   0.3013 -28.0000   0.68  -0.37   0.06   0.26 
1 1 1   10   27    5 o   17.977   0.5301   17.516 -134.4000  -2.56  -3.97   2.77  -0.37 
1 1 1   10   27    6 o   13.717   0.3737   7.5155  135.800  -0.58   0.19   0.17  -0.16 
1 1 1   10   27    7 f   11.582   0.4683   9.8858 -58.7000  -1.50  -2.53  -0.31  -0.92 
1 1 1   10   27    8 o   9.8818   0.4837   8.9493 -11.8000   0.92  -1.07  -0.36   0.24 
1 1 1   10   27    9 o   6.1889   0.7351   12.413  157.200  -0.22   0.24  -0.01   0.01 
1 1 1   10   27   10 o   0.0000   2.7016  ?   ?   -0.37   0.85   0.05   0.19 
1 1 1   10   27   11 o   10.166   0.8828   7.0943  -3.4000   1.68   2.62  -0.20  -0.56 
1 1 1   10   27   12 o   5.1543   0.8245   7.2582 -102.3000  -0.26   0.17   0.04   0.00 
1 1 1   10   28    0 o   0.3162   1.2864   2.7717   6.2000   0.02   0.00   0.00   0.00 
1 1 1   10   28    1 o   2.8361   1.2955   3.8063   22.600   0.53   0.22  -0.11   0.07 
1 1 1   10   28    2 o   0.0000   2.8494  ?   ?    0.02   0.15   0.01  -0.01 
1 1 1   10   28    3 o   11.481   0.4743   13.743 -68.9000   1.60  -1.52  -0.92   0.17 
1 1 1   10   28    4 o   0.0000   3.0423  ?   ?   -0.30  -0.15   0.03  -0.04 
1 1 1   10   28    5 o   13.175   0.6606   11.718 -107.0000   2.42  -0.75  -0.02   0.37 
1 1 1   10   28    6 f   6.1218   0.7613   9.1053 -36.4000   1.33  -0.08  -0.14  -0.25 
1 1 1   10   28    7 f   7.8164   1.5647   12.254  157.500  -2.57   1.55  -0.20   0.14 
1 1 1   10   28    8 o   12.503   0.4852   12.554   72.900  -1.42   1.17  -0.50  -0.21 
1 1 1   11    0    1 o   66.883   0.4264   72.157   89.900   0.00   0.13   0.00   0.00 
1 1 1   11    0    2 f   13.704   0.2437   16.256 -179.1000  -0.17   0.00   0.00   0.00 
1 1 1   11    0    3 o   13.409   0.2345   5.2330   78.800  -0.00  -0.04   0.00   0.00 
1 1 1   11    0    4 o   47.957   0.3272   33.690  -0.3000   0.39   0.00   0.00   0.00 
1 1 1   11    0    5 o   45.788   0.3134   24.800   90.000   0.00   0.15   0.00   0.00 
1 1 1   11    0    6 o   13.590   0.2563   2.6304 -176.6000   0.01   0.00   0.00   0.00 
1 1 1   11    0    7 o   34.680   0.2690   20.350   89.900  -0.00  -0.06   0.00   0.00 
1 1 1   11    0    8 o   35.616   0.2813   11.455  -0.9000  -0.16   0.00   0.00   0.00 
1 1 1   11    0    9 o   51.960   0.3584   47.160   89.800   0.00   0.03   0.00   0.00 
1 1 1   11    0   10 o   13.856   0.3209   4.5880  176.900  -0.19   0.00   0.00   0.00 
1 1 1   11    0   11 o   8.1792   0.3793   23.678 -89.1000  -0.00  -0.01   0.00   0.00 
1 1 1   11    0   12 f   44.414   0.3008   26.977 -179.4000   0.31   0.00   0.00   0.00 
1 1 1   11    0   13 o   54.196   0.3356   48.737   90.500   0.00   0.12   0.00   0.00 
1 1 1   11    0   14 o   9.3113   0.2100   9.4949  179.300   0.05   0.00   0.00   0.00 
1 1 1   11    0   15 o   48.201   0.3184   48.189   90.300   0.00   0.17   0.00   0.00 
1 1 1   11    0   16 f   32.106   0.2503   33.700 -180.0000  -0.71   0.00   0.00   0.00 
1 1 1   11    0   17 o   9.7877   0.2877   0.8833 -56.4000  -0.00  -0.05   0.00   0.00 
1 1 1   11    0   18 o   8.5615   0.2935   10.996   1.4000   0.06   0.00   0.00   0.00 
1 1 1   11    0   19 o   39.331   0.3003   49.672 -89.9000  -0.00  -0.12   0.00   0.00 
1 1 1   11    0   20 o   29.486   0.2705   29.588   0.1000   0.38   0.00   0.00   0.00 
1 1 1   11    0   21 o   21.216   0.2538   32.715 -90.2000   0.00   0.09   0.00   0.00 
1 1 1   11    0   22 o   3.6878   0.6676   5.5088   0.6000  -0.03   0.00   0.00   0.00 
1 1 1   11    0   23 o   32.711   0.2909   38.830   90.200   0.00   0.39   0.00   0.00 
1 1 1   11    0   24 o   22.394   0.2691   14.753   0.5000  -0.62   0.00   0.00   0.00 
1 1 1   11    0   25 o   9.8438   0.3339   11.492 -89.5000  -0.00  -0.35   0.00   0.00 
1 1 1   11    0   26 o   6.7305   0.4515   4.2221   1.2000   0.29   0.00   0.00   0.00 
1 1 1   11    0   27 o   6.4653   0.4676   7.1203   91.900   0.00   0.31   0.00   0.00 
1 1 1   11    0   28 o   19.194   0.2874   22.601  -0.2000   0.28   0.00   0.00   0.00 
1 1 1   11    0   29 o   12.677   0.3342   5.1867 -89.4000  -0.00  -0.16   0.00   0.00 
1 1 1   11    0   30 o   1.7321   1.1544   8.0491  179.300  -0.07   0.00   0.00   0.00 
1 1 1   11    0   31 o   9.7724   0.4355   10.119 -90.8000  -0.00  -0.12   0.00   0.00 
1 1 1   11    0   32 f   22.731   0.3274   8.1635   0.1000   0.63   0.00   0.00   0.00 
1 1 1   11    0   33 o   9.4868   0.4714   9.2253 -89.1000  -0.00  -0.15   0.00   0.00 
1 1 1   11    1    0 o   39.817   0.2954   22.511   89.600  -0.00  -0.28   0.00   0.00 
1 1 1   11    1    1 o   15.570   1.1635   28.992 -66.0000  22.15 -13.65  -4.16   8.49 
1 1 1   11    1    2 o   66.994   0.7491   47.337  119.100  -3.11   4.76   0.33   0.99 
1 1 1   11    1    3 o   47.294   0.2798   52.106   10.300   4.55 -13.04   7.71   7.08 
1 1 1   11    1    4 o   70.458   0.4203   56.949   80.900  -0.77  -0.69   0.88  -1.46 
1 1 1   11    1    5 o   16.360   1.2127   16.531   37.000   2.69  -9.70   1.45   0.85 
1 1 1   11    1    6 o   30.299   0.6296   46.613 -143.7000   0.98  -4.39   0.70   0.37 
1 1 1   11    1    7 o   11.960   0.5124   8.5992 -39.1000   1.33  -0.85  -0.20   0.49 
1 1 1   11    1    8 o   16.347   0.5215   9.6047   11.100   7.26   2.36  -5.80  -4.71 
1 1 1   11    1    9 f   39.322   0.8577   36.693 -14.5000   4.97   0.15  -1.88  -0.30 
1 1 1   11    1   10 o   43.636   0.2278   29.437 -36.1000   0.06   0.09  -0.07  -0.03 
1 1 1   11    1   11 o   32.449   0.7873   35.085   75.200   0.36   4.99   1.21  -0.29 
1 1 1   11    1   12 o   46.654   2.6464   53.829  138.700 -37.14  -2.63  -9.41  -1.84 
1 1 1   11    1   13 o   19.511   0.6713   11.583 -105.6000  -2.51  -7.41   1.89  -1.56 
1 1 1   11    1   14 o   29.136   0.5616   30.680 -92.3000  12.03  -2.72  -9.39   3.66 
1 1 1   11    1   15 o   39.910   0.5781   47.218   12.500   2.73   2.06  -0.35  -0.76 
1 1 1   11    1   16 f   20.073   0.1593   26.864 -92.3000   0.55   0.16  -0.56  -3.53 
1 1 1   11    1   17 o   56.305   0.4224   61.656   7.0000   6.22   2.81  -1.50  -2.79 
1 1 1   11    1   18 o   26.078   0.1735   26.864  125.600   2.84   1.39 -19.36  -8.21 
1 1 1   11    1   19 o   33.115   0.1987   38.723 -168.8000  -0.23  -0.15   0.63   0.23 
1 1 1   11    1   20 o   30.559   0.7729   30.593  100.200 -13.55   2.42  -6.55   1.55 
1 1 1   11    1   21 o   18.546   0.1762   19.203  127.000  -0.11  -0.17  -0.08  -0.19 
1 1 1   11    1   22 o   15.070   1.3809   17.865 -50.4000  51.86  10.15 -24.77 -11.23 
1 1 1   11    1   23 o   16.347   0.7053   26.313  -7.1000   6.15   3.10  -1.24  -2.11 
1 1 1   11    1   24 o   25.918   0.3687   28.265   92.800  -5.18   1.61  -6.36   1.24 
1 1 1   11    1   25 o   16.959   0.2004   11.241 -116.3000  -0.23   0.21   0.32   0.19 
1 1 1   11    1   26 o   24.780   1.5879   19.145   37.400  71.91   3.14 -24.47  -0.78 
1 1 1   11    1   27 o   11.282   0.2323   11.066  124.400   0.06  -0.25   0.02   0.12 
1 1 1   11    1   28 o   36.515   0.2490   37.641 -95.6000   1.69  -3.32 -14.74  -0.51 
1 1 1   11    1   29 o   13.006   0.2351   13.637   55.200   1.67   0.05  -0.86   0.26 
1 1 1   11    1   30 o   18.442   0.2201   18.324   47.600   1.05  -0.04  -0.37   0.38 
1 1 1   11    1   31 f   26.046   0.5491   19.006 -178.3000  -4.41  -9.81   1.21  -2.01 
1 1 1   11    1   32 f   3.9855   0.6390   7.7629 -35.3000   0.39   0.30  -0.20  -0.20 
1 1 1   11    1   33 o   7.1388   0.4621   3.0323  169.000  -0.46   0.45   1.38   0.16 
1 1 1   11    2    0 o   13.372   0.2568   1.1117  108.100   0.00   0.05   0.00   0.00 
1 1 1   11    2    1 o   46.812   0.5072   44.815   94.800  -0.00   3.14   0.79   0.07 
1 1 1   11    2    2 o   17.847   2.2080   27.810 -99.3000  33.47 -91.92  24.12  20.50 
1 1 1   11    2    3 o   34.346   0.3958   28.554   76.500   6.01  -0.02  -1.92  -0.08 
1 1 1   11    2    4 o   43.959   1.7013   29.451  -9.8000   0.09 -30.43  10.13  -0.24 
1 1 1   11    2    5 f   20.047   0.9211   11.945  126.400 -16.52  -6.03  -3.81  -3.32 
1 1 1   11    2    6 f   9.0160   0.7339   24.546 -57.8000   0.06  -3.34   1.00   0.01 
1 1 1   11    2    7 o   0.0000   1.8812  ?   ?    0.02  -0.00   0.00   0.00 
1 1 1   11    2    8 o   76.021   0.3298   67.884 -38.0000   0.38   0.45  -0.97  -0.30 
1 1 1   11    2    9 o   64.430   0.9739   72.962   84.800   3.06   0.06  -0.39   0.04 
1 1 1   11    2   10 o   15.941   1.7081   12.511 -67.5000   3.63  -9.25   1.25   1.23 
1 1 1   11    2   11 o   27.015   0.7263   38.649 -173.9000  -2.06   3.43   0.57   0.88 
1 1 1   11    2   12 o   18.443   1.7655   22.781   30.200   6.22  18.76   4.48  -3.15 
1 1 1   11    2   13 o   56.262   0.2994   39.967   8.2000   0.44  -0.20  -0.03   0.06 
1 1 1   11    2   14 o   11.535   0.9933   19.737 -22.1000  13.93  -9.32  -2.43   6.18 
1 1 1   11    2   15 o   45.716   0.2714   54.312   39.600   0.61   1.33   2.73  -0.31 
1 1 1   11    2   16 f   42.511   1.2091   30.979  159.300  -6.88  28.69  13.80   5.72 
1 1 1   11    2   17 o   61.338   0.2963   54.940 -166.3000  -0.83  -0.49   2.84   1.05 
1 1 1   11    2   18 o   24.288   1.3436   20.070 -60.5000   6.55 -14.76   1.88   1.89 
1 1 1   11    2   19 o   34.699   0.1948   31.778 -40.5000   0.24   0.75   0.07  -0.08 
1 1 1   11    2   20 o   20.639   1.3003   14.894   11.400   5.95  20.34   4.76  -2.74 
1 1 1   11    2   21 o   36.953   1.1473   42.587 -80.2000   0.75 -19.39   3.27   0.01 
1 1 1   11    2   22 o   25.019   0.1835   15.316  112.800   2.05   2.72  -0.07  -2.51 
1 1 1   11    2   23 f   22.254   0.1815   29.694  144.600  -0.50   1.48   7.48  -8.39 
1 1 1   11    2   24 o   14.221   0.9458   11.087 -45.6000   4.18 -15.83   5.03   3.35 
1 1 1   11    2   25 o   8.7710   0.8737   10.370 -49.3000  20.26   2.71  -9.74  -3.19 
1 1 1   11    2   26 f   10.818   1.2151   12.264   48.800  13.15  23.17   4.21  -6.46 
1 1 1   11    2   27 o   27.125   1.0839   23.157  160.700 -18.20  -8.52  -3.36  -6.20 
1 1 1   11    2   28 o   9.8374   0.4002   7.3253 -33.6000  -2.60  -2.19   0.04  -1.68 
1 1 1   11    2   29 o   14.353   0.3496   9.6715 -138.4000  -2.67   1.22  -0.60   1.30 
1 1 1   11    2   30 o   9.3022   0.6619   6.1910 -98.3000   1.87  -5.92   1.58   1.51 
1 1 1   11    2   31 o   7.6815   0.3631   8.6959   20.400   0.60  -0.53   0.13   0.42 
1 1 1   11    2   32 o   12.233   0.2798   12.707 -35.8000   0.98   0.75   1.12  -1.36 
1 1 1   11    2   33 o   3.5813   0.7670   5.9739 -92.3000   0.03  -1.30   0.54   0.26 
1 1 1   11    3    0 f   32.694   0.2594   8.2109   90.600   0.00   0.01   0.00   0.00 
1 1 1   11    3    1 o   17.395   1.4211   24.052 -37.9000  50.80 -17.49 -20.90  16.67 
1 1 1   11    3    2 o   47.231   1.3068   52.021   98.600 -14.15  21.39   2.66   6.87 
1 1 1   11    3    3 f   9.8415   0.8098   1.8262 -147.1000  19.96 -14.72  -5.93  18.42 
1 1 1   11    3    4 f   35.675   0.2973   15.480  177.200  -1.91  -1.64  -0.05  -0.62 
1 1 1   11    3    5 o   18.491   1.0533   18.113 -161.3000  -1.20  -6.70   1.67  -0.68 
1 1 1   11    3    6 o   56.114   1.4366   40.901   86.400   7.98   8.75  -0.00  -4.24 
1 1 1   11    3    7 o   15.552   1.8569   12.853   79.300  19.28   3.61  -3.82  -1.42 
1 1 1   11    3    8 o   25.535   1.2429   25.700 -10.1000   1.96 -11.96   3.41   1.01 
1 1 1   11    3    9 o   47.900   1.8212   27.709   3.7000  18.11   2.05  -5.65  -1.68 
1 1 1   11    3   10 o   67.101   0.5619   63.023 -54.2000   0.61  -0.94  -0.40   0.85 
1 1 1   11    3   11 o   24.037   0.5999   16.349  110.000  -0.17   3.14   0.99   0.01 
1 1 1   11    3   12 o   37.670   0.7810   51.531  170.000  -6.62  -0.40  -1.84  -0.37 
1 1 1   11    3   13 o   68.413   1.3141   75.131 -86.8000   1.20 -15.23   3.57   0.20 
1 1 1   11    3   14 f   25.607   0.7284   13.255 -152.0000  -7.34   5.72  -0.78   4.02 
1 1 1   11    3   15 o   36.795   0.6998   23.647  131.800   2.88   5.39   1.15  -2.34 
1 1 1   11    3   16 o   36.117   1.5484   39.806 -93.7000 -15.73 -25.53   3.88  -8.78 
1 1 1   11    3   17 o   26.168   1.8813   14.723 -40.3000  73.41 -12.43 -20.38   6.58 
1 1 1   11    3   18 o   33.161   1.0188   27.419 -163.5000  -6.80  -8.48   0.78  -2.41 
1 1 1   11    3   19 o   17.512   0.5565   22.995 -133.4000  -5.55   4.08  -1.19   2.93 
1 1 1   11    3   20 o   25.424   0.1772   21.468   88.300  -0.25   0.30   0.24   0.17 
1 1 1   11    3   21 o   15.835   0.7509   20.324   63.700   9.93   7.97  -0.83  -2.95 
1 1 1   11    3   22 o   11.714   0.1935   6.6814 -64.0000   1.52  -0.20  -9.73  -4.49 
1 1 1   11    3   23 o   13.760   0.4038   15.720 -32.7000   3.97   1.88  -1.81  -3.26 
1 1 1   11    3   24 o   10.779   0.2286   8.2050   20.800   0.13  -0.02  -0.02   0.01 
1 1 1   11    3   25 o   37.730   0.7634   30.032 -75.9000  -1.05  -3.12   0.89  -0.25 
1 1 1   11    3   26 o   16.081   0.1949   17.085  -9.2000  -0.08   0.26   0.10  -0.18 
1 1 1   11    3   27 o   23.156   0.5620   24.553  157.900  -0.90   2.35   0.19   0.28 
1 1 1   11    3   28 o   11.825   0.2433   18.435 -112.9000   2.37  -1.07  -2.38   1.22 
1 1 1   11    3   29 f   12.988   0.2461   17.052   72.200   2.40   1.38  -3.14  -2.06 
1 1 1   11    3   30 o   15.931   0.2330   16.073   48.600   0.15   0.79   0.41   1.74 
1 1 1   11    3   31 o   3.1669   0.7152   7.7841 -73.2000  -0.42  -0.14  -0.69   0.09 
1 1 1   11    3   32 o   6.8081   0.4346   6.8741  -6.3000   0.29   0.80   0.10  -0.15 
1 1 1   11    3   33 o   4.4278   0.6205   7.6279 -164.3000  -0.07   0.27   0.02   0.04 
1 1 1   11    4    0 o   40.198   0.2902   37.255   90.900   0.00   0.17   0.00   0.00 
1 1 1   11    4    1 o   12.867   0.7849   31.000 -18.4000   5.60  10.29   2.42  -3.63 
1 1 1   11    4    2 o   53.861   1.0311   52.042 -124.4000  -5.74  -7.73   0.62  -2.63 
1 1 1   11    4    3 o   60.417   0.2793   58.797  105.800  -0.26  -0.84   0.31  -0.10 
1 1 1   11    4    4 o   44.750   1.1457   34.785   77.500   2.59   2.17  -0.11  -0.43 
1 1 1   11    4    5 f   54.977   2.0402   51.370 -141.3000  -5.44 -22.47   4.61  -2.08 
1 1 1   11    4    6 o   20.499   0.8264   24.874 -53.3000  -4.32  -3.63  -0.35  -1.61 
1 1 1   11    4    7 o   27.575   1.1591   31.700  159.200  -8.54 -14.31   3.27  -6.71 
1 1 1   11    4    8 o   57.972   0.2801   58.811 -49.8000  -0.37   0.42  -0.44   0.49 
1 1 1   11    4    9 o   91.664   0.4673   84.672   74.200   0.42   0.43  -0.45   0.29 
1 1 1   11    4   10 o   23.076   0.2296   6.6782   10.100   0.11  -0.13   0.66  -0.14 
1 1 1   11    4   11 o   22.226   2.1026   18.847 -56.7000   4.19 -25.09   5.74   2.15 
1 1 1   11    4   12 o   51.902   0.5209   38.402  -5.0000   4.55   1.95  -1.04  -1.50 
1 1 1   11    4   13 o   30.873   0.6848   36.679 -65.7000   1.42  -4.60   1.18   0.68 
1 1 1   11    4   14 o   15.404   0.4562   16.261  -6.2000   2.81  -1.24  -0.84   1.09 
1 1 1   11    4   15 o   38.208   1.1534   45.656   32.100   6.38  24.22   8.01  -3.90 
1 1 1   11    4   16 o   11.895   0.4019   9.6239 -23.6000  -1.75  -2.95   0.57  -1.21 
1 1 1   11    4   17 o   47.720   0.4001   44.899  175.600  -4.49 -16.51  17.87  -6.08 
1 1 1   11    4   18 o   15.682   0.4004   17.187 -160.6000   0.84   1.04   0.05  -0.16 
1 1 1   11    4   19 o   10.528   0.1727   19.785   15.400  -0.03   1.09   1.61  -0.28 
1 1 1   11    4   20 o   6.1406   0.7712   9.2763 -83.1000   8.54   4.26  -1.95  -2.74 
1 1 1   11    4   21 o   38.999   0.6648   35.910 -42.0000  -5.93 -26.30   9.56  -6.23 
1 1 1   11    4   22 o   12.922   1.0682   6.0716  174.300 -19.09  -6.25  -5.18  -4.20 
1 1 1   11    4   23 o   17.626   1.6451   16.916 -131.5000 -22.49 -30.33   2.78  -8.04 
1 1 1   11    4   24 o   14.961   0.1984   12.997  135.000   0.10  -0.02  -0.03  -0.03 
1 1 1   11    4   25 f   7.0452   0.5433   3.9692 -11.4000  -2.45  -4.20   0.57  -1.20 
1 1 1   11    4   26 o   8.4024   0.2817   8.7818   8.0000   1.26   1.01   0.34  -1.62 
1 1 1   11    4   27 o   26.446   0.9963   25.713 -173.1000 -11.79   0.03  -2.03  -0.30 
1 1 1   11    4   28 o   3.9263   0.5508   3.6688  132.900   0.28   0.94   0.78  -1.37 
1 1 1   11    4   29 o   12.947   0.5840   16.924 -145.8000  -5.87  -2.63  -1.46  -1.19 
1 1 1   11    4   30 o   9.0039   0.6002   7.0950   36.100   3.20  -0.07  -0.54   0.10 
1 1 1   11    4   31 o   14.878   0.3716   13.733   44.800  -1.83   3.65   0.52   1.47 
1 1 1   11    4   32 o   5.4391   0.4788   6.5536  157.200   1.15   0.55  -0.16  -0.38 
1 1 1   11    4   33 o   6.6275   0.4493   6.3532 -151.5000  -0.33  -0.05   0.54   0.33 
1 1 1   11    5    0 o   84.658   0.5189   71.903   90.100   0.00   0.31   0.00   0.00 
1 1 1   11    5    1 f   19.093   0.5631   34.459   75.100  -7.71   0.78  -6.43   0.93 
1 1 1   11    5    2 o   50.316   0.5159   55.030 -99.2000   0.59  -1.20   0.16   0.15 
1 1 1   11    5    3 o   25.762   1.7078   34.049 -88.4000  17.69  -6.58  -3.67   3.00 
1 1 1   11    5    4 o   42.076   1.6636   30.317 -163.8000 -15.70  -5.43  -3.41  -2.42 
1 1 1   11    5    5 o   45.419   0.6139   39.686  146.600   0.76   4.19   2.81  -0.54 
1 1 1   11    5    6 o   51.566   1.4791   43.623  139.100   5.69  13.62   2.55  -2.95 
1 1 1   11    5    7 o   41.696   1.6442   33.052  136.500 -24.15 -10.08  -7.75  -8.69 
1 1 1   11    5    8 o   52.602   0.2575   47.640   24.200  -0.27   2.47   3.30   3.90 
1 1 1   11    5    9 o   40.450   1.6324   27.084   5.0000  11.68   4.09  -2.12  -1.97 
1 1 1   11    5   10 o   69.970   1.0416   71.912 -103.4000   4.88  -4.62  -0.84   2.61 
1 1 1   11    5   11 o   42.652   0.9612   35.601  110.000  -5.84   6.95   0.47   1.91 
1 1 1   11    5   12 o   42.813   0.9876   38.829  157.700  -8.81   8.64  -0.29   3.32 
1 1 1   11    5   13 o   58.936   0.6978   40.738 -81.5000  13.27  -2.13 -10.65   5.76 
1 1 1   11    5   14 o   24.579   0.5750   31.229 -156.3000  -5.09  -7.03   1.35  -3.30 
1 1 1   11    5   15 o   30.773   0.4067   28.064  140.700   0.46   1.74   0.82  -0.77 
1 1 1   11    5   16 o   7.1061   0.3926   13.819 -94.4000  -0.25  -1.25   1.71  -1.06 
1 1 1   11    5   17 f   9.1931   1.4225   11.828  147.200 -33.60   4.06 -11.40   2.99 
1 1 1   11    5   18 f   35.503   0.2770   43.445 -177.3000  -0.49  -1.00   1.18  -0.22 
1 1 1   11    5   19 o   4.8837   2.0952   5.7569   25.500 -17.27   9.23  -0.78   1.13 
1 1 1   11    5   20 o   4.1518   0.3630   8.3533 -89.2000   0.30  -0.21  -0.28   0.45 
1 1 1   11    5   21 o   4.8366   1.6792   3.5740 -77.2000  -6.49  -9.35   0.75  -1.88 
1 1 1   11    5   22 o   7.7064   0.2507   15.248  178.100  -1.02  -0.29  -0.52  -0.48 
1 1 1   11    5   23 o   18.263   0.2244   19.423 -44.3000   1.70   0.64  -0.67  -3.97 
1 1 1   11    5   24 o   14.585   0.3562   12.965 -35.6000   2.61  -0.88  -0.39   0.40 
1 1 1   11    5   25 o   23.908   0.8415   18.662 -86.4000   0.94  -6.46   1.68   0.82 
1 1 1   11    5   26 o   8.9840   0.4421   8.9283 -45.1000   2.89   0.00  -1.07  -0.22 
1 1 1   11    5   27 o   19.971   0.5699   20.239 -178.9000  -4.32   7.43   1.01   3.03 
1 1 1   11    5   28 o   14.997   0.3449   10.134   19.200  -0.58   2.25   1.62   0.18 
1 1 1   11    5   29 o   5.4009   0.4847   12.305   61.000  -0.48   0.37  -0.30   0.30 
1 1 1   11    5   30 o   6.2622   0.9209   5.9150 -107.6000   0.16  -3.80   0.60  -0.01 
1 1 1   11    5   31 o   12.226   0.6054   11.565 -86.6000  10.01  -5.08  -3.82   3.66 
1 1 1   11    5   32 o   6.5208   0.5479   7.4942  167.400  -1.90   0.55  -0.42   0.48 
1 1 1   11    5   33 o   6.0643   0.6542   7.6530 -111.9000   0.29  -1.64   0.45  -0.01 
1 1 1   11    6    0 f   17.015   0.2662   49.415 -90.3000  -0.00  -0.00   0.00   0.00 
1 1 1   11    6    1 f   26.129   0.1812   23.498   48.100   0.44  -0.26  -0.11   0.13 
1 1 1   11    6    2 o   44.820   2.2623   25.933 -122.7000  -6.65 -34.90   7.70  -3.36 
1 1 1   11    6    3 o   17.232   0.5074   23.159 -115.5000  -2.40  -2.32   0.07  -2.04 
1 1 1   11    6    4 f   23.130   0.7125   19.287 -165.2000  -2.97  -7.80   5.07  -3.94 
1 1 1   11    6    5 o   46.303   0.8853   29.891 -138.2000   0.94 -12.10   7.40   1.94 
1 1 1   11    6    6 o   22.327   0.2559   20.066   93.100  -0.31   0.29   0.35   0.76 
1 1 1   11    6    7 o   41.830   2.2171   45.770 -139.9000  -5.00 -26.94   5.52  -2.44 
1 1 1   11    6    8 o   35.665   0.2060   45.806 -90.4000  -0.01   0.23   0.11   0.24 
1 1 1   11    6    9 o   55.158   0.7608   65.100   70.700  -2.97   2.74  -0.42   1.36 
1 1 1   11    6   10 o   30.559   0.3656   32.090   46.900   0.52   2.28   0.45  -0.28 
1 1 1   11    6   11 o   9.2004   1.5608   12.060  151.700  -4.87  37.06  17.06   4.33 
1 1 1   11    6   12 o   32.055   0.8900   26.174 -92.0000   1.09 -11.32   3.24   0.81 
1 1 1   11    6   13 o   9.9698   0.7676   11.555 -64.6000   0.64  -8.65   3.84   0.44 
1 1 1   11    6   14 o   9.5184   0.3365   11.573 -161.1000  -1.58   0.73  -0.53   0.74 
1 1 1   11    6   15 o   17.319   0.5639   28.614 -25.2000   1.97  24.19  19.10  -2.23 
1 1 1   11    6   16 o   17.499   1.0542   22.713 -61.9000  12.00 -12.58   0.32   4.09 
1 1 1   11    6   17 o   32.044   0.2433   45.962  152.400   0.89   6.04   8.41  -6.28 
1 1 1   11    6   18 o   11.421   0.6667   9.4108  145.500  -2.40  -5.43   1.06  -1.07 
1 1 1   11    6   19 f   16.584   0.3668   18.070 -49.3000  -1.24  -3.42   0.91  -0.95 
1 1 1   11    6   20 f   15.289   0.1732   16.909 -96.2000  -1.40  -0.27  -2.31   0.11 
1 1 1   11    6   21 o   5.5550   1.2351   7.1513   19.800   2.08  17.73   6.79  -1.40 
1 1 1   11    6   22 o   4.8261   0.8497   11.926  142.100   5.67   0.99  -1.20  -0.39 
1 1 1   11    6   23 o   35.428   0.9629   27.670 -45.1000  -2.00  -4.61   2.28  -1.03 
1 1 1   11    6   24 o   21.220   0.1900   17.793   76.900  -0.38  -0.88   0.10  -0.64 
1 1 1   11    6   25 o   10.597   0.4470   13.635  122.700   0.70  -0.08  -0.06   0.01 
1 1 1   11    6   26 o   1.5515   0.8691   3.0947  101.600   0.11   0.51   0.30  -0.05 
1 1 1   11    6   27 o   12.180   0.2766   9.6882 -80.3000   0.94  -1.70   1.21   0.87 
1 1 1   11    6   28 o   9.7907   1.0557   10.313 -37.4000   6.39  -6.64  -0.03   1.28 
1 1 1   11    6   29 o   5.4058   0.4763   4.7492 -152.6000  -1.01  -0.49  -0.42  -0.28 
1 1 1   11    6   30 o   22.101   0.2116   21.198   66.300  -4.08   4.34  -2.50   5.79 
1 1 1   11    6   31 o   7.9965   0.3723   9.1401   3.0000   0.43  -0.17   0.00   0.33 
1 1 1   11    6   32 o   4.5564   0.6307   9.6501 -115.7000  -1.13  -0.71  -0.29  -0.31 
1 1 1   11    6   33 o   12.874   0.3896   8.0504 -96.4000  -0.39  -1.02   0.17  -0.04 
1 1 1   11    7    0 f   60.632   0.4038   49.112   89.900  -0.00  -0.02   0.00   0.00 
1 1 1   11    7    1 o   27.519   0.6884   49.976  140.800  -4.62  -1.99  -1.22  -1.49 
1 1 1   11    7    2 o   32.072   0.2678   36.896 -69.2000   0.39  -0.61   0.06   0.30 
1 1 1   11    7    3 o   54.892   0.2753   57.071   14.100   0.04  -0.01   0.01  -0.02 
1 1 1   11    7    4 o   26.451   1.7007   22.003   35.400  16.43   5.37  -2.77  -2.15 
1 1 1   11    7    5 f   16.231   0.2955   22.515 -87.7000   0.32   0.57   0.26  -0.27 
1 1 1   11    7    6 o   43.065   0.2260   35.945 -175.8000   0.07   1.50   2.29  -2.33 
1 1 1   11    7    7 o   22.976   0.5429   24.504  146.200  -5.46  -2.89  -3.52  -7.11 
1 1 1   11    7    8 f   42.043   1.5343   56.142   33.000  -0.25  16.23   4.92   0.53 
1 1 1   11    7    9 f   29.039   0.6866   28.166 -154.2000  -7.59  -6.70  -0.55  -3.12 
1 1 1   11    7   10 o   35.931   1.0833   34.257 -122.1000  13.84 -24.54   5.93  10.88 
1 1 1   11    7   11 o   69.952   1.8734   62.141   59.800  23.00   8.05  -3.54  -3.28 
1 1 1   11    7   12 o   39.178   1.1464   38.402  110.700  -7.68  11.90   1.03   2.74 
1 1 1   11    7   13 o   23.345   3.1179   19.185  168.800 -116.69 -10.33 -28.74  -5.55 
1 1 1   11    7   14 o   30.383   0.3427   24.848 -122.7000  -1.98   1.20  -0.40   1.50 
1 1 1   11    7   15 o   24.995   0.7081   20.287 -16.1000   8.17   1.93  -1.47  -0.84 
1 1 1   11    7   16 o   39.967   0.2671   35.677   36.200   1.02   0.23  -1.29   0.92 
1 1 1   11    7   17 o   32.173   0.1936   26.536   88.800  -1.38  -0.75  -5.72  -0.14 
1 1 1   11    7   18 o   45.474   0.2401   47.199 -178.5000  -1.93  -1.99   0.21  -0.61 
1 1 1   11    7   19 o   17.330   2.1198   14.670  149.800 -67.67  25.43 -12.89  10.83 
1 1 1   11    7   20 o   10.657   0.5337   15.662 -38.4000  -2.89  -7.96   2.56  -2.45 
1 1 1   11    7   21 o   13.040   0.7285   8.3013 -58.9000   7.38  -6.87  -0.82   5.10 
1 1 1   11    7   22 o   6.4089   0.3132   7.9048  103.900  -1.11  -0.06  -2.13  -0.99 
1 1 1   11    7   23 o   18.955   0.1964   15.596 -10.9000  -0.51  -1.87   1.23  -4.87 
1 1 1   11    7   24 o   8.1023   0.5567   8.2282   2.3000   3.26   1.72  -0.40  -0.50 
1 1 1   11    7   25 o   16.128   0.3847   10.576  112.400  -1.28   3.58   0.81   0.40 
1 1 1   11    7   26 o   1.2353   0.9354   3.4133   49.500  -0.54  -0.67   0.02  -0.24 
1 1 1   11    7   27 o   11.404   0.2491   14.064 -143.8000  -0.61   0.03  -0.30  -0.15 
1 1 1   11    7   28 o   13.075   0.7186   16.369   63.600   3.88   4.27  -0.06  -1.39 
1 1 1   11    7   29 o   12.049   0.2543   12.927  118.800  -0.02   0.32   0.02   0.01 
1 1 1   11    7   30 o   7.0116   0.4073   2.6305   44.800   0.99   0.01  -1.35   1.27 
1 1 1   11    7   31 o   7.2027   1.2161   4.4633 -88.5000   6.14  -5.42  -0.34   1.54 
1 1 1   11    7   32 o   3.2457   1.4981   3.4179 -170.4000   1.06  -0.81  -0.07   0.16 
1 1 1   11    8    0 o   69.883   0.4521   86.697 -89.6000  -0.00  -0.04   0.00   0.00 
1 1 1   11    8    1 o   50.027   0.4339   44.554  159.100  -0.64  -0.46  -0.40  -0.29 
1 1 1   11    8    2 o   37.127   1.3950   22.212  116.500   0.25   9.74   1.90   0.04 
1 1 1   11    8    3 o   91.472   0.9377   70.725 -71.1000   1.60  -1.42   0.67   0.97 
1 1 1   11    8    4 o   32.297   1.3129   25.077 -95.7000  -1.67  -8.80   1.80  -0.58 
1 1 1   11    8    5 o   28.171   1.4142   38.413  104.800  -3.40  14.87   3.98   1.68 
1 1 1   11    8    6 o   67.731   0.7863   68.292  119.100  -0.78   4.65   1.26   0.13 
1 1 1   11    8    7 o   61.560   0.5346   42.769 -131.6000   1.61  -3.74   3.73   1.50 
1 1 1   11    8    8 o   23.402   1.7637   22.359 -66.4000  -8.25 -48.28  12.72  -4.72 
1 1 1   11    8    9 o   42.527   0.2132   27.881   40.900   0.82  -1.67   1.49   1.00 
1 1 1   11    8   10 o   35.940   1.0936   27.778   61.600  -1.53  18.70   4.16   0.52 
1 1 1   11    8   11 o   41.722   2.4635   43.819  127.200   7.29  67.69  14.13  -3.56 
1 1 1   11    8   12 f   15.977   0.2051   10.255 -161.4000   4.00   0.53  -4.25  -0.68 
1 1 1   11    8   13 o   37.786   1.2644   33.472   15.700   2.53  22.29   6.28  -1.07 
1 1 1   11    8   14 o   5.1712   0.3852   7.7056 -165.0000  -5.54  -0.62  -3.12  -0.62 
1 1 1   11    8   15 o   7.8586   1.0611   10.076 -39.6000  -9.56 -22.04   3.99  -4.36 
1 1 1   11    8   16 o   8.6871   0.4758   8.8636   42.800   2.37   4.29   0.87  -1.54 
1 1 1   11    8   17 o   18.085   1.8072   25.403  122.600  11.94  47.03  11.30  -6.51 
1 1 1   11    8   18 o   11.757   0.2255   6.3361   38.000  -1.36  -0.47  -0.50  -0.55 
1 1 1   11    8   19 o   6.5036   0.5981   7.4902 -175.7000   4.63   1.76  -1.11  -1.10 
1 1 1   11    8   20 o   9.7268   0.6918   18.948 -112.0000  -4.44   3.13  -0.30   1.00 
1 1 1   11    8   21 o   13.768   1.1212   12.547   99.800  -3.16  19.52   5.02   1.95 
1 1 1   11    8   22 o   12.442   0.6584   17.816 -126.4000   0.54   1.44   0.11  -0.07 
1 1 1   11    8   23 o   12.670   1.1491   7.1068 -47.8000   4.67 -28.18   8.89   3.52 
1 1 1   11    8   24 o   21.967   0.3567   17.993   17.800  -1.13   3.71   0.83   0.36 
1 1 1   11    8   25 o   5.9586   0.3867   8.1182  157.600  -0.07   0.11   0.07   0.02 
1 1 1   11    8   26 o   11.933   0.2533   11.551  126.000  -2.08   0.09  -0.99  -0.22 
1 1 1   11    8   27 o   19.128   0.2299   14.555 -46.9000   0.13  -1.75   1.81  -1.45 
1 1 1   11    8   28 o   9.4764   0.3085   8.5678 -126.5000  -0.34  -0.55  -2.34   3.04 
1 1 1   11    8   29 o   8.0603   0.3459   6.6070   14.500  -0.12  -3.54   1.73   0.23 
1 1 1   11    8   30 o   18.024   0.9763   18.127  138.100 -10.56   4.63  -1.43   1.17 
1 1 1   11    8   31 o   6.7305   0.4752   7.0946   99.100  -0.15   0.00  -0.01  -0.06 
1 1 1   11    8   32 o   15.274   0.2715   11.965 -53.1000  -0.69  -0.77  -0.37  -0.28 
1 1 1   11    9    0 f   18.590   0.2860   6.9862   91.300  -0.00  -0.05   0.00   0.00 
1 1 1   11    9    1 o   76.062   0.6143   62.626 -134.4000  -1.92   0.47  -0.86  -0.05 
1 1 1   11    9    2 o   39.886   0.3459   45.182 -79.5000   0.89  -0.01  -0.32   0.13 
1 1 1   11    9    3 o   59.609   1.6851   55.402   32.900   7.20   3.84  -0.43  -0.79 
1 1 1   11    9    4 o   32.268   0.4244   36.724   60.200  -0.17   1.02   0.12   0.06 
1 1 1   11    9    5 o   18.673   1.3506   23.487 -146.0000 -13.02   0.85  -3.41   0.57 
1 1 1   11    9    6 o   13.303   0.3169   21.305  156.600  -2.20  -2.46   0.30  -1.75 
1 1 1   11    9    7 o   32.772   0.1923   36.254   87.500  -1.24   0.25  -1.86   0.08 
1 1 1   11    9    8 o   10.063   0.2322   8.6941   13.000  -1.55  -2.64   2.41  -5.38 
1 1 1   11    9    9 o   42.852   1.0507   44.581 -163.4000  -8.90   4.63  -0.78   1.25 
1 1 1   11    9   10 o   27.931   0.3681   25.031 -163.4000  -2.38  -7.13   8.20  -4.41 
1 1 1   11    9   11 o   44.001   2.2171   41.008   19.100  39.62  18.71  -6.08  -8.11 
1 1 1   11    9   12 o   30.740   0.3285   32.007   60.400  -1.74   3.72   2.01   3.79 
1 1 1   11    9   13 o   22.040   0.8602   25.358  167.600 -22.78 -16.57  -3.30 -11.72 
1 1 1   11    9   14 o   16.815   1.3805   14.351 -144.8000 -62.48  -6.48 -23.18  -4.43 
1 1 1   11    9   15 o   21.216   1.5237   24.163 -20.3000  30.74   9.43  -6.94  -5.09 
1 1 1   11    9   16 o   34.112   0.7719   33.985   60.700  13.93   0.47  -6.65   0.41 
1 1 1   11    9   17 o   23.439   1.2285   16.264 -14.5000  24.98  -2.03  -6.88   0.74 
1 1 1   11    9   18 o   19.984   0.2314   18.219 -142.4000   0.87  -2.80   1.92   2.25 
1 1 1   11    9   19 o   5.6108   2.4135   6.9811 -84.4000 -13.37  -0.24  -1.48  -0.08 
1 1 1   11    9   20 o   9.3020   0.6114   4.7746  -1.2000   7.41   7.54   0.42  -4.95 
1 1 1   11    9   21 o   24.637   0.5584   18.962 -66.8000   9.26  -6.00  -3.01   4.57 
1 1 1   11    9   22 o   12.731   0.2298   11.976   81.600   1.36   1.52  -0.34  -1.67 
1 1 1   11    9   23 o   21.504   0.2964   25.239   6.0000  -0.23   0.96   0.27   0.43 
1 1 1   11    9   24 o   3.4412   0.5907   4.4182 -30.7000  -0.08  -0.02   0.08  -0.08 
1 1 1   11    9   25 f   20.339   0.2094   19.011   84.100   1.94   0.54  -1.53   0.13 
1 1 1   11    9   26 f   8.1419   1.1099   2.2551   25.200  -4.29  -5.56   0.23  -1.28 
1 1 1   11    9   27 o   7.0543   0.3886   8.6267 -126.2000   0.67  -1.53   0.26   0.45 
1 1 1   11    9   28 o   10.507   0.4802   12.191  103.900  -0.18   1.05   0.10   0.01 
1 1 1   11    9   29 o   0.8835   1.0031   4.9474  127.500  -0.39   0.58   0.03   0.09 
1 1 1   11    9   30 o   7.0722   0.4451   6.7138   2.8000   0.64   0.50  -2.05   0.04 
1 1 1   11    9   31 o   12.230   0.4900   10.126   25.800   1.75   0.01  -0.33   0.11 
1 1 1   11    9   32 o   7.1313   0.4847   7.5259 -52.0000   1.88  -1.49  -0.91   1.01 
1 1 1   11   10    0 o   60.849   0.4041   40.460 -88.8000  -0.00  -0.02   0.00   0.00 
1 1 1   11   10    1 o   45.807   1.1102   36.002 -142.4000  -8.11  -0.03  -2.50   0.29 
1 1 1   11   10    2 o   12.796   0.2245   7.3944  138.700   0.09  -0.35   0.97   0.14 
1 1 1   11   10    3 o   47.674   2.3324   58.449 -73.5000  12.84 -55.83  13.95   6.17 
1 1 1   11   10    4 o   15.659   0.2503   21.275 -65.4000  -0.08  -0.87   0.32  -0.09 
1 1 1   11   10    5 o   36.353   1.0773   35.069   65.800  -2.15  17.73   6.01   1.15 
1 1 1   11   10    6 o   39.681   1.3887   33.550  113.000   4.73  20.11   4.49  -2.50 
1 1 1   11   10    7 o   18.816   0.1982   11.285  113.600   0.07   2.35   1.70   0.07 
1 1 1   11   10    8 o   17.963   0.5507   13.419 -18.5000  -1.42 -16.57  18.04  -4.30 
1 1 1   11   10    9 o   58.814   0.7594   44.596 -69.1000  -9.01  -6.25  -2.13  -3.64 
1 1 1   11   10   10 o   11.102   1.5877   10.158 -135.6000   4.43 -37.44  10.69   2.72 
1 1 1   11   10   11 o   23.939   0.3319   19.447  130.000   1.54   4.02   2.60  -3.24 
1 1 1   11   10   12 o   12.683   0.5128   15.390 -100.9000   7.89  -7.10  -0.34   5.58 
1 1 1   11   10   13 o   27.008   0.1844   25.577  -4.1000   0.00   0.16   0.09   0.11 
1 1 1   11   10   14 o   16.231   1.2854   20.239   72.300  12.32  15.05   1.16  -4.85 
1 1 1   11   10   15 o   23.870   0.6146   6.0512 -129.4000  -5.41  -3.88  -0.86  -1.87 
1 1 1   11   10   16 o   6.4220   0.6712   14.404 -89.4000   1.51  -4.45   0.90   0.75 
1 1 1   11   10   17 o   12.252   0.2007   12.341 -37.1000  -4.14  -5.14   3.39  -9.27 
1 1 1   11   10   18 o   10.438   0.8506   0.8560  -3.1000   5.86 -11.78   2.66   3.18 
1 1 1   11   10   19 o   29.945   0.8240   31.039  117.300  -9.73   8.22  -0.11   3.38 
1 1 1   11   10   20 f   8.4422   0.3670   17.050 -126.2000   0.32  -2.45   0.93   0.37 
1 1 1   11   10   21 o   7.8768   0.3087   8.2740   11.000   1.78  -2.07   0.86   2.32 
1 1 1   11   10   22 o   18.076   0.2026   20.224 -41.6000   0.04  -1.59   1.21  -0.55 
1 1 1   11   10   23 o   19.421   0.2011   19.523 -159.1000  -1.23   1.80   9.62   1.37 
1 1 1   11   10   24 o   10.565   0.2793   10.024 -10.0000  -0.15   0.08  -0.10  -0.06 
1 1 1   11   10   25 o   9.8577   0.7931   5.5432 -65.3000   4.66  -1.21  -0.69   0.49 
1 1 1   11   10   26 o   19.729   0.2088   21.031   77.300  -0.25   0.28  -0.20   0.08 
1 1 1   11   10   27 o   11.578   0.2934   11.172 -60.4000   0.38   0.01   0.20  -0.55 
1 1 1   11   10   28 o   11.040   0.6053   12.134 -130.5000  -3.94  -0.44  -0.61  -0.06 
1 1 1   11   10   29 o   13.758   0.4027   9.9828   7.3000   1.41   3.74   0.88  -1.58 
1 1 1   11   10   30 o   25.614   0.2287   16.571 -155.6000  -0.47   1.57   0.02   0.65 
1 1 1   11   10   31 o   14.004   0.6040   11.497  110.000  -0.19   1.00   0.05   0.04 
1 1 1   11   11    0 o   34.716   0.2814   14.012   89.300   0.00   0.03   0.00   0.00 
1 1 1   11   11    1 o   32.385   0.7478   26.551 -162.0000 -19.89   0.11 -11.39  -0.55 
1 1 1   11   11    2 o   83.933   0.3653   63.665 -118.7000  -0.35   0.32  -0.18   0.07 
1 1 1   11   11    3 o   27.717   1.0081   27.379   13.000   9.82   5.86  -0.82  -1.65 
1 1 1   11   11    4 o   48.769   0.6245   45.756   57.700   1.18   1.80   0.12  -0.54 
1 1 1   11   11    5 o   3.8417   0.5295   6.8056 -176.3000   0.33  -0.30  -0.09   0.45 
1 1 1   11   11    6 o   14.289   0.1947   14.910 -109.1000  -0.64   0.17  -0.33   0.12 
1 1 1   11   11    7 o   35.059   0.5909   18.826  101.000 -11.68   9.53  -1.52   5.30 
1 1 1   11   11    8 f   9.3208   0.9229   4.3888   13.200 -10.05  -5.18  -2.07  -2.78 
1 1 1   11   11    9 o   11.388   1.0419   13.974  143.300  -9.44   9.06  -0.06   3.05 
1 1 1   11   11   10 o   34.709   0.2022   32.497  123.000  -4.52  -1.54  -5.03  -7.83 
1 1 1   11   11   11 o   17.544   0.8495   35.439 -83.6000  -5.03  -9.84   1.08  -1.61 
1 1 1   11   11   12 o   20.757   0.2276   28.934   29.000   3.48  -2.50  -0.71   3.94 
1 1 1   11   11   13 o   12.823   1.4548   11.492 -146.3000 -12.47 -20.49   2.58  -4.69 
1 1 1   11   11   14 o   11.588   1.0917   29.616 -158.9000 -18.11   5.46  -5.05   3.59 
1 1 1   11   11   15 o   5.0044   0.4392   4.5099   33.600   0.51  -1.22   0.21   0.19 
1 1 1   11   11   16 f   18.474   0.5046   18.376  140.200 -11.33   1.31 -10.60   1.14 
1 1 1   11   11   17 o   22.274   0.6089   21.778 -41.8000   6.65  -1.94  -2.81   1.20 
1 1 1   11   11   18 o   9.7177   0.6341   12.932 -73.4000   6.92  -3.47  -1.51   1.77 
1 1 1   11   11   19 o   9.8049   0.2589   7.5652 -48.9000  -2.53   0.27  -5.63  -0.71 
1 1 1   11   11   20 o   24.507   1.0482   26.011 -144.1000 -13.04 -10.07  -1.27  -3.38 
1 1 1   11   11   21 o   24.067   0.1962   21.447 -99.6000  -1.44  -0.23  -1.79   1.23 
1 1 1   11   11   22 o   13.673   0.3007   8.0754   92.300   2.11   1.59  -1.12  -1.75 
1 1 1   11   11   23 o   25.344   0.3372   23.825   26.900   2.71   0.61  -0.52  -0.78 
1 1 1   11   11   24 o   4.4914   0.7854   5.8862 -130.1000   0.09  -0.10   0.00   0.00 
1 1 1   11   11   25 o   8.1466   1.0410   9.6710  122.400  -9.42   3.38  -1.71   1.20 
1 1 1   11   11   26 o   5.4487   0.5494   2.7124 -74.4000   3.12  -0.03  -1.11  -0.19 
1 1 1   11   11   27 o   8.8122   0.3681   5.3684 -153.8000  -0.80   0.26  -0.10   0.84 
1 1 1   11   11   28 o   22.618   0.2198   17.276  155.200  -1.93   2.00   0.33   0.71 
1 1 1   11   11   29 o   6.6867   1.1147   8.5808 -20.2000   0.82  -1.96   0.16   0.12 
1 1 1   11   11   30 o   7.7841   0.4413   5.7975 -89.1000  -0.15   0.58  -0.11   0.62 
1 1 1   11   11   31 o   0.0000   2.3979  ?   ?    0.07  -0.25   0.09   0.01 
1 1 1   11   12    0 o   18.902   0.2557   11.433 -88.7000   0.00   0.04   0.00   0.00 
1 1 1   11   12    1 o   13.790   1.8740   4.9391 -153.1000 -37.67  34.44  -1.14  15.34 
1 1 1   11   12    2 f   18.846   0.5567   21.315 -66.0000  -0.35  -6.10   3.68  -0.75 
1 1 1   11   12    3 o   11.915   0.3114   15.874   7.6000   2.70  -3.19   1.74   6.13 
1 1 1   11   12    4 o   7.6832   0.3133   13.198  -2.4000   0.96  -0.77  -0.21   0.67 
1 1 1   11   12    5 o   23.316   1.4630   18.052 -68.3000   6.01 -31.02   6.73   2.93 
1 1 1   11   12    6 o   15.469   0.9445   24.006   89.200   5.72  12.82   3.73  -4.49 
1 1 1   11   12    7 f   25.193   0.3527   16.221  104.400  -4.05  -0.51  -0.91  -0.32 
1 1 1   11   12    8 o   7.4063   0.3178   16.577  150.000   0.01  -5.70  14.01  -1.41 
1 1 1   11   12    9 o   38.879   0.2136   29.620 -60.2000   1.22   0.74   0.59  -2.41 
1 1 1   11   12   10 o   20.194   1.0137   16.859 -20.7000   7.86 -31.78   7.98   4.50 
1 1 1   11   12   11 f   14.308   0.2687   22.090 -145.7000  -1.13  -1.03   0.02  -0.43 
1 1 1   11   12   12 o   38.998   0.3642   44.118 -84.4000   0.32  -0.74   0.20   0.07 
1 1 1   11   12   13 o   27.478   1.0518   15.826   59.800   6.39  12.27   2.18  -3.79 
1 1 1   11   12   14 o   38.145   0.3405   48.722   65.100  -0.92   3.27   1.00   1.26 
1 1 1   11   12   15 o   7.1648   1.2714   5.6061 -85.9000  -9.93 -19.18   3.94  -5.87 
1 1 1   11   12   16 o   32.641   0.7448   35.278 -78.5000   0.86  -1.54   0.05   0.14 
1 1 1   11   12   17 o   8.8001   1.0671   13.712  -0.5000  12.36  -3.19  -2.31   1.40 
1 1 1   11   12   18 o   13.584   0.2144   11.896  -8.4000  -0.16   1.82   1.58   0.90 
1 1 1   11   12   19 o   21.922   0.6488   21.675  136.900  -5.64   3.02  -0.80   1.88 
1 1 1   11   12   20 o   28.402   0.2331   32.632 -125.1000  -0.45  -1.35   1.21   0.30 
1 1 1   11   12   21 o   9.6806   0.4380   8.4003   46.000  -2.87  10.70   7.70   5.85 
1 1 1   11   12   22 o   15.102   0.4669   11.246   10.300   1.48   2.99   0.97  -0.67 
1 1 1   11   12   23 o   14.380   0.6419   16.289 -170.6000  -3.67   3.73   0.25   1.32 
1 1 1   11   12   24 o   18.506   0.2185   19.430 -106.7000   1.05  -0.94   0.18   0.45 
1 1 1   11   12   25 o   3.6078   0.6985   5.7098  176.200   0.15  -0.01  -0.01   0.16 
1 1 1   11   12   26 o   9.9207   0.3388   10.942   65.600   1.30  -1.44  -0.28   0.93 
1 1 1   11   12   27 o   12.024   0.3050   9.7602 -65.7000   0.90  -0.18  -0.62  -0.22 
1 1 1   11   12   28 o   9.2764   0.5511   9.8191 -109.4000  -2.37   0.27  -0.77  -0.08 
1 1 1   11   12   29 o   6.1267   0.6851   6.5710   25.800   0.88  -0.66  -0.00   0.13 
1 1 1   11   12   30 o   12.152   0.3344   7.7013  172.900   0.41  -0.30   0.34  -0.31 
1 1 1   11   13    0 o   12.211   0.3230   6.8496 -95.9000   0.00   0.08   0.00   0.00 
1 1 1   11   13    1 o   26.535   0.1830   17.276  121.700  -0.45   0.44  -6.76  -2.75 
1 1 1   11   13    2 o   30.345   0.4725   25.300 -136.0000  -3.08  -3.11  -0.31  -2.16 
1 1 1   11   13    3 o   14.958   0.2068   16.675   88.900   0.24  -0.13  -2.37  -1.25 
1 1 1   11   13    4 o   15.555   0.2235   19.519   54.300   2.19  -2.07  -0.12   0.89 
1 1 1   11   13    5 o   8.1934   1.0323   16.542  107.500   9.84   8.62  -0.50  -3.21 
1 1 1   11   13    6 o   10.576   0.4062   3.4045  -3.2000   5.90   0.52  -3.22  -0.38 
1 1 1   11   13    7 o   11.561   1.1129   11.597 -167.0000 -27.49  -0.82  -7.84  -0.63 
1 1 1   11   13    8 o   31.507   0.3769   15.791  141.500  -1.62  -1.02  -0.25  -0.35 
1 1 1   11   13    9 o   9.3077   0.7555   10.568  170.800  -6.21   0.46  -1.85   0.37 
1 1 1   11   13   10 o   8.3450   0.8599   4.8697 -44.0000   0.62  -0.27  -0.01   0.01 
1 1 1   11   13   11 o   26.794   0.6499   17.248 -115.6000 -11.27   7.11  -2.58   4.30 
1 1 1   11   13   12 o   19.827   0.9146   16.531 -15.9000   7.24   0.88  -0.83  -0.26 
1 1 1   11   13   13 o   21.963   0.7505   14.942   25.900   8.34   3.42  -1.70  -1.41 
1 1 1   11   13   14 o   15.967   0.6664   10.144  174.400  -4.76   2.37  -0.53   0.85 
1 1 1   11   13   15 o   14.421   0.2143   16.793   66.800   0.29   0.29   0.61   3.10 
1 1 1   11   13   16 o   14.770   0.3385   17.252 -144.7000  -5.03   2.53  -2.19   2.14 
1 1 1   11   13   17 o   9.1002   0.2970   13.047 -123.1000  -1.25  -0.12  -1.33   0.21 
1 1 1   11   13   18 o   20.646   0.7941   19.347 -21.1000   6.35   1.40  -1.01  -0.64 
1 1 1   11   13   19 o   16.162   0.2121   11.691 -78.9000   2.78   0.11  -3.85   1.63 
1 1 1   11   13   20 o   27.469   0.2175   20.738 -119.2000  -0.52  -0.33  -0.37   1.11 
1 1 1   11   13   21 o   3.2215   1.1964   3.9357 -87.2000  -0.13  -0.74   0.05  -0.01 
1 1 1   11   13   22 o   8.8345   0.6578   13.485   2.6000   4.60   1.58  -1.35  -0.71 
1 1 1   11   13   23 o   7.7535   0.3642   5.2192  103.600   0.70  -0.14  -1.47  -1.96 
1 1 1   11   13   24 o   4.8888   0.9895   0.7051 -49.5000  -0.90  -2.20   0.19  -0.23 
1 1 1   11   13   25 o   9.0257   1.0010   10.689  145.600  -6.50  -0.47  -1.13  -0.31 
1 1 1   11   13   26 o   8.0921   0.8505   3.7850   72.400   5.96  -1.35  -1.49   0.46 
1 1 1   11   13   27 f   2.6133   0.9335   2.7746 -97.0000  -0.18  -0.06  -0.12   0.15 
1 1 1   11   13   28 o   10.904   0.3308   9.8669  130.000  -1.31   0.18  -1.25  -1.69 
1 1 1   11   13   29 o   2.3812   1.1409   3.9952   73.900  -0.25  -0.15  -0.02  -0.02 
1 1 1   11   14    0 o   34.232   0.2868   20.880 -90.3000   0.00   0.30   0.00   0.00 
1 1 1   11   14    1 o   30.935   0.6583   27.182   38.700  28.13  -7.49  -8.59   4.32 
1 1 1   11   14    2 f   18.583   1.1272   17.857 -37.0000   2.08 -38.09  16.85   1.29 
1 1 1   11   14    3 o   18.534   0.5239   16.286 -107.6000  11.96  -5.32  -6.04   7.76 
1 1 1   11   14    4 o   25.794   0.3993   28.285 -118.4000  14.84 -20.72   4.75  18.09 
1 1 1   11   14    5 o   17.080   1.2473   14.902 -56.6000  21.15 -20.07  -0.39   5.28 
1 1 1   11   14    6 o   21.812   0.7514   24.536 -29.7000   8.10   6.93  -1.40  -5.25 
1 1 1   11   14    7 o   23.355   1.2061   22.954   5.3000  10.42  10.48  -0.14  -2.75 
1 1 1   11   14    8 o   17.165   0.9122   19.247 -156.4000   0.34 -14.58   5.45  -0.08 
1 1 1   11   14    9 o   26.417   0.5093   20.696   24.400  -0.70   6.07   2.16   0.84 
1 1 1   11   14   10 o   7.8357   0.4656   5.5506 -57.9000   1.82  -0.44  -0.30   0.13 
1 1 1   11   14   11 o   17.735   0.4129   19.461 -92.5000  -1.11   0.09  -0.10   0.03 
1 1 1   11   14   12 o   25.365   0.5624   29.096 -43.9000   0.56  -6.05   1.45   0.47 
1 1 1   11   14   13 o   23.783   1.1536   13.281   89.700  10.98  20.44   2.97  -5.36 
1 1 1   11   14   14 o   27.326   0.2098   28.643  127.700  -1.19  -0.54   0.87  -2.22 
1 1 1   11   14   15 o   14.814   0.6403   21.008 -19.3000  -9.23 -16.48   4.93 -10.05 
1 1 1   11   14   16 f   24.542   0.1961   23.240 -32.5000   1.11   0.57   0.61  -1.78 
1 1 1   11   14   17 o   22.035   0.8238   20.481   47.600   7.88   3.83  -1.24  -1.21 
1 1 1   11   14   18 o   7.5779   0.3770   6.5729   80.200  -1.99   1.27  -0.24   0.82 
1 1 1   11   14   19 o   10.689   0.9021   11.489 -173.7000  -8.93  13.27   2.20   4.52 
1 1 1   11   14   20 o   18.036   0.7076   13.567 -141.7000  -4.74  -7.93   1.92  -2.23 
1 1 1   11   14   21 o   12.384   0.6163   10.364   62.000  -1.20   7.12   1.93   1.09 
1 1 1   11   14   22 o   3.9520   0.6085   3.7782 -144.4000  -0.19  -0.41   0.02  -0.03 
1 1 1   11   14   23 o   6.5726   0.5096   7.4054 -141.2000  -2.39  -0.94  -0.63  -0.40 
1 1 1   11   14   24 o   24.503   0.9223   20.986 -57.7000   6.82  -5.61   0.01   1.30 
1 1 1   11   14   25 o   5.1284   1.4832   5.9913 -97.4000  -1.88   0.17  -0.11   0.01 
1 1 1   11   14   26 f   0.0000   2.2606  ?   ?   -0.19   0.00   0.02   0.42 
1 1 1   11   14   27 o   1.7685   1.0030   7.5063 -85.5000  -0.08  -0.07  -0.10   0.05 
1 1 1   11   14   28 o   8.0062   0.4631   9.6985 -50.5000  -1.65  -0.44  -0.41  -0.78 
1 1 1   11   14   29 o   0.0000   2.5061  ?   ?    0.06   0.31   0.04  -0.01 
1 1 1   11   15    0 o   5.5946   0.5655   7.0279 -85.5000   0.00   0.08   0.00   0.00 
1 1 1   11   15    1 o   25.675   0.1956   34.864   47.600   0.39  -0.50  -0.13   0.37 
1 1 1   11   15    2 o   16.300   0.3400   21.117 -60.8000   3.76   1.79  -1.12  -1.82 
1 1 1   11   15    3 f   6.6294   0.6367   9.1092   71.100  -3.88  -1.31  -1.21  -0.81 
1 1 1   11   15    4 o   5.5363   1.1288   6.0388  -5.9000   8.82  -1.03  -2.62   0.53 
1 1 1   11   15    5 o   21.901   0.4740   27.046  141.300  -2.52   3.23   0.11   0.79 
1 1 1   11   15    6 o   16.150   0.2004   17.108 -24.5000  -0.36  -0.03  -0.37  -0.81 
1 1 1   11   15    7 o   27.838   0.1908   14.182 -128.0000  -0.31  -0.50   0.26  -0.12 
1 1 1   11   15    8 o   38.195   0.4847   30.657  141.200  -3.01   1.99  -0.47   0.61 
1 1 1   11   15    9 o   12.515   1.1283   15.623 -72.2000  18.94   5.51  -4.07  -2.81 
1 1 1   11   15   10 o   6.9270   1.1496   3.9707 -82.0000  -7.04  -1.76  -1.11  -0.54 
1 1 1   11   15   11 o   4.4266   0.5003   7.1469  113.000  -0.35  -0.15  -0.06  -0.10 
1 1 1   11   15   12 o   28.231   0.2978   22.728 -109.9000   1.54  -1.19  -0.72   0.78 
1 1 1   11   15   13 o   27.468   0.1946   20.900   78.300  -0.17   0.09   0.10   0.03 
1 1 1   11   15   14 o   23.688   0.1973   31.067   85.200  -2.36   0.95  -2.94   0.57 
1 1 1   11   15   15 o   24.513   0.1957   21.501   99.600  -2.69  -0.99  -1.88  -0.42 
1 1 1   11   15   16 o   23.337   1.0082   25.139 -129.9000  -8.01  -3.53  -0.62  -0.84 
1 1 1   11   15   17 o   27.726   0.5063   24.274 -152.1000  -5.39   3.74  -0.22   1.73 
1 1 1   11   15   18 o   11.943   0.6749   11.270  -5.9000   8.27   5.18  -1.00  -2.68 
1 1 1   11   15   19 f   10.204   0.8244   4.8992 -21.9000   4.94  -4.60   0.10   1.50 
1 1 1   11   15   20 o   8.6792   0.9252   11.152 -99.5000   0.73  -5.25   0.68   0.27 
1 1 1   11   15   21 o   15.021   0.5386   11.902   67.300   0.87   2.97   0.49  -0.52 
1 1 1   11   15   22 o   7.8041   1.4270   13.488   18.000  16.89   1.15  -3.95  -0.26 
1 1 1   11   15   23 o   3.0287   0.8075   5.8886  178.100  -0.47  -0.18  -0.11  -0.04 
1 1 1   11   15   24 o   3.8468   0.9908   3.9775  133.300   0.43   1.03   0.10  -0.07 
1 1 1   11   15   25 o   16.715   0.5239   11.488  137.000  -6.77  -1.81  -2.22  -2.33 
1 1 1   11   15   26 o   7.7381   1.1463   5.0683 -143.5000  -3.64  -0.05  -0.43   0.06 
1 1 1   11   15   27 o   8.2856   0.7968   7.2760   37.500   1.19   1.16   0.04  -0.17 
1 1 1   11   15   28 o   0.7135   1.1347   6.8033   86.100   1.68   0.63  -0.33  -0.17 
1 1 1   11   16    0 o   11.709   0.3159   6.7810   91.400  -0.00  -0.02   0.00   0.00 
1 1 1   11   16    1 o   6.9158   0.6132   7.6809   74.500  -2.53  -1.11  -0.48  -0.45 
1 1 1   11   16    2 o   9.9563   1.4829   5.5739 -83.9000  -5.15  31.47   8.24   3.02 
1 1 1   11   16    3 o   36.821   1.3170   29.249 -64.2000  19.39 -15.21  -0.76   5.09 
1 1 1   11   16    4 o   19.244   1.2875   20.016  164.600 -26.24  21.92  -1.29   9.64 
1 1 1   11   16    5 o   24.093   0.5061   18.452 -53.8000   9.27   5.19  -2.22  -5.15 
1 1 1   11   16    6 o   40.709   0.2260   37.437 -54.0000  -4.48  -1.13  -2.61  -4.81 
1 1 1   11   16    7 o   22.607   0.5034   16.524   38.900  -0.02   6.59   2.39  -0.33 
1 1 1   11   16    8 o   8.4181   0.5100   8.8076 -179.3000  -1.91   0.56  -0.28   0.23 
1 1 1   11   16    9 o   3.0010   0.8017   7.9350 -130.6000  -0.37  -2.01   0.76  -0.38 
1 1 1   11   16   10 o   14.959   0.2226   11.687 -44.6000   0.61   0.41   0.10  -0.59 
1 1 1   11   16   11 o   16.886   0.2153   17.183 -62.2000  -2.47  -0.38  -0.68  -0.07 
1 1 1   11   16   12 o   14.600   0.4077   12.905  -2.9000  -1.52  -3.44   1.90  -1.31 
1 1 1   11   16   13 o   17.589   0.7905   18.652 -168.0000  -3.06 -12.98   3.73  -1.42 
1 1 1   11   16   14 o   8.7766   0.5997   6.2092 -173.3000  -0.74  -6.66   3.25  -0.32 
1 1 1   11   16   15 o   14.425   0.2653   12.713   24.800   1.66   0.99  -0.13  -1.33 
1 1 1   11   16   16 o   28.488   0.4543   35.846  -3.1000   5.87 -15.73  10.90   5.44 
1 1 1   11   16   17 o   8.9468   0.4506   10.737   56.400   3.84   1.31  -1.32  -0.74 
1 1 1   11   16   18 o   3.3100   0.9403   5.8354   75.400  -0.72   0.27  -0.05   0.06 
1 1 1   11   16   19 f   0.0000   1.9848  ?   ?   -0.06  -0.01   0.16   0.15 
1 1 1   11   16   20 o   5.6216   0.4950   5.5981  179.300  -0.60  -0.35   1.24  -1.54 
1 1 1   11   16   21 o   10.943   0.3045   5.7888  106.100  -0.23   0.29   0.47  -0.30 
1 1 1   11   16   22 f   11.517   0.3130   10.938 -139.9000  -2.05  -1.40  -0.62  -0.67 
1 1 1   11   16   23 o   10.795   0.3252   11.754 -91.3000  -0.07  -0.42   0.03  -0.21 
1 1 1   11   16   24 o   19.527   0.6229   16.288  -7.5000   8.21 -12.92   2.97   4.09 
1 1 1   11   16   25 o   25.885   1.1943   20.261   60.300  14.88  14.16  -0.91  -3.64 
1 1 1   11   16   26 o   7.8061   1.0812   2.8741 -106.1000   2.87  -2.49  -0.13   0.41 
1 1 1   11   16   27 o   3.0134   0.9264   3.5054 -143.4000  -0.16  -0.08  -0.03   0.00 
1 1 1   11   17    0 o   0.0000   2.7928   3.8461   92.500   0.00   0.03   0.00   0.00 
1 1 1   11   17    1 o   11.489   1.1045   13.696   55.000  14.74   1.39  -2.64  -0.60 
1 1 1   11   17    2 o   6.5298   0.3907   3.8430 -66.8000  -0.48  -0.67   0.15  -0.28 
1 1 1   11   17    3 o   22.608   0.7365   24.682  116.700  -8.81   2.16  -1.92   0.72 
1 1 1   11   17    4 o   30.171   1.2923   17.938 -28.7000  32.84  -1.33  -7.42  -0.04 
1 1 1   11   17    5 o   7.0505   1.0478   3.5278 -153.2000  -0.95  -3.80   0.36  -0.22 
1 1 1   11   17    6 o   7.4979   0.5231   9.8545  160.300  -2.43   0.69  -0.58   0.27 
1 1 1   11   17    7 o   23.916   0.2005   22.721 -118.3000   1.08  -2.76   1.02   3.07 
1 1 1   11   17    8 o   19.252   0.4327   20.393   80.400   8.52   3.72  -4.63  -3.53 
1 1 1   11   17    9 o   33.376   0.2130   24.722 -35.5000   0.64  -1.02   0.45   0.18 
1 1 1   11   17   10 o   5.9774   0.4308   3.9804  -2.8000   1.35  -0.35  -1.50   0.28 
1 1 1   11   17   11 o   4.5613   0.5629   3.8114   9.8000  -0.73   0.35  -0.16   0.37 
1 1 1   11   17   12 o   16.480   0.5710   14.662 -35.1000   1.26  -0.40  -0.14   0.06 
1 1 1   11   17   13 o   18.401   0.2025   12.434   89.200   0.42  -0.21   0.10   0.29 
1 1 1   11   17   14 o   30.661   0.2752   27.400   86.900  -2.65   1.97  -4.07   1.72 
1 1 1   11   17   15 o   22.910   0.5431   19.546 -178.0000  -8.90   3.87  -1.11   1.61 
1 1 1   11   17   16 o   3.1082   1.4066   0.7341 -143.6000   0.77   1.76   0.33  -0.53 
1 1 1   11   17   17 o   10.209   0.5666   5.2228 -110.3000  -2.29  -2.27   0.19  -0.81 
1 1 1   11   17   18 o   6.1275   0.4559   7.3659   16.500  -0.34  -0.98  -0.57  -3.18 
1 1 1   11   17   19 o   6.3502   0.4467   9.6681  103.400   0.38   0.34   0.21  -0.30 
1 1 1   11   17   20 o   16.381   0.2877   19.441 -53.0000   0.44   0.67  -0.02  -0.16 
1 1 1   11   17   21 f   2.6688   0.8394   4.3836   1.3000   0.12  -0.23  -0.15   0.22 
1 1 1   11   17   22 o   11.315   0.3269   14.273   52.800   4.39   1.39  -3.47  -0.85 
1 1 1   11   17   23 o   12.805   0.2808   11.587  126.600  -0.51   0.13  -0.04   0.21 
1 1 1   11   17   24 o   13.329   0.2957   11.286  155.500  -1.31  -1.22  -1.43  -0.89 
1 1 1   11   17   25 o   11.068   0.3642   6.7682  117.000  -1.12   0.63  -0.53   0.15 
1 1 1   11   17   26 o   0.0000   2.3830  ?   ?    0.27  -0.06  -0.12  -0.09 
1 1 1   11   18    0 o   8.5206   0.4877   3.0892   88.900  -0.00  -0.16   0.00   0.00 
1 1 1   11   18    1 o   9.6552   0.2980   4.6116   68.900  -0.34   0.00   1.60  -1.57 
1 1 1   11   18    2 o   13.507   0.3701   9.5630 -150.6000  -3.82   1.57  -1.82   1.23 
1 1 1   11   18    3 o   16.270   0.7633   23.472 -49.7000   3.48  -8.08   1.40   1.23 
1 1 1   11   18    4 o   14.528   0.4266   10.496  105.200  -4.14  -1.86  -0.89  -0.76 
1 1 1   11   18    5 o   4.6316   0.5692   4.6985 -147.1000  -0.62  -0.63  -0.45  -1.02 
1 1 1   11   18    6 o   25.411   0.8898   22.795  -8.3000  10.87   5.58  -1.37  -1.51 
1 1 1   11   18    7 o   7.7154   0.8454   6.1288  113.300   3.56  10.51   3.10  -2.78 
1 1 1   11   18    8 o   9.7729   0.6038   10.982 -139.3000  -5.05  -3.06  -0.76  -1.18 
1 1 1   11   18    9 o   10.598   0.7070   9.0667 -99.4000   4.21  -5.55   0.55   1.41 
1 1 1   11   18   10 o   16.967   0.7599   19.250   33.700  -2.16  12.47   4.59   2.40 
1 1 1   11   18   11 o   5.2074   0.5718   4.2939   59.000  -0.02  -2.10   0.48  -0.07 
1 1 1   11   18   12 o   14.207   0.2524   13.898 -179.7000   3.91  -1.69  -0.73   1.16 
1 1 1   11   18   13 o   19.127   0.6327   17.055 -80.6000   0.72  -4.84   1.15   0.63 
1 1 1   11   18   14 o   6.9344   1.2193   6.1490 -24.5000   4.60  -6.10   0.28   1.88 
1 1 1   11   18   15 o   6.2041   0.4514   10.128  144.600  -0.11  -0.04   0.06  -0.04 
1 1 1   11   18   16 o   10.672   0.9624   11.501   29.600  -3.55  12.63   3.29   2.62 
1 1 1   11   18   17 o   16.779   0.4256   20.022 -38.1000   1.54  -3.66   2.14   0.85 
1 1 1   11   18   18 f   10.141   0.8502   5.3577   54.200   1.47   5.33   0.61  -0.27 
1 1 1   11   18   19 f   7.8301   0.3960   9.9735   98.600   0.62   0.94   0.15  -0.17 
1 1 1   11   18   20 o   10.164   0.4395   12.334 -129.5000  -2.15  -4.33   1.52  -1.11 
1 1 1   11   18   21 o   8.7582   0.4192   6.0745 -90.3000  -0.60  -0.45   0.35  -0.43 
1 1 1   11   18   22 o   0.0000   2.1951  ?   ?    0.31   0.10  -0.03  -0.33 
1 1 1   11   18   23 o   7.2815   0.4999   12.005 -73.1000  -0.06  -1.02   0.24  -0.19 
1 1 1   11   18   24 f   7.6563   0.9854   7.9387   88.300  -2.95   3.78   0.02   0.90 
1 1 1   11   18   25 o   8.3015   0.4526   10.368  117.900  -0.30   0.48   0.15  -0.49 
1 1 1   11   19    0 o   6.0745   0.6239   6.0570   88.300   0.00   0.01   0.00   0.00 
1 1 1   11   19    1 o   15.453   0.6751   14.136  151.000  -6.50   3.49  -0.70   1.38 
1 1 1   11   19    2 o   19.945   0.1977   20.806  102.300  -0.16   0.81  -2.93  -2.89 
1 1 1   11   19    3 o   17.629   0.8036   17.483   40.000  19.06   1.01  -6.48  -0.05 
1 1 1   11   19    4 o   16.210   0.2228   11.959 -60.2000   1.31  -0.10  -0.82  -0.29 
1 1 1   11   19    5 o   18.182   0.2165   15.612 -96.1000  -1.46  -0.99  -1.76  -0.93 
1 1 1   11   19    6 o   29.029   0.5253   27.567  158.600  -4.86   9.49   1.75   5.18 
1 1 1   11   19    7 f   1.9181   1.0581   8.4129  175.300  -0.61   1.05   0.22   0.28 
1 1 1   11   19    8 o   10.605   0.3192   11.460   18.700   2.76   2.57  -1.09  -2.87 
1 1 1   11   19    9 o   7.8295   1.5917   7.3699  -0.2000  23.48  -8.75  -4.54   4.33 
1 1 1   11   19   10 o   10.242   0.5588   2.6049 -32.4000   4.91   0.43  -1.72  -0.62 
1 1 1   11   19   11 f   15.756   0.2389   8.7899   27.400   0.17  -0.48  -0.25   0.56 
1 1 1   11   19   12 o   9.6177   0.7121   5.0517  162.700  -2.24  -3.58   0.16  -0.51 
1 1 1   11   19   13 o   3.1934   0.9416   3.3757 -107.9000  -0.07  -0.86   0.09  -0.03 
1 1 1   11   19   14 o   1.6853   1.0770   2.2101 -155.9000   0.37  -1.34   0.21   0.10 
1 1 1   11   19   15 o   5.6069   0.5429   5.1428   32.500  -0.03   0.17   0.03  -0.01 
1 1 1   11   19   16 o   8.9515   0.3338   10.332   99.800  -0.26   2.65   2.34  -0.63 
1 1 1   11   19   17 o   7.4625   0.8711   3.1657 -13.6000   6.92  -1.61  -1.33   0.87 
1 1 1   11   19   18 o   5.8894   0.5107   4.4046   1.4000  -1.95  -1.38  -1.52  -1.38 
1 1 1   11   19   19 o   8.8185   0.3740   9.2410  138.800  -0.88  -0.65  -0.11  -0.14 
1 1 1   11   19   20 o   10.076   0.4778   9.2743 -29.9000   2.36  -0.05  -0.51   0.19 
1 1 1   11   19   21 o   2.1547   1.1051   6.3801 -46.1000  -0.34  -0.28  -0.05  -0.07 
1 1 1   11   19   22 o   5.4589   0.6398   6.0080   49.400  -0.24   0.06   0.15   0.09 
1 1 1   11   19   23 o   6.7874   1.5317   2.9953  122.600   1.73   0.64  -0.08  -0.05 
1 1 1   11   19   24 o   3.2150   1.4677   7.4118  166.400  -1.72  -0.27  -0.47   0.02 
1 1 1   11   20    0 o   0.0000   3.0496   4.2425 -93.1000  -0.00  -0.04   0.00   0.00 
1 1 1   11   20    1 f   16.120   0.9268   15.146  110.500   9.80  10.62  -0.22  -4.97 
1 1 1   11   20    2 o   13.687   0.7941   12.901  179.100  -9.75 -13.83   2.67  -5.54 
1 1 1   11   20    3 o   20.077   0.3931   15.558 -99.5000   2.11  -3.91   2.15   1.52 
1 1 1   11   20    4 o   22.571   0.6944   18.605   54.800   1.90  15.97   7.55  -0.33 
1 1 1   11   20    5 o   8.6208   0.3870   5.9165  130.000   1.86   0.37  -0.52  -0.40 
1 1 1   11   20    6 f   15.624   0.2453   18.281   79.800  -0.54   0.05  -0.27  -0.59 
1 1 1   11   20    7 o   8.7900   1.6997   10.697 -129.5000  -7.09 -19.67   3.42  -2.52 
1 1 1   11   20    8 o   8.8368   0.3548   12.689 -102.1000   1.15  -0.87  -1.00   0.98 
1 1 1   11   20    9 o   0.9333   1.0342   5.6910 -28.3000   0.18   0.21  -0.02  -0.06 
1 1 1   11   20   10 o   16.156   0.3561   17.248   72.900  -0.32   1.35   0.20   0.43 
1 1 1   11   20   11 o   13.099   0.5794   11.588  145.400   3.71   6.20   3.32  -3.03 
1 1 1   11   20   12 o   6.8317   0.4408   7.6400   99.300  -0.78   1.20   0.00   0.67 
1 1 1   11   20   13 o   11.242   0.3171   8.0111 -36.3000  -0.23  -0.11   0.21  -0.05 
1 1 1   11   20   14 o   10.436   0.4829   7.8964  127.700  -5.08   2.21  -1.13   2.15 
1 1 1   11   20   15 o   18.326   0.2479   16.379  150.000  -1.21   0.89   2.37  -4.19 
1 1 1   11   20   16 o   3.7106   0.9564   2.5896   92.200   0.18   0.25   0.01  -0.02 
1 1 1   11   20   17 o   10.820   0.7021   10.568 -33.0000  -1.60  -5.90   1.15  -1.08 
1 1 1   11   20   18 o   21.502   0.4964   19.774  136.400   0.52   4.97   0.90   0.09 
1 1 1   11   20   19 o   5.8600   1.1584   7.1955  157.200  -1.11  -1.09  -0.02  -0.11 
1 1 1   11   20   20 o   14.105   0.7472   13.048 -136.7000  -1.56  -6.36   1.12  -0.27 
1 1 1   11   20   21 o   2.5028   1.2027   0.7882 -131.2000   0.12   0.62   0.08  -0.07 
1 1 1   11   20   22 o   3.9695   0.8260   1.4580   4.9000   0.99  -0.03  -0.26  -0.16 
1 1 1   11   20   23 o   0.0000   2.5021  ?   ?    0.21   0.07  -0.01  -0.04 
1 1 1   11   21    0 o   24.700   0.3237   6.3645   91.000  -0.00  -0.74   0.00   0.00 
1 1 1   11   21    1 o   13.009   0.2749   14.261   97.100  -0.64   0.23  -0.25   0.03 
1 1 1   11   21    2 o   9.3338   0.4116   12.171   69.700   1.11  -0.19  -0.23   0.18 
1 1 1   11   21    3 o   14.780   0.2635   14.355   32.900  -1.33   0.71  -2.56   0.06 
1 1 1   11   21    4 o   3.3039   0.7303   4.2961   48.900  -0.11  -0.11   0.13   0.11 
1 1 1   11   21    5 o   15.357   0.4071   13.990 -88.7000  -6.70  -3.11  -3.25  -1.82 
1 1 1   11   21    6 f   11.302   1.0754   5.5372  112.700   7.56   8.54   0.72  -2.55 
1 1 1   11   21    7 o   3.1921   0.7613   4.1984 -113.6000  -0.21  -0.04  -0.06   0.21 
1 1 1   11   21    8 f   2.5022   1.1855   0.6178  108.000   0.29  -1.04   0.13   0.11 
1 1 1   11   21    9 f   13.878   0.4078   7.9275   46.000  12.55  -3.88  -5.45   5.96 
1 1 1   11   21   10 o   16.546   0.2526   15.151   65.500   0.54   0.00  -0.04   0.03 
1 1 1   11   21   11 o   6.3569   0.5270   1.6640 -123.4000  -1.01   1.93   0.54   0.43 
1 1 1   11   21   12 o   8.7171   0.3825   13.820  132.500  -0.25  -0.17   0.14  -0.09 
1 1 1   11   21   13 o   15.344   0.2995   12.680 -106.1000  -4.63  -3.12  -2.57  -2.54 
1 1 1   11   21   14 o   4.2596   0.7009   7.8380 -17.0000   0.76  -1.28   0.25   0.23 
1 1 1   11   21   15 f   7.7313   0.4458   12.417   50.200  -0.64   0.12  -0.32  -0.34 
1 1 1   11   21   16 o   13.410   0.5502   12.935  155.800  -0.36   3.45   0.89  -0.13 
1 1 1   11   21   17 o   1.4486   1.1450   3.5638   51.200  -0.61   0.45  -0.21   0.23 
1 1 1   11   21   18 o   4.4723   0.6873   7.7763  -6.9000   0.83  -0.50  -0.09   0.09 
1 1 1   11   21   19 o   2.1629   1.0355   4.3897 -13.9000   0.30  -0.46  -0.03   0.17 
1 1 1   11   21   20 o   2.7678   1.3153   4.0335   13.500   2.53  -0.79  -0.38   0.40 
1 1 1   11   21   21 o   0.0000   2.3978  ?   ?    0.06   0.01   0.01  -0.01 
1 1 1   11   22    0 o   10.512   0.4336   1.0446   85.300  -0.00  -0.15   0.00   0.00 
1 1 1   11   22    1 o   9.9755   0.4695   11.074  120.300  -0.01   1.90   0.51  -0.25 
1 1 1   11   22    2 o   3.0000   0.8074   5.5959  134.700  -0.52  -0.04   1.51   0.32 
1 1 1   11   22    3 f   18.844   0.4205   12.103 -134.7000   0.14  -2.55   1.27  -0.85 
1 1 1   11   22    4 o   10.461   1.4018   12.472   50.700   3.10  19.87   4.44  -0.94 
1 1 1   11   22    5 o   8.0219   0.4125   7.3219   21.100   1.13   1.44   0.42  -0.57 
1 1 1   11   22    6 f   9.3787   0.5344   9.4670  137.000   1.25   1.12  -0.06  -0.17 
1 1 1   11   22    7 o   8.9042   0.3858   9.5642  144.500  -0.11   1.68   0.76  -0.30 
1 1 1   11   22    8 o   7.2129   0.4248   5.1558 -147.9000  -0.74  -0.08   2.89   1.43 
1 1 1   11   22    9 o   3.5065   0.7967   3.9860 -34.8000  -0.14  -0.27   0.09  -0.01 
1 1 1   11   22   10 o   4.5114   1.3341   7.3438  122.800   0.08   1.10   0.06  -0.02 
1 1 1   11   22   11 o   1.8474   1.1110   1.2837   13.700   0.81   1.36   0.37  -0.39 
1 1 1   11   22   12 o   4.7120   0.6823   2.8424  146.200  -0.34   0.38  -0.04   0.08 
1 1 1   11   22   13 o   11.368   0.3387   10.700  133.100   1.34   2.39   0.10  -0.62 
1 1 1   11   22   14 o   8.1395   0.4408   10.010  154.900  -0.31   1.45   0.37  -0.01 
1 1 1   11   22   15 o   8.1738   0.4826   4.7083  165.400  -0.47  -2.48   1.13   0.15 
1 1 1   11   22   16 o   7.9233   0.5097   6.3722   67.600  -0.55   1.12   0.36   0.09 
1 1 1   11   22   17 f   3.4652   0.8733   5.1386   88.700  -0.04  -0.76   0.19  -0.21 
1 1 1   11   22   18 o   15.221   0.8899   16.322  160.000  -5.51   2.14  -0.53   0.29 
1 1 1   11   22   19 o   14.580   0.3077   14.627 -104.6000   0.73  -0.27   0.31   0.12 
1 1 1   11   22   20 o   0.0000   2.5679  ?   ?    0.02   0.06  -0.06  -0.02 
1 1 1   11   23    0 o   11.683   0.4489   15.948 -89.4000  -0.00  -0.70   0.00   0.00 
1 1 1   11   23    1 o   7.6090   0.7621   6.9408   38.200   4.45  -1.68  -0.75   1.10 
1 1 1   11   23    2 o   8.7121   0.3792   7.4930   39.100  -0.00   0.53   0.11   0.12 
1 1 1   11   23    3 o   8.8447   0.5699   10.228  146.900  -3.33  -2.72   0.08  -1.16 
1 1 1   11   23    4 o   9.4038   0.4147   6.6451  136.300   1.59   2.90   0.21  -1.82 
1 1 1   11   23    5 o   6.7832   0.7635   8.6003 -77.7000   3.32   0.38  -0.73  -0.41 
1 1 1   11   23    6 o   11.255   0.5417   14.421 -100.5000  -6.09  -1.26  -1.82  -0.28 
1 1 1   11   23    7 o   6.9559   0.4774   3.2248 -25.0000   0.12  -0.32  -0.02   0.10 
1 1 1   11   23    8 o   1.0508   1.1138   7.1193 -50.5000   0.14  -0.30   0.01   0.03 
1 1 1   11   23    9 o   6.3936   0.9941   6.3039 -28.9000   3.69  -2.37  -0.17   0.81 
1 1 1   11   23   10 o   5.8341   0.6210   6.1709  166.300  -1.51   0.41  -0.31   0.04 
1 1 1   11   23   11 o   7.3589   1.3356   6.2570 -132.0000   1.33  -6.50   0.89   0.57 
1 1 1   11   23   12 o   12.120   0.3452   16.443 -126.8000   0.43  -1.85   0.35   0.99 
1 1 1   11   23   13 o   14.865   0.5990   8.6776 -101.9000  -5.81  -6.78  -1.04  -4.49 
1 1 1   11   23   14 o   7.2114   0.5207   4.1186   61.400   0.07   0.38   0.02   0.22 
1 1 1   11   23   15 o   4.5581   0.8092   7.5561   1.6000  -0.09   0.36  -0.24  -0.23 
1 1 1   11   23   16 o   15.373   0.3089   16.178 -144.6000  -0.89  -0.04  -0.10   0.10 
1 1 1   11   23   17 o   3.7130   0.9577   3.2580 -13.3000   0.37   0.27  -0.03  -0.03 
1 1 1   11   23   18 o   0.0000   2.4796  ?   ?    0.01   0.12   0.01  -0.06 
1 1 1   11   24    0 o   2.7749   1.1975   6.0032 -89.7000   0.00   0.05   0.00   0.00 
1 1 1   11   24    1 o   10.779   0.4514   8.8701  122.300   1.54   0.14  -0.16  -0.11 
1 1 1   11   24    2 o   6.2404   0.8274   1.5843 -141.0000  -0.21  -6.16   2.25   0.48 
1 1 1   11   24    3 o   13.443   0.2982   15.693 -158.1000  -0.08   0.00   0.01   0.01 
1 1 1   11   24    4 o   6.5719   1.2601   3.8123   4.5000   1.26  -5.45   1.02   0.24 
1 1 1   11   24    5 o   14.015   0.3928   13.051  -0.3000   2.36  -2.96   0.77   0.89 
1 1 1   11   24    6 o   0.0000   2.3393  ?   ?    0.13  -0.03   0.11  -0.06 
1 1 1   11   24    7 o   7.0387   0.5212   2.3278 -171.1000  -0.13   0.40   0.12  -0.06 
1 1 1   11   24    8 f   12.281   0.8263   5.0334 -96.5000  -1.60  -7.49   1.78  -0.29 
1 1 1   11   24    9 o   7.6961   0.5366   8.8545 -136.2000  -0.17  -0.05  -0.01   0.01 
1 1 1   11   24   10 o   7.6815   0.4761   6.7878  164.700   0.87  -1.95   0.63   0.23 
1 1 1   11   24   11 o   2.5316   1.0674   4.7306   83.900   0.41   0.45   0.10  -0.12 
1 1 1   11   24   12 o   8.5496   0.5026   11.183 -92.3000   0.43   0.37   0.14  -0.08 
1 1 1   11   24   13 o   12.270   0.3840   7.5391  101.800  -1.73   0.63  -0.71  -0.21 
1 1 1   11   24   14 o   7.5728   0.5208   6.3947  159.100  -0.73  -0.14  -0.04  -0.07 
1 1 1   11   24   15 o   4.2130   1.8856   4.0799 -20.9000   1.24  -0.99  -0.06   0.13 
1 1 1   11   24   16 f   2.9748   1.3869   4.2920   89.600   0.10  -0.02  -0.00  -0.00 
1 1 1   11   25    0 o   6.7454   0.8612   19.260 -90.7000  -0.00  -0.23   0.00   0.00 
1 1 1   11   25    1 f   4.2666   0.8510   5.2055 -177.1000   0.21   0.06  -0.02   0.07 
1 1 1   11   25    2 o   10.295   0.3852   15.259   50.500  -0.09   0.94  -0.75   0.97 
1 1 1   11   25    3 o   10.750   0.4225   9.2543   82.400  -0.82   1.03   0.64   0.18 
1 1 1   11   25    4 o   9.6175   1.5519   5.2222  137.000  -9.09   2.56  -1.13   0.45 
1 1 1   11   25    5 o   7.7642   0.5005   8.3629 -40.5000   1.26   0.23  -0.20  -0.52 
1 1 1   11   25    6 o   14.942   0.3782   15.987 -65.2000   2.61  -1.07  -0.78   0.09 
1 1 1   11   25    7 o   1.1503   1.2058   6.3244 -105.7000  -0.02   0.10   0.00  -0.02 
1 1 1   11   25    8 o   2.4074   1.1081   4.6291   11.500   0.00   0.18  -0.02   0.06 
1 1 1   11   25    9 o   6.3265   0.6207   7.6970 -81.1000   0.63  -0.43   0.22   0.22 
1 1 1   11   25   10 o   2.8484   1.3421   2.8012  162.600  -0.30   0.38  -0.02   0.06 
1 1 1   11   25   11 o   15.666   1.2621   13.141  152.100  -5.29  11.72   2.11   1.31 
1 1 1   11   25   12 o   11.529   0.4383   16.165 -116.3000  -0.39  -0.70  -0.39   0.06 
1 1 1   11   25   13 o   0.0000   2.6645  ?   ?   -0.08  -0.65   0.10  -0.16 
1 1 1   11   25   14 o   6.8700   0.6169   13.454   72.000  -0.51   0.47  -0.07   0.04 
1 1 1   11   26    0 f   0.0000   3.8730   9.9725   89.200   0.00   0.04   0.00   0.00 
1 1 1   11   26    1 o   8.8604   0.4725   6.7353 -151.2000   0.30  -1.05   0.34  -0.19 
1 1 1   11   26    2 o   9.1214   0.5100   2.4450 -13.4000  -0.57   0.66   0.38  -0.03 
1 1 1   11   26    3 o   4.4512   1.1351   8.2196   95.200  -0.52   1.86   0.30   0.03 
1 1 1   11   26    4 o   10.496   0.4138   11.660   39.100   1.29   0.03   0.45   1.00 
1 1 1   11   26    5 o   16.666   0.3101   12.596   12.100   0.54   0.44   0.21   0.09 
1 1 1   11   26    6 o   8.4747   0.5645   7.0314 -10.7000   0.70  -0.13   0.07  -0.30 
1 1 1   11   26    7 o   12.473   0.3782   11.001 -72.0000  -0.10   0.04   0.00   0.00 
1 1 1   11   26    8 o   7.7982   0.9020   6.6158  167.500   0.55   2.53   0.23  -0.30 
1 1 1   11   26    9 o   7.0961   0.6149   12.804 -151.0000   0.12  -0.05  -0.00  -0.01 
1 1 1   11   26   10 o   7.7924   1.4878   8.5711   93.200   0.56   3.32   0.30   0.02 
1 1 1   11   26   11 o   0.0000   2.8237  ?   ?   -0.27   0.29   0.05   0.06 
1 1 1   11   27    0 o   0.0000   4.0620   3.9793 -89.4000  -0.00  -0.18   0.00   0.00 
1 1 1   11   27    1 o   4.9203   0.9025   9.4880 -168.0000  -0.13  -0.25  -0.02  -0.01 
1 1 1   11   27    2 o   8.3819   0.6464   10.823   59.000  -0.25   0.81  -0.25  -0.06 
1 1 1   11   27    3 o   5.4683   1.4919   13.155   40.500  -0.17  -0.08  -0.00  -0.00 
1 1 1   11   27    4 o   5.1290   0.7917   4.0922   12.600   0.32   0.14  -0.03   0.04 
1 1 1   11   27    5 o   6.7453   0.6945   9.3907   14.900   0.13   0.40   0.02   0.05 
1 1 1   11   27    6 o   0.0000   2.7176  ?   ?   -0.12  -0.17   0.00   0.00 
1 1 1   12    0    0 o   61.626   0.5779   55.446 -179.8000  -0.26   0.00   0.00   0.00 
1 1 1   12    0    1 o   6.9714   0.4694   14.670   90.400   0.00   0.04   0.00   0.00 
1 1 1   12    0    2 f   3.2094   0.8871   18.165   1.1000   0.03   0.00   0.00   0.00 
1 1 1   12    0    3 o   45.224   0.3206   39.912   90.000  -0.00  -0.17   0.00   0.00 
1 1 1   12    0    4 o   45.365   0.3467   17.806   1.2000   0.12   0.00   0.00   0.00 
1 1 1   12    0    5 o   5.0200   0.5930   16.697   89.100  -0.00  -0.02   0.00   0.00 
1 1 1   12    0    6 o   32.064   0.2568   46.189 -179.3000  -0.11   0.00   0.00   0.00 
1 1 1   12    0    7 o   16.784   0.2379   9.6887 -90.9000   0.00   0.19   0.00   0.00 
1 1 1   12    0    8 o   53.499   0.3593   50.751  179.800   0.20   0.00   0.00   0.00 
1 1 1   12    0    9 o   5.7096   0.3924   2.0653   65.400   0.00   0.00   0.00   0.00 
1 1 1   12    0   10 o   26.195   0.2252   26.673  -0.2000   0.01   0.00   0.00   0.00 
1 1 1   12    0   11 o   37.514   0.2791   40.741   89.900  -0.00  -0.33   0.00   0.00 
1 1 1   12    0   12 f   17.989   0.1871   11.019  179.600  -0.06   0.00   0.00   0.00 
1 1 1   12    0   13 o   56.583   0.3905   68.056 -90.1000  -0.00  -0.38   0.00   0.00 
1 1 1   12    0   14 o   28.023   0.2371   37.602  179.800  -0.09   0.00   0.00   0.00 
1 1 1   12    0   15 o   28.167   0.2464   34.367   90.100   0.00   0.71   0.00   0.00 
1 1 1   12    0   16 o   20.246   0.2199   10.790  -0.6000  -0.02   0.00   0.00   0.00 
1 1 1   12    0   17 o   5.4589   0.3601   7.7230   85.200  -0.00  -0.10   0.00   0.00 
1 1 1   12    0   18 o   2.6077   0.6078   3.6474 -179.8000  -0.01   0.00   0.00   0.00 
1 1 1   12    0   19 o   33.642   0.2683   32.645 -90.2000  -0.00  -0.57   0.00   0.00 
1 1 1   12    0   20 o   4.3589   0.4826   6.9423  -0.5000  -0.02   0.00   0.00   0.00 
1 1 1   12    0   21 o   6.2209   0.3924   3.2483 -89.4000   0.00   0.08   0.00   0.00 
1 1 1   12    0   22 o   3.5777   0.6325   2.6318 -179.4000  -0.01   0.00   0.00   0.00 
1 1 1   12    0   23 o   13.642   0.2766   14.406 -89.9000   0.00   0.18   0.00   0.00 
1 1 1   12    0   24 f   25.626   0.2722   17.211  179.900  -0.01   0.00   0.00   0.00 
1 1 1   12    0   25 f   26.493   0.2838   14.115   89.700  -0.00  -1.40   0.00   0.00 
1 1 1   12    0   26 o   0.0000   2.6077   5.0212 -179.7000  -0.02   0.00   0.00   0.00 
1 1 1   12    0   27 o   5.7271   0.5547   8.2329 -91.1000   0.00   0.03   0.00   0.00 
1 1 1   12    0   28 o   0.0000   2.6268   2.2239  179.700   0.02   0.00   0.00   0.00 
1 1 1   12    0   29 o   17.697   0.3082   24.885   90.100   0.00   0.49   0.00   0.00 
1 1 1   12    0   30 o   21.861   0.3156   16.039   1.1000   0.03   0.00   0.00   0.00 
1 1 1   12    0   31 o   1.8166   1.1957   2.3565 -91.3000  -0.00  -0.07   0.00   0.00 
1 1 1   12    0   32 o   0.0000   2.8810   11.165  -1.0000   0.02   0.00   0.00   0.00 
1 1 1   12    1    0 o   69.829   0.4503   55.096 -179.9000  -0.03   0.00   0.00   0.00 
1 1 1   12    1    1 o   43.164   3.5140   36.787   28.200   1.51  48.24  10.20  -0.24 
1 1 1   12    1    2 o   30.693   0.4935   21.560 -74.8000   0.69  -0.51  -0.40   0.50 
1 1 1   12    1    3 o   20.628   1.2166   18.704  131.100  -2.48   4.15   0.27   0.45 
1 1 1   12    1    4 o   14.287   0.7292   18.456   90.200   1.12  -1.56   0.10   0.26 
1 1 1   12    1    5 o   18.730   0.4212   14.756   29.500   1.88   0.58  -0.97  -0.50 
1 1 1   12    1    6 o   50.771   0.2413   47.766  145.800  -0.52  -1.35   1.22  -0.39 
1 1 1   12    1    7 o   26.469   1.3439   18.451   87.900  -9.81  13.04   1.21   3.75 
1 1 1   12    1    8 o   46.527   0.8187   41.038 -48.5000   7.25 -10.31   0.77   2.65 
1 1 1   12    1    9 o   31.489   1.4331   32.084 -71.9000   0.17 -25.40   6.72  -0.12 
1 1 1   12    1   10 o   30.709   0.3415   42.024 -88.7000  -2.27  -0.89  -1.08  -0.68 
1 1 1   12    1   11 o   21.504   1.7717   21.796   46.800 -14.33  36.18   6.63   6.51 
1 1 1   12    1   12 o   50.303   1.0902   55.362   88.100 -10.37   8.20  -0.80   2.40 
1 1 1   12    1   13 o   30.825   2.6853   25.436  140.600 -12.82 143.24  38.63   6.19 
1 1 1   12    1   14 o   32.247   0.2126   43.613 -131.5000   2.07  -2.72  -0.07   4.11 
1 1 1   12    1   15 o   27.144   2.0072   12.180 -92.6000  -3.15 -34.07   6.23  -1.41 
1 1 1   12    1   16 o   22.138   0.5265   10.895 -46.4000   5.32  -1.02  -1.78   0.50 
1 1 1   12    1   17 o   26.192   0.7710   22.264   41.900   0.45  15.37   6.38   0.23 
1 1 1   12    1   18 o   27.945   1.5227   22.728   79.300 -27.14  14.82  -4.28   5.94 
1 1 1   12    1   19 o   9.0984   0.2896   1.6739   94.800   3.17   2.36  -0.91  -2.22 
1 1 1   12    1   20 f   9.3876   0.7774   3.8508   41.100   3.42  -7.11   0.92   1.26 
1 1 1   12    1   21 o   9.5259   0.6653   11.450 -135.5000   3.36 -14.86   7.67   4.20 
1 1 1   12    1   22 o   10.173   0.2168   10.848 -71.4000  -3.83  -1.21  -3.52  -1.62 
1 1 1   12    1   23 o   26.233   0.1937   12.369  -3.1000   1.13  -8.34  16.70  -2.81 
1 1 1   12    1   24 o   10.230   1.1511   7.5675   18.400  20.27  -5.25  -4.88   3.17 
1 1 1   12    1   25 o   27.670   0.2001   31.754 -145.5000   0.02   0.67  -0.06   0.61 
1 1 1   12    1   26 o   9.5635   0.5128   12.729   11.300   0.72   3.18   1.18  -0.33 
1 1 1   12    1   27 o   10.383   1.5334   10.303  151.800  -6.38  38.04   9.04   2.71 
1 1 1   12    1   28 o   8.0731   0.4031   8.3368  148.700  -2.94  -0.61  -1.01  -0.22 
1 1 1   12    1   29 o   9.5675   0.2888   8.7592 -20.4000  -0.52  -1.43   0.59  -1.34 
1 1 1   12    1   30 o   10.032   0.3149   9.9566   84.700   2.75  -0.28  -1.34   0.81 
1 1 1   12    1   31 o   8.1654   0.3821   8.8031 -143.7000   0.08  -0.52   0.14  -0.04 
1 1 1   12    1   32 o   0.0000   2.2306  ?   ?    0.02   0.19   0.03   0.00 
1 1 1   12    2    0 o   59.789   0.3971   77.610 -179.9000  -0.43   0.00   0.00   0.00 
1 1 1   12    2    1 o   17.761   0.3432   19.859  101.300  -1.06  -0.74  -0.19  -1.58 
1 1 1   12    2    2 o   12.893   0.7701   7.8228   38.100   2.17  -2.97   0.28   0.76 
1 1 1   12    2    3 o   17.837   0.3682   14.675 -18.6000   1.71  -1.94  -0.09   2.92 
1 1 1   12    2    4 f   11.387   0.5659   24.784 -135.3000   1.47  -2.31   0.44   0.83 
1 1 1   12    2    5 o   19.774   1.6392   15.975 -99.3000 -10.34 -16.14   2.05  -4.84 
1 1 1   12    2    6 o   36.789   1.6629   43.137  154.200 -25.47  23.29  -0.61  11.35 
1 1 1   12    2    7 o   11.693   0.8094   11.165 -123.4000  13.14   0.47  -6.29  -0.31 
1 1 1   12    2    8 o   15.716   0.8161   15.697 -133.0000 -13.63   0.10  -4.21  -0.03 
1 1 1   12    2    9 o   47.594   0.3980   40.443  160.300  -0.59   4.70   3.59   0.19 
1 1 1   12    2   10 o   36.493   0.2745   36.854   59.100  -4.33   3.37  -3.66   6.66 
1 1 1   12    2   11 o   48.322   0.9647   62.911   76.600   8.59   6.61  -0.39  -2.49 
1 1 1   12    2   12 o   28.232   0.9740   26.063 -160.5000 -10.65   4.14  -2.70   2.82 
1 1 1   12    2   13 o   51.911   0.6732   51.764 -78.4000  -2.01  -5.71   1.82  -2.46 
1 1 1   12    2   14 o   13.672   0.3570   16.158  159.800  -2.05   2.44   0.09   0.71 
1 1 1   12    2   15 o   27.862   0.7750   40.340   91.500  16.46   5.15 -13.51  -7.07 
1 1 1   12    2   16 o   18.085   0.5889   14.650   69.600   6.91  -0.23  -3.15   0.50 
1 1 1   12    2   17 o   13.725   0.8285   11.074 -35.2000  19.39 -10.24  -6.96   9.21 
1 1 1   12    2   18 o   11.820   0.5690   14.030   72.900  -3.32   2.81  -0.28   1.16 
1 1 1   12    2   19 o   23.674   0.2772   17.388 -27.7000  -0.95  -8.94   8.77  -4.17 
1 1 1   12    2   20 o   8.8428   0.3507   7.8382 -67.4000   5.03  -0.46  -3.15   0.29 
1 1 1   12    2   21 o   14.446   0.3171   2.8859   5.1000  -5.24  -2.26  -2.81  -4.17 
1 1 1   12    2   22 o   12.982   0.6858   9.4416   96.700  15.67   3.53  -6.39  -2.48 
1 1 1   12    2   23 o   4.2156   0.4234   1.1106   81.900  -1.59  -0.56  -0.78  -0.85 
1 1 1   12    2   24 o   6.6770   0.5240   7.0990   93.700  -0.89   3.25   0.91   0.73 
1 1 1   12    2   25 o   18.331   1.5429   12.559   5.6000  29.15  15.85  -3.98  -7.28 
1 1 1   12    2   26 o   9.6255   0.7778   7.4658 -153.7000  -4.26   2.34  -0.35   0.67 
1 1 1   12    2   27 o   16.411   0.2121   10.839  118.300  -1.07  -0.10  -0.64  -1.45 
1 1 1   12    2   28 o   10.132   0.2736   5.3847 -23.5000   0.07  -0.02   0.01   0.02 
1 1 1   12    2   29 o   5.1600   0.4799   10.891  141.200  -0.86   0.61  -0.17   0.26 
1 1 1   12    2   30 o   10.304   0.5882   10.477 -21.5000   1.47  -2.08   0.06   0.36 
1 1 1   12    2   31 o   0.3735   0.8546   2.3849 -160.1000   0.84  -0.53  -0.20   0.26 
1 1 1   12    2   32 o   11.502   0.3296   12.811   70.100  -0.53   0.46  -0.17   0.12 
1 1 1   12    3    0 o   67.899   0.4397   68.457  179.900  -0.07   0.00   0.00   0.00 
1 1 1   12    3    1 o   54.218   1.2738   38.553  103.500  -0.97   6.04   1.52   0.79 
1 1 1   12    3    2 f   30.949   1.1802   14.027 -62.3000  -1.14  -7.57   1.93  -0.44 
1 1 1   12    3    3 o   38.970   0.2201   33.281 -131.5000   0.19  -0.40  -0.20   0.63 
1 1 1   12    3    4 o   16.176   1.5537   13.008   91.200  -4.36  12.70   2.14   1.75 
1 1 1   12    3    5 o   74.847   1.6164   54.429  -9.7000  17.16  -0.42  -4.27   0.68 
1 1 1   12    3    6 f   44.646   0.2513   45.451  149.300  -0.81   0.33  -0.22   0.54 
1 1 1   12    3    7 o   47.040   0.4332   55.638  161.600  -1.88   1.74   1.16   3.73 
1 1 1   12    3    8 o   57.079   0.9578   55.460 -16.5000   6.59   8.03   0.26  -7.00 
1 1 1   12    3    9 o   50.067   0.2574   56.161 -133.9000   0.84  -0.18  -1.02  -0.26 
1 1 1   12    3   10 o   47.986   0.2817   38.418 -119.6000   0.07  -0.23   0.05  -0.33 
1 1 1   12    3   11 o   52.506   0.6400   49.047   33.800   5.79  -0.28  -3.31   1.24 
1 1 1   12    3   12 f   44.954   0.4928   42.464   67.500  -9.89  14.67   3.18  13.67 
1 1 1   12    3   13 o   25.149   1.8698   17.083   91.400 -19.83  57.35  10.69   8.02 
1 1 1   12    3   14 o   28.466   0.2117   31.448 -157.2000  -0.78  -0.31  12.31   9.46 
1 1 1   12    3   15 o   22.700   0.4093   16.601 -65.3000  -1.67  -2.98   0.65  -1.66 
1 1 1   12    3   16 f   16.942   0.5854   25.158   57.000  -0.04   2.85   0.60  -0.04 
1 1 1   12    3   17 o   33.156   0.2334   32.963  130.000   0.09  -0.15   0.01  -0.18 
1 1 1   12    3   18 o   8.0659   0.3311   18.515   9.7000   0.25   0.68   8.08   9.99 
1 1 1   12    3   19 o   20.376   0.7483   20.654   6.9000   8.52   8.50  -0.41  -4.15 
1 1 1   12    3   20 f   20.199   0.4272   17.733   68.600  -9.46   5.92  -2.73   9.25 
1 1 1   12    3   21 o   13.267   0.6032   8.1951 -115.9000   5.33  -5.88  -0.11   4.75 
1 1 1   12    3   22 o   10.476   0.3526   7.3452 -60.2000   1.46   0.01  -0.13   0.01 
1 1 1   12    3   23 o   12.109   0.4182   14.468   5.1000   3.65   6.42   4.19  -5.15 
1 1 1   12    3   24 o   22.177   0.4134   22.335   49.600   2.10  -0.96  -0.11   0.22 
1 1 1   12    3   25 f   14.540   0.2945   11.061 -112.3000  -2.27  -0.94  -0.82  -2.45 
1 1 1   12    3   26 o   10.341   0.5972   15.098  -7.4000  -3.16 -10.59   3.05  -2.42 
1 1 1   12    3   27 o   8.6169   0.2877   4.1047  164.600  -0.10  -0.06   0.12   0.12 
1 1 1   12    3   28 o   11.292   0.3518   10.893 -152.6000  -5.22   2.92  -1.27   3.88 
1 1 1   12    3   29 o   3.5796   0.6207   4.0784 -49.0000   0.17  -0.08   0.53  -0.61 
1 1 1   12    3   30 o   3.4354   1.5620   0.7455  130.800   1.10   0.13  -0.10  -0.02 
1 1 1   12    3   31 o   19.180   0.2230   19.403 -89.0000  -0.49  -0.05   0.52  -0.06 
1 1 1   12    4    0 o   10.164   0.3425   16.384 -179.9000  -0.02   0.00   0.00   0.00 
1 1 1   12    4    1 o   30.161   0.9053   33.835  127.800  -3.15   5.55   0.71   1.03 
1 1 1   12    4    2 o   16.167   0.1986   15.618   99.700   0.80   1.28   0.44  -1.52 
1 1 1   12    4    3 o   60.805   0.4571   55.117 -44.4000  -0.27  -1.77   0.54   0.02 
1 1 1   12    4    4 o   2.8158   1.2870   7.5633   65.700   3.16  -3.97   0.14   0.57 
1 1 1   12    4    5 o   67.781   0.5594   83.079 -50.2000   0.06  -5.42   4.92  -1.57 
1 1 1   12    4    6 f   5.3432   0.8072   15.745 -130.6000  -8.87   5.21  -2.89   5.39 
1 1 1   12    4    7 o   48.922   0.3087   41.589  151.200   3.87   0.56  -0.86  -0.38 
1 1 1   12    4    8 o   9.0347   0.9171   9.1057 -76.0000  -0.55 -10.13   2.12  -0.20 
1 1 1   12    4    9 o   23.801   0.3739   37.024  157.100  -0.10   5.61   4.51  -0.40 
1 1 1   12    4   10 o   30.488   0.4804   37.196   63.700 -12.17  11.26  -3.32  17.74 
1 1 1   12    4   11 o   42.506   1.0238   44.816   52.100   1.83   7.61   0.91  -0.38 
1 1 1   12    4   12 o   26.843   1.0667   32.708 -140.7000 -38.45  19.16 -14.31  20.93 
1 1 1   12    4   13 o   26.896   0.4318   43.773 -64.8000  -3.02  -8.45   4.80  -5.01 
1 1 1   12    4   14 o   18.827   0.2135   13.354  -2.5000  -0.17  -0.60   0.41  -1.04 
1 1 1   12    4   15 o   19.862   1.8564   23.104   71.900  23.36  25.74   0.51  -7.81 
1 1 1   12    4   16 o   4.9247   0.7161   6.4057  -7.3000   4.70   1.33  -2.29  -1.23 
1 1 1   12    4   17 o   19.776   0.3660   21.754 -81.1000   7.28  -1.50  -3.88   1.12 
1 1 1   12    4   18 o   20.141   0.4663   16.990   35.200   1.40  -4.82   2.27   0.92 
1 1 1   12    4   19 o   13.357   1.0652   18.287   56.700 -10.13  19.41   3.95   6.31 
1 1 1   12    4   20 o   8.4692   1.7016   11.812 -87.5000  34.93   0.12 -10.71  -0.38 
1 1 1   12    4   21 o   6.3938   0.7472   15.299  100.900   2.76  11.29   3.97  -2.29 
1 1 1   12    4   22 o   12.620   0.9185   13.813  104.100  16.38  12.67  -1.67  -5.37 
1 1 1   12    4   23 o   6.7572   0.2692   4.9600   70.400  -0.09   0.04   0.38   0.04 
1 1 1   12    4   24 o   16.820   0.8795   17.981   25.300  -1.84   9.73   2.96   1.82 
1 1 1   12    4   25 o   11.625   0.2211   12.544 -16.1000   0.16  -0.37   0.66  -0.47 
1 1 1   12    4   26 o   12.418   0.8954   15.997  145.700 -13.17   5.41  -1.61   1.82 
1 1 1   12    4   27 o   20.009   0.1979   25.169  105.400  -1.82   0.71  -4.19  -4.49 
1 1 1   12    4   28 o   16.267   0.3199   14.723 -10.5000   0.02   0.13   0.00  -0.00 
1 1 1   12    4   29 o   5.0269   0.4829   13.916 -135.0000   0.09   0.01  -0.01   0.00 
1 1 1   12    4   30 o   0.0000   2.0123  ?   ?   -0.00   0.01  -0.00  -0.01 
1 1 1   12    4   31 o   2.5655   0.8008   1.9354 -153.9000   0.06  -0.11  -0.14  -0.03 
1 1 1   12    5    0 o   31.031   0.2874   15.485  178.100   0.19   0.00   0.00   0.00 
1 1 1   12    5    1 f   64.971   1.1935   58.318  121.000   4.33  16.77   3.23  -2.17 
1 1 1   12    5    2 o   16.763   1.4992   21.505   23.300   7.91  24.35   4.00  -3.00 
1 1 1   12    5    3 f   67.665   0.3703   57.738 -91.7000   1.58  -1.36  -1.37   1.61 
1 1 1   12    5    4 o   19.995   0.3939   29.197  -6.2000  -0.36   7.74   8.91   1.53 
1 1 1   12    5    5 o   42.260   0.3814   61.599 -16.1000   0.10  -5.17   3.18  -0.37 
1 1 1   12    5    6 f   28.817   0.6155   27.184 -74.9000  -8.84  -3.88  -4.32  -4.06 
1 1 1   12    5    7 o   29.891   1.5675   35.626 -172.7000 -22.02 -10.03  -2.31  -2.78 
1 1 1   12    5    8 o   42.118   1.7358   35.877   23.400  21.82  21.36  -0.67  -8.70 
1 1 1   12    5    9 f   28.750   1.2754   27.240 -134.4000 -26.49   3.34  -8.87   2.69 
1 1 1   12    5   10 f   50.158   0.2880   39.729 -105.5000   0.68  -0.56  -2.92  -1.16 
1 1 1   12    5   11 o   49.430   1.2400   42.024   16.300  22.86  -4.75  -4.32   2.31 
1 1 1   12    5   12 o   35.032   0.3254   25.323   16.400  -0.59   9.88  15.66   5.99 
1 1 1   12    5   13 o   13.266   0.3417   14.899   76.600   0.03   0.99   0.11  -0.02 
1 1 1   12    5   14 o   7.8110   1.4803   3.0594  178.500  -6.11  17.49   4.26   3.24 
1 1 1   12    5   15 o   25.198   0.2153   18.801   13.900   0.96  -1.08  -0.11   0.62 
1 1 1   12    5   16 o   24.152   0.7532   14.702   72.400   3.37   8.92   2.21  -2.40 
1 1 1   12    5   17 o   58.588   0.3274   55.997  148.000  -0.24   0.44   0.07   0.01 
1 1 1   12    5   18 o   28.272   0.2858   19.195 -28.6000   4.06  -8.29  17.10   9.54 
1 1 1   12    5   19 o   22.556   0.4160   24.700   4.9000   1.08   1.71   0.10  -0.47 
1 1 1   12    5   20 o   5.8253   0.4681   3.5757  173.700   2.64  -3.63   0.82   5.13 
1 1 1   12    5   21 o   6.2951   0.3077   6.8338  155.800  -0.75   0.40  -0.10   0.12 
1 1 1   12    5   22 o   7.3856   1.3613   11.384  161.100 -28.38 -12.42  -5.83  -6.63 
1 1 1   12    5   23 o   7.7029   0.7562   12.707   2.7000   4.03   3.34  -0.11  -1.18 
1 1 1   12    5   24 o   13.522   0.3736   12.927   34.500   1.91  -1.83  -0.67   1.49 
1 1 1   12    5   25 o   7.1653   0.9283   4.5034  110.900   5.04  11.16   2.29  -2.95 
1 1 1   12    5   26 o   14.493   0.5355   14.432 -147.4000   5.42  -9.01   1.93   2.76 
1 1 1   12    5   27 o   12.561   0.2339   11.703 -66.4000   0.24   0.11  -0.19   0.21 
1 1 1   12    5   28 o   4.1540   0.8043   4.2853  157.000  -0.15   3.75   1.38  -0.06 
1 1 1   12    5   29 f   17.987   0.2046   9.1990  159.400   0.93   0.52   1.47  -0.82 
1 1 1   12    5   30 o   0.3745   0.8677   6.9255  144.800  -0.16  -0.11   0.06  -0.12 
1 1 1   12    5   31 o   8.4442   0.8270   7.9551 -48.9000   1.46  -5.67   0.79   0.62 
1 1 1   12    6    0 o   46.422   0.3241   33.484   0.3000   0.30   0.00   0.00   0.00 
1 1 1   12    6    1 f   41.790   0.2202   42.413 -159.4000  -1.91   0.97  -0.83   3.07 
1 1 1   12    6    2 o   31.996   1.0442   30.461   96.300  -1.57  12.52   2.27   0.48 
1 1 1   12    6    3 o   9.7046   0.5856   9.5002   73.900   8.35   0.20  -4.40  -0.09 
1 1 1   12    6    4 o   35.275   0.7966   20.224 -55.0000   2.07  -8.75   3.31   1.36 
1 1 1   12    6    5 o   56.098   0.8042   58.184 -37.8000   5.67   1.69  -1.25  -0.61 
1 1 1   12    6    6 o   23.160   0.4525   20.346 -28.1000   7.19  -0.40  -4.19   0.19 
1 1 1   12    6    7 f   10.073   1.0676   4.8191 -89.3000  20.02   0.89  -6.95  -0.74 
1 1 1   12    6    8 o   28.854   1.1939   27.148  -3.5000  13.40  -7.41  -1.80   2.61 
1 1 1   12    6    9 o   44.469   0.9035   45.423  151.900  14.25  10.96  -2.36  -6.43 
1 1 1   12    6   10 o   36.405   0.5844   31.424   82.800 -24.93  11.38 -19.05  17.63 
1 1 1   12    6   11 o   11.682   0.2815   12.171 -178.1000  -0.13  -0.20   0.08  -0.09 
1 1 1   12    6   12 o   49.884   0.3810   47.909 -103.4000   5.38  -4.92 -13.18  16.75 
1 1 1   12    6   13 o   31.426   0.5268   35.078 -24.3000   4.22   3.99   0.73  -4.17 
1 1 1   12    6   14 o   14.071   0.7721   16.984   31.100   7.36   3.86  -1.40  -2.31 
1 1 1   12    6   15 o   20.962   0.4564   16.351  154.800  -4.02 -13.64  11.79  -5.68 
1 1 1   12    6   16 o   4.0739   0.9034   9.3595 -77.9000  -3.20  -2.23  -0.46  -1.53 
1 1 1   12    6   17 f   22.425   0.3432   18.461 -74.4000  -1.90  -4.27   1.73  -3.57 
1 1 1   12    6   18 o   20.572   0.5892   6.9151 -163.9000  -4.57  -2.14  -0.94  -0.86 
1 1 1   12    6   19 o   17.482   0.6563   10.175  154.900  -6.47   1.70  -1.32   0.58 
1 1 1   12    6   20 f   6.3845   0.5120   12.245 -86.4000   4.10  -1.02  -2.33   0.88 
1 1 1   12    6   21 o   17.139   0.2403   19.698   70.300  -1.41   4.07   1.94   0.98 
1 1 1   12    6   22 o   10.574   1.4401   3.6265   65.600  28.91  16.37  -2.89  -4.56 
1 1 1   12    6   23 o   4.5693   0.6901   6.4311 -33.8000  -1.59  -3.06   0.43  -0.76 
1 1 1   12    6   24 o   3.9943   0.6937   9.8848   98.800  -0.98   1.58   0.12   0.31 
1 1 1   12    6   25 o   19.265   0.1849   16.707  118.100   0.04  -0.33  -0.21  -0.38 
1 1 1   12    6   26 o   12.672   0.7978   11.865  178.300  -8.21   5.14  -0.59   1.54 
1 1 1   12    6   27 o   2.8892   0.6813   6.2793   89.200   0.77  -0.07  -0.24   0.11 
1 1 1   12    6   28 o   11.221   0.5507   11.702 -20.5000   0.42  -0.71   0.03   0.04 
1 1 1   12    6   29 o   8.1261   0.4280   8.3311 -161.4000  -1.48   0.80  -0.15   0.52 
1 1 1   12    6   30 o   7.4877   0.4145   7.4530  -1.0000   0.03   0.00   0.01   0.00 
1 1 1   12    6   31 o   7.8398   0.9085   9.1654 -67.2000  -2.14  -4.88   0.67  -1.12 
1 1 1   12    7    0 o   72.228   0.4595   79.565  -0.0000   0.75   0.00   0.00   0.00 
1 1 1   12    7    1 f   60.940   0.2797   50.033  179.000  -1.19  -1.90   7.04  -1.77 
1 1 1   12    7    2 o   10.151   0.2387   13.296  155.500  -0.08   3.74   6.80  -0.24 
1 1 1   12    7    3 o   18.274   0.2150   7.2679 -60.1000   2.42   0.13  -1.57  -0.32 
1 1 1   12    7    4 o   24.819   0.9428   20.511   74.500   0.01  15.68   4.30   0.14 
1 1 1   12    7    5 f   13.124   1.2854   32.733   23.500  17.40  20.48   1.49  -8.11 
1 1 1   12    7    6 o   23.259   0.6429   22.261  -2.0000   6.66   1.89  -1.64  -1.16 
1 1 1   12    7    7 o   17.736   2.4966   18.627   79.200  81.25  16.05 -19.26  -7.62 
1 1 1   12    7    8 o   20.060   1.6201   19.774   96.500  17.31  25.75   2.20  -5.74 
1 1 1   12    7    9 o   28.070   0.9424   26.382 -122.4000 -48.67   6.35 -28.04   8.79 
1 1 1   12    7   10 o   23.997   0.7876   14.422 -57.0000  13.48   5.23  -2.82  -2.83 
1 1 1   12    7   11 o   36.053   0.4265   27.999   18.400   8.85  -7.99   0.12   6.02 
1 1 1   12    7   12 o   22.210   0.4274   13.758  -7.6000   0.70   3.77   4.62  -0.50 
1 1 1   12    7   13 o   14.207   0.2530   17.883 -177.5000   0.45  -0.18  -0.18   0.46 
1 1 1   12    7   14 o   15.128   1.0155   9.2995   96.100   0.77  16.15   4.14  -0.57 
1 1 1   12    7   15 o   39.950   0.4118   24.501   52.900   1.72   0.49  -0.27  -0.37 
1 1 1   12    7   16 o   11.456   0.6890   15.691   84.700  -0.65   5.60   1.40   0.22 
1 1 1   12    7   17 o   31.624   0.3177   23.608  145.600  -1.37   1.67  -0.29   1.04 
1 1 1   12    7   18 o   11.694   0.6869   12.735 -66.9000  -1.80 -12.44   6.41  -2.54 
1 1 1   12    7   19 o   10.633   0.3027   1.5270 -146.7000   0.18  -0.09  -0.02   0.01 
1 1 1   12    7   20 o   16.577   1.7391   14.612 -116.0000   7.95 -44.71   8.79   3.62 
1 1 1   12    7   21 o   3.2125   1.0782   5.4100  146.800  -4.60   2.81  -0.71   1.26 
1 1 1   12    7   22 o   9.3442   0.9839   1.3100  128.600 -14.87   5.54  -4.04   3.17 
1 1 1   12    7   23 o   8.0388   1.1131   4.3111  156.700  -8.20  -3.16  -0.95  -0.76 
1 1 1   12    7   24 o   5.9060   0.9809   10.381   45.000   7.55   0.46  -1.91  -0.37 
1 1 1   12    7   25 o   16.053   0.2045   16.012  115.700  -0.04   0.90   0.22  -0.07 
1 1 1   12    7   26 o   24.838   0.1943   25.255 -158.0000   0.80   0.27  -0.17   1.05 
1 1 1   12    7   27 o   23.247   0.1994   16.959   15.400  -0.04   0.60  -0.35   0.62 
1 1 1   12    7   28 o   3.1842   0.6723   6.3059  147.900  -0.66  -0.97   0.14  -0.23 
1 1 1   12    7   29 o   7.1700   0.6020   4.9231 -134.6000  -0.59  -2.12   0.39  -0.37 
1 1 1   12    7   30 o   8.8952   0.5278   10.057 -116.9000  -0.98  -0.86  -0.08  -0.18 
1 1 1   12    7   31 o   12.588   1.3712   12.289  140.100  -7.12  11.35   1.41   2.05 
1 1 1   12    8    0 o   14.018   0.2797   12.497  -0.2000   0.13   0.00   0.00   0.00 
1 1 1   12    8    1 o   20.533   0.4063   25.234 -130.5000   0.96  -1.81   0.27   0.51 
1 1 1   12    8    2 o   42.636   0.3747   36.235   47.700  -0.34   3.53   1.58  -0.04 
1 1 1   12    8    3 o   31.273   1.2343   34.102  171.300 -16.85   8.03  -2.66   2.99 
1 1 1   12    8    4 o   36.644   0.5444   34.222 -135.4000  -3.94  -6.43   0.96  -1.52 
1 1 1   12    8    5 o   19.023   0.6962   33.116   54.700   2.98   4.53   0.45  -1.24 
1 1 1   12    8    6 o   29.932   0.6923   29.831 -12.2000   1.94  -5.23   1.37   0.97 
1 1 1   12    8    7 o   16.566   0.9432   22.103 -66.6000  20.78   9.03  -6.29  -7.17 
1 1 1   12    8    8 f   20.534   1.2913   33.013 -16.3000  28.66   8.47  -4.46  -3.03 
1 1 1   12    8    9 o   25.684   0.9594   24.927  166.500 -32.26  -2.39 -15.19  -2.98 
1 1 1   12    8   10 o   26.821   1.1314   20.338  138.300 -49.06 -17.30 -18.85 -16.36 
1 1 1   12    8   11 o   10.491   0.2390   13.969 -116.7000   0.61  -0.45  -0.23   0.43 
1 1 1   12    8   12 o   49.619   0.5182   50.030 -81.7000 -12.83  -3.50  -4.37  -1.63 
1 1 1   12    8   13 o   7.2279   0.4298   13.450   13.600  -0.26   2.72   2.09   0.65 
1 1 1   12    8   14 o   13.828   0.2526   20.479   77.800   0.39  -0.88   2.13   0.63 
1 1 1   12    8   15 o   28.633   1.1559   25.006 -133.6000  -4.98 -19.52   7.43  -3.15 
1 1 1   12    8   16 f   8.6516   0.3614   13.617  143.900   0.08   0.44  -4.96  -3.04 
1 1 1   12    8   17 o   13.450   0.9088   8.4058 -76.7000  -3.64 -16.40   4.67  -2.53 
1 1 1   12    8   18 f   9.0708   0.3965   5.2260 -175.5000  -3.45  -0.77  -1.49  -0.47 
1 1 1   12    8   19 o   5.1173   0.2413   5.6399   13.200  -0.04   0.37   0.32  -0.03 
1 1 1   12    8   20 f   5.4077   0.6649   13.518 -67.4000  -0.45   0.45  -0.00   0.02 
1 1 1   12    8   21 o   0.0000   1.6349  ?   ?   -0.11   0.06  -0.03   0.13 
1 1 1   12    8   22 o   20.788   0.8129   17.820   46.700  12.86  -2.79  -2.51   1.67 
1 1 1   12    8   23 o   4.3581   1.1892   2.4682 -134.8000  -1.24  -2.99   0.28  -0.31 
1 1 1   12    8   24 o   16.002   0.1997   17.594  178.800   0.33  -0.84  -0.45   1.37 
1 1 1   12    8   25 o   21.169   0.2069   19.498  105.300  -1.84   2.92   0.74   0.77 
1 1 1   12    8   26 o   14.139   0.2703   10.539 -86.2000  -0.47  -0.40  -0.06  -0.08 
1 1 1   12    8   27 o   11.438   0.2685   16.595 -97.8000   0.14   0.27   0.30   0.25 
1 1 1   12    8   28 o   0.0000   1.9873  ?   ?    0.77  -0.16  -0.12   0.07 
1 1 1   12    8   29 o   8.1708   1.3254   8.1861 -162.3000  -9.88   5.91  -0.83   1.93 
1 1 1   12    8   30 o   5.1300   0.5604   5.9535 -14.5000  -0.06  -0.36  -0.02   0.50 
1 1 1   12    9    0 o   36.324   0.3030   33.285   0.3000   0.40   0.00   0.00   0.00 
1 1 1   12    9    1 o   24.254   0.4605   9.2043 -117.5000  -3.83  -3.47  -0.01  -2.24 
1 1 1   12    9    2 o   18.514   2.0067   21.156  163.300  -6.10  60.90  16.41   3.03 
1 1 1   12    9    3 o   20.460   0.6442   28.856   66.600  -2.02   3.31   0.23   0.52 
1 1 1   12    9    4 o   6.6980   0.3132   4.4524   23.700   0.67  -0.98   0.18   0.39 
1 1 1   12    9    5 f   26.125   0.1731   6.0759  119.600   0.13  -0.16  -0.36  -1.24 
1 1 1   12    9    6 o   5.6372   0.3559   5.9487   30.400   0.38  -0.86   0.17   0.16 
1 1 1   12    9    7 f   20.574   0.1692   23.680   88.100  -5.90  -0.31 -14.01  -4.32 
1 1 1   12    9    8 o   31.588   0.1834   22.354   1.5000   0.20   2.96   3.78  -1.88 
1 1 1   12    9    9 o   15.316   1.2673   20.708 -66.5000  48.86  -6.73 -14.37   3.77 
1 1 1   12    9   10 o   10.848   0.2879   9.1986 -46.4000   1.17  -0.26  -0.21   0.12 
1 1 1   12    9   11 o   33.356   0.6660   35.456   22.700  10.04  -6.74  -0.94   3.21 
1 1 1   12    9   12 f   13.065   0.1626   12.848 -87.8000  -0.86  -0.66  -0.32  -0.65 
1 1 1   12    9   13 o   12.589   0.3216   22.608 -172.1000  -0.41   5.34   2.16   0.17 
1 1 1   12    9   14 o   25.209   0.1674   24.127  105.200   5.69   4.82  -1.07  -3.35 
1 1 1   12    9   15 o   16.028   0.2492   18.672  101.000   3.00   2.81   0.58  -3.87 
1 1 1   12    9   16 o   6.0580   0.2724   5.5770   74.700  -0.68  -0.64  -0.03  -0.19 
1 1 1   12    9   17 o   10.232   0.1760   7.4467 -107.7000   0.18  -0.16   0.00   0.02 
1 1 1   12    9   18 o   21.486   1.4403   16.974 -91.8000 -20.90 -47.20   7.74  -9.33 
1 1 1   12    9   19 o   26.977   0.6756   22.801  171.600  -7.80   4.08  -0.93   1.95 
1 1 1   12    9   20 o   9.3492   1.4061   11.102 -62.6000 -14.06 -25.04   3.32  -5.10 
1 1 1   12    9   21 o   4.7502   0.5972   2.8673 -31.9000  -0.37   3.95   1.24   0.33 
1 1 1   12    9   22 o   24.699   0.2247   21.427   7.5000   1.27  -7.66   2.71   0.04 
1 1 1   12    9   23 o   16.497   0.2034   20.888 -137.7000  -1.99   1.54   0.94   2.76 
1 1 1   12    9   24 o   9.8132   0.6972   11.815   93.500   6.90   2.53  -1.57  -1.69 
1 1 1   12    9   25 o   2.9458   0.6959   4.6875  116.200   0.07  -0.25   0.03   0.01 
1 1 1   12    9   26 o   19.588   0.2257   19.478 -155.4000  -0.53  -0.33   0.09  -0.20 
1 1 1   12    9   27 o   16.175   0.3130   13.817   58.100   0.41   0.23  -0.36   0.10 
1 1 1   12    9   28 o   2.6929   1.2395   4.5666  159.900   0.39  -0.39   0.02   0.08 
1 1 1   12    9   29 o   11.797   0.2840   9.1364 -38.1000   0.84   1.37   0.25  -0.23 
1 1 1   12    9   30 o   21.353   0.2377   20.324 -39.0000   1.47  -0.65   1.28  -1.87 
1 1 1   12   10    0 o   11.212   0.3333   7.1823   5.0000   0.10   0.00   0.00   0.00 
1 1 1   12   10    1 o   7.0393   0.3116   8.1496 -98.4000   0.02  -0.04  -0.23   0.23 
1 1 1   12   10    2 o   19.444   0.7115   13.636   17.300   9.91  -9.22  -0.40   3.52 
1 1 1   12   10    3 o   21.137   0.4127   18.798  103.100  -2.31   3.03   0.14   0.72 
1 1 1   12   10    4 o   22.579   0.9316   20.531  163.600 -19.29 -27.85   4.79 -11.49 
1 1 1   12   10    5 o   17.744   0.1780   24.967   58.600   0.02  -0.36   0.06  -0.01 
1 1 1   12   10    6 o   30.489   0.7256   29.196 -16.6000   3.92 -15.03   5.56   2.59 
1 1 1   12   10    7 o   11.499   0.6485   12.871 -74.7000   9.55   8.46  -0.39  -4.21 
1 1 1   12   10    8 o   13.385   0.4822   6.1297 -111.2000   4.11   3.10  -0.46  -2.35 
1 1 1   12   10    9 o   5.1108   0.3648   6.0250 -97.1000   0.88   0.32  -2.04  -1.01 
1 1 1   12   10   10 f   29.331   1.1278   21.549  169.100 -20.05 -22.48   2.70 -14.00 
1 1 1   12   10   11 o   9.4254   1.1406   16.267 -25.3000  22.41  -0.20  -7.00  -0.07 
1 1 1   12   10   12 o   9.3178   0.7994   15.081 -72.8000  -3.18 -11.06   2.52  -1.71 
1 1 1   12   10   13 o   22.450   0.3215   22.755   5.2000   5.88  -9.60   2.89   4.43 
1 1 1   12   10   14 o   15.698   0.1789   7.8391 -10.6000  -0.22  -1.47   0.51  -0.30 
1 1 1   12   10   15 o   24.396   0.7969   20.205 -105.8000   5.34  -7.18   0.38   2.19 
1 1 1   12   10   16 o   13.469   0.4385   20.504  131.300 -11.87  -5.60  -5.08  -7.57 
1 1 1   12   10   17 o   7.1511   0.2577   4.4085 -57.2000   0.28  -0.58   0.53   0.35 
1 1 1   12   10   18 f   8.6681   0.7339   9.5785   10.900   7.97   1.49  -1.83  -0.84 
1 1 1   12   10   19 o   13.976   0.1965   20.988   43.100   0.70   0.09  -0.17   0.01 
1 1 1   12   10   20 o   6.1170   0.3410   9.3527 -84.5000   0.48   0.19  -0.05  -0.06 
1 1 1   12   10   21 o   9.4942   0.2578   8.8307 -135.1000  -0.10  -0.61   0.14   0.01 
1 1 1   12   10   22 o   16.357   0.6825   18.403   41.700   9.18  -5.34  -1.35   3.57 
1 1 1   12   10   23 o   13.399   0.2324   15.008  133.100  -0.19   0.29   0.06   0.04 
1 1 1   12   10   24 o   14.207   0.8993   16.577 -169.0000  -9.41  12.86   1.87   4.28 
1 1 1   12   10   25 f   10.761   0.8425   11.915   69.100   4.02   3.27  -0.19  -0.59 
1 1 1   12   10   26 o   7.4245   0.9191   2.2447 -35.2000   1.19   4.09   0.42  -0.22 
1 1 1   12   10   27 o   14.439   0.2492   16.493 -114.2000  -1.18   0.67  -0.35   0.20 
1 1 1   12   10   28 o   2.7164   1.2904   2.8836 -64.3000  -1.64   1.21  -0.11   0.27 
1 1 1   12   10   29 o   0.0000   2.2836  ?   ?    0.20  -0.17  -0.07   0.09 
1 1 1   12   11    0 o   15.789   0.2647   13.862  -1.6000   0.29   0.00   0.00   0.00 
1 1 1   12   11    1 o   15.394   0.8388   18.883   95.500  -5.79   4.30  -0.24   0.89 
1 1 1   12   11    2 o   31.100   0.1929   17.729 -177.0000  -0.86   1.66   7.96   1.49 
1 1 1   12   11    3 o   21.138   0.1730   15.812   71.800  -0.68  -0.35  -0.07  -0.15 
1 1 1   12   11    4 o   13.217   0.2035   13.703  113.700  -0.30   0.38  -0.08   0.60 
1 1 1   12   11    5 o   31.115   0.1939   24.107  138.700  -1.02  -0.77   0.08  -0.90 
1 1 1   12   11    6 o   24.909   0.1836   23.400  156.300   0.12  -0.52   0.98  -0.90 
1 1 1   12   11    7 o   11.614   0.2054   7.3473 -29.9000   0.01  -0.12  -0.90   0.00 
1 1 1   12   11    8 o   19.033   0.8364   18.538 -60.4000   0.28  -7.31   1.57   0.23 
1 1 1   12   11    9 f   17.400   0.1756   19.465   44.600  -0.12   0.07   0.10   0.13 
1 1 1   12   11   10 o   11.264   0.2636   11.911   70.700   1.63  -0.21  -0.39   0.15 
1 1 1   12   11   11 o   34.853   0.5491   33.687   23.200   9.33  -5.27  -1.34   3.24 
1 1 1   12   11   12 o   7.1972   0.2783   3.2177 -64.7000   0.76   0.43  -0.35  -3.66 
1 1 1   12   11   13 o   25.897   1.0178   24.864  139.000 -11.56  20.65   4.16   5.63 
1 1 1   12   11   14 o   17.871   0.1827   22.367   94.700   2.18   2.03  -1.35  -3.16 
1 1 1   12   11   15 o   13.856   0.1968   8.0565 -136.9000   0.09  -0.48   0.39  -0.09 
1 1 1   12   11   16 o   7.3651   0.2797   9.0466 -171.9000   0.11   1.04   0.63  -0.31 
1 1 1   12   11   17 o   12.080   0.7072   6.8065 -178.2000   4.12   7.94   1.19  -2.03 
1 1 1   12   11   18 o   20.920   0.6199   20.905 -57.7000  -6.98 -15.49   4.16  -6.06 
1 1 1   12   11   19 o   29.900   0.1945   25.856  169.300  -1.22  -2.03   2.75  -0.73 
1 1 1   12   11   20 o   12.981   0.7877   6.1636  -7.9000   7.41  12.76   2.11  -5.23 
1 1 1   12   11   21 o   4.1622   1.5500   2.0503  -5.6000  -0.86  -4.96   0.96  -0.41 
1 1 1   12   11   22 o   23.242   0.1993   22.644   13.400   0.27  -0.06   0.09   0.10 
1 1 1   12   11   23 o   11.190   0.3035   16.263 -169.9000  -2.15  -7.10   5.40  -2.08 
1 1 1   12   11   24 o   9.1747   1.0072   5.6891   50.400   4.74   5.15   0.18  -0.98 
1 1 1   12   11   25 o   3.1924   0.7391   5.7631  -5.4000   0.10  -0.18   0.09   0.03 
1 1 1   12   11   26 o   5.3944   0.5130   7.9064 -132.9000  -0.91  -0.57  -0.04  -0.32 
1 1 1   12   11   27 o   3.6376   0.7312   5.2240  115.300   0.10  -0.04  -0.02  -0.00 
1 1 1   12   11   28 o   4.9491   0.7560   7.9821 -54.2000   0.93   0.73  -0.10  -0.17 
1 1 1   12   11   29 o   7.8128   0.4981   8.6173   8.5000   0.14   0.09  -0.01  -0.00 
1 1 1   12   12    0 f   10.213   0.3501   20.357  -0.6000   0.15   0.00   0.00   0.00 
1 1 1   12   12    1 o   18.138   0.1838   15.327 -101.2000   1.18  -0.54  -1.16   0.66 
1 1 1   12   12    2 o   22.010   0.6829   25.773 -87.9000   9.92  -8.72  -1.33   6.03 
1 1 1   12   12    3 o   13.239   0.3602   5.5495 -30.6000   1.45   1.90   0.16  -1.20 
1 1 1   12   12    4 o   14.078   0.2450   8.3450  127.000   2.72   1.41  -3.15  -2.93 
1 1 1   12   12    5 o   13.851   0.2081   26.544   66.600   0.14  -0.13  -0.25   0.18 
1 1 1   12   12    6 o   24.630   0.5186   33.552 -39.7000   7.51   4.87  -1.60  -5.57 
1 1 1   12   12    7 f   18.328   0.3852   19.265 -99.6000  -4.42   0.37  -2.27   0.71 
1 1 1   12   12    8 o   14.003   0.2236   8.3025   85.700   0.97   0.24  -0.30  -0.25 
1 1 1   12   12    9 o   15.142   1.1417   7.3719 -34.7000  16.92  10.60  -2.00  -3.75 
1 1 1   12   12   10 o   31.463   0.5981   33.184  165.400  -4.92  -8.22   2.68  -3.42 
1 1 1   12   12   11 o   10.950   0.9625   3.6663   74.000 -14.05   4.12  -2.80   1.98 
1 1 1   12   12   12 o   9.8711   0.3804   3.3083 -69.9000  -2.36  -2.80   0.09  -1.28 
1 1 1   12   12   13 o   33.569   0.6103   34.838   27.200   9.01   0.96  -2.80  -0.05 
1 1 1   12   12   14 o   14.607   1.0790   15.879 -22.4000  28.01   4.19  -7.68  -2.77 
1 1 1   12   12   15 o   20.557   0.3303   12.838 -137.2000  -4.24   0.32  -2.47   1.10 
1 1 1   12   12   16 o   13.311   0.2087   12.026  129.400   1.67   2.08  -0.86  -4.27 
1 1 1   12   12   17 o   3.6189   0.7058   3.4145  173.000   2.11   2.38   0.04  -1.15 
1 1 1   12   12   18 o   16.956   0.4113   20.799   17.000   2.20   4.02   0.68  -0.78 
1 1 1   12   12   19 f   15.720   0.6465   17.126   70.800  -0.88   4.79   0.78   0.49 
1 1 1   12   12   20 o   7.6952   0.3360   4.9803   87.200  -2.09   0.12  -1.67   0.97 
1 1 1   12   12   21 o   5.1413   0.4673   1.5251  116.200   0.03  -0.44   0.07  -0.01 
1 1 1   12   12   22 o   17.090   0.9229   18.046   7.0000  13.17  -6.76  -2.04   3.83 
1 1 1   12   12   23 o   22.948   0.2914   23.488  139.200  -0.04   0.22   0.01  -0.00 
1 1 1   12   12   24 o   11.438   1.2453   14.128  112.500  -1.73  10.05   1.30   0.33 
1 1 1   12   12   25 o   9.5737   0.7434   7.8506   8.7000   6.20  -3.54  -0.63   1.45 
1 1 1   12   12   26 o   6.5899   0.4726   7.7678 -70.4000   0.33  -0.10  -0.19  -0.42 
1 1 1   12   12   27 o   3.1742   1.5020   2.9562 -148.4000  -0.49   0.05  -0.03   0.00 
1 1 1   12   12   28 o   10.836   0.3712   13.644 -58.4000   0.89  -0.47   0.42   0.54 
1 1 1   12   13    0 o   7.5033   0.4577   11.219 -179.3000   0.05   0.00   0.00   0.00 
1 1 1   12   13    1 o   28.716   0.8999   27.268  114.400  -8.43   7.93   0.15   3.54 
1 1 1   12   13    2 o   7.2300   0.3282   15.076 -44.2000  -0.15   0.17   0.01   0.04 
1 1 1   12   13    3 o   5.8636   0.3743   8.0820 -129.8000  -0.32   0.32  -0.02   0.14 
1 1 1   12   13    4 o   28.042   0.1901   23.013  106.300  -0.33   1.11   0.35   1.37 
1 1 1   12   13    5 o   9.4267   0.2645   14.150   98.900  -0.57   0.66  -0.23   1.17 
1 1 1   12   13    6 o   7.8195   0.3247   2.3941 -103.1000  -0.63  -0.87  -0.08  -2.19 
1 1 1   12   13    7 o   11.654   1.1076   11.080  155.600 -22.58   1.60  -6.78   1.22 
1 1 1   12   13    8 o   4.7634   0.4580   7.1754 -120.4000  -0.47  -0.36   0.09  -1.10 
1 1 1   12   13    9 o   16.930   0.4374   11.174   33.900   4.21   6.33   1.22  -5.06 
1 1 1   12   13   10 o   12.303   0.2632   16.469  103.100  -0.50   0.24  -0.05   0.04 
1 1 1   12   13   11 o   17.628   0.1871   17.769   81.100   1.58  -0.39  -0.84   1.00 
1 1 1   12   13   12 f   3.4796   0.5613   9.6481 -156.0000  -0.07  -0.61   1.23  -1.18 
1 1 1   12   13   13 o   23.716   0.6998   17.366   65.200  10.25  -2.01  -2.41   0.65 
1 1 1   12   13   14 o   13.454   0.4551   14.825  111.500   2.31   6.66   2.87  -3.13 
1 1 1   12   13   15 o   6.2406   0.6053   6.9776  143.200  -2.20   2.15  -0.06   0.61 
1 1 1   12   13   16 o   19.329   0.3296   21.319 -174.9000  -1.73  -4.38   1.49  -0.89 
1 1 1   12   13   17 o   14.745   0.2538   9.3107  104.100   1.85   0.91  -1.03  -0.67 
1 1 1   12   13   18 f   5.1000   0.4313   11.269 -14.5000  -0.12  -1.19   1.64  -2.01 
1 1 1   12   13   19 o   10.286   0.2616   9.6468  163.500   0.18   0.16  -0.15  -0.02 
1 1 1   12   13   20 o   11.391   0.7564   3.7250 -144.3000  -1.99  -9.81   2.58  -0.76 
1 1 1   12   13   21 f   8.3574   1.1042   8.5502   28.200   4.84  12.71   2.10  -1.62 
1 1 1   12   13   22 o   13.790   0.4169   10.754   28.100   3.03   3.92  -0.09  -2.80 
1 1 1   12   13   23 o   12.646   0.2644   11.913  169.200   0.31   2.67   2.46  -3.45 
1 1 1   12   13   24 f   5.5046   0.5714   8.7856   5.8000   2.88   1.01  -0.79  -1.02 
1 1 1   12   13   25 o   4.1828   0.9110   5.7233   78.500   0.51  -1.14   0.16   0.12 
1 1 1   12   13   26 o   6.4836   0.5087   3.6152   26.800  -1.03  -0.45  -0.10  -0.29 
1 1 1   12   13   27 o   3.4249   1.5612   8.6345 -143.5000  -0.76  -1.15   0.04  -0.24 
1 1 1   12   14    0 o   11.730   0.3315   6.5155   1.9000   0.28   0.00   0.00   0.00 
1 1 1   12   14    1 o   14.310   0.4646   16.016   68.400   2.81   0.69  -0.44  -0.29 
1 1 1   12   14    2 o   13.609   0.3373   11.408 -173.9000  -3.05   6.62   4.51   4.09 
1 1 1   12   14    3 o   29.772   0.1983   22.783 -102.6000  -1.82   1.07  -3.96   1.22 
1 1 1   12   14    4 o   12.270   0.4301   12.303   56.200   8.02  -1.68  -5.41   3.06 
1 1 1   12   14    5 o   14.904   0.3341   18.376   89.000   1.65   0.76  -0.48  -0.39 
1 1 1   12   14    6 o   13.963   0.8406   9.4137 -37.4000  18.53   1.70  -8.06  -2.11 
1 1 1   12   14    7 o   26.144   0.6585   27.003 -100.5000 -14.70  -2.78  -5.41  -1.33 
1 1 1   12   14    8 f   3.5645   0.6710   1.9709   26.900   1.19   0.95  -0.11  -0.35 
1 1 1   12   14    9 o   16.714   0.8723   18.383   13.600  12.64  -2.78  -3.27   1.85 
1 1 1   12   14   10 o   26.274   0.2687   26.888  151.500  -0.96   2.09   0.23   0.57 
1 1 1   12   14   11 o   9.0421   0.3763   6.5858  154.600   0.30   1.74   0.34  -0.18 
1 1 1   12   14   12 o   15.569   0.2046   15.244 -49.2000  -0.27  -0.42   0.08  -0.08 
1 1 1   12   14   13 o   15.056   0.2666   16.491   71.400  -3.02   0.44  -1.90   0.01 
1 1 1   12   14   14 o   15.883   0.6463   10.747 -47.5000  10.88   4.56  -3.31  -4.39 
1 1 1   12   14   15 o   17.767   0.7446   17.635 -79.8000 -15.45 -10.75  -2.98  -6.09 
1 1 1   12   14   16 o   10.873   0.8810   9.7379   33.900  14.09   6.56  -3.36  -3.46 
1 1 1   12   14   17 o   8.6544   0.3736   2.3701 -74.8000  -2.69  -2.18   0.10  -1.73 
1 1 1   12   14   18 o   16.692   0.2175   18.332   9.2000   0.38  -0.49   0.53  -0.08 
1 1 1   12   14   19 f   3.0003   1.3737   3.2341   9.2000  -0.34   0.44   0.00   0.03 
1 1 1   12   14   20 o   16.836   0.8187   19.294  118.100 -17.76   5.98  -5.61   5.73 
1 1 1   12   14   21 o   11.247   0.2792   9.3568   96.200   2.17   0.61  -0.66  -0.82 
1 1 1   12   14   22 o   11.223   0.4617   9.9744   2.1000   2.86  -1.84  -0.17   1.57 
1 1 1   12   14   23 o   16.994   0.2301   18.581 -149.2000  -1.25   0.14  -0.10   2.06 
1 1 1   12   14   24 o   17.245   0.3885   16.301   80.300   0.38   0.62  -0.09  -0.20 
1 1 1   12   14   25 o   13.385   0.7998   9.8922  -0.5000   3.95   0.91  -0.53  -0.12 
1 1 1   12   14   26 o   10.974   0.7323   13.377 -89.2000   3.39  -2.85  -0.25   0.62 
1 1 1   12   14   27 o   16.390   0.2853   9.9015 -162.8000  -0.86  -0.40  -0.17   0.00 
1 1 1   12   15    0 o   13.401   0.3027   5.2323  179.900  -0.19   0.00   0.00   0.00 
1 1 1   12   15    1 o   9.8083   1.0661   14.318   72.600  -1.23  18.32   5.18   0.46 
1 1 1   12   15    2 o   14.745   0.3996   11.033 -89.0000  -2.68  -1.32  -0.45  -0.44 
1 1 1   12   15    3 o   9.5865   0.2949   8.3572 -119.9000   3.28   0.54  -2.32  -0.35 
1 1 1   12   15    4 o   10.426   0.2616   12.527   99.500   0.63   0.33  -0.60  -0.32 
1 1 1   12   15    5 f   12.355   0.7495   10.640   34.800  -1.05   9.59   2.22   0.65 
1 1 1   12   15    6 o   18.515   0.7697   18.954   40.100   9.98   3.78  -1.43  -1.49 
1 1 1   12   15    7 f   11.722   0.2497   4.9949  147.700   1.94   0.78  -0.96  -1.88 
1 1 1   12   15    8 o   5.1953   1.0538   8.3060   47.500   2.94   3.59   0.12  -0.82 
1 1 1   12   15    9 o   11.455   0.5583   6.1237  -2.8000   4.79   2.19  -1.07  -1.00 
1 1 1   12   15   10 o   13.596   0.2176   10.785  116.600  -1.88   0.46  -0.53   0.45 
1 1 1   12   15   11 o   11.487   0.3707   3.3697 -92.7000   0.31  -1.74   0.20   0.04 
1 1 1   12   15   12 o   9.8028   0.2752   1.8092 -134.1000   0.27  -1.02   2.30  -0.44 
1 1 1   12   15   13 o   32.670   1.1300   30.648   28.500  13.13  20.97   4.64  -6.61 
1 1 1   12   15   14 o   35.517   0.8929   24.434   83.900  -4.34  16.56   2.98   1.10 
1 1 1   12   15   15 o   9.2563   0.2846   14.283 -145.6000   0.06  -0.06  -0.00   0.00 
1 1 1   12   15   16 o   15.786   0.5684   16.862 -144.1000  -1.12  -0.12  -0.05  -0.02 
1 1 1   12   15   17 o   1.7477   0.9557   5.6135  127.100  -0.09   0.59   0.20   0.01 
1 1 1   12   15   18 o   10.892   0.5755   10.869   97.200   3.32   7.38   2.19  -1.83 
1 1 1   12   15   19 o   11.477   0.3880   10.037 -89.7000  -2.28  -3.09   0.01  -2.02 
1 1 1   12   15   20 o   13.442   0.2654   11.928 -158.1000   0.35  -0.77   0.04   0.32 
1 1 1   12   15   21 o   20.228   0.2359   16.848   18.400   2.74   3.55   2.86  -2.38 
1 1 1   12   15   22 o   2.7617   0.8623   5.5955  105.800   0.85   0.56  -0.36  -0.37 
1 1 1   12   15   23 f   11.956   0.4378   14.415 -134.7000  -1.36  -3.88   1.09  -0.43 
1 1 1   12   15   24 o   4.0230   1.4666   2.6154   73.000   3.61   1.53  -0.57  -0.81 
1 1 1   12   15   25 o   5.3303   0.6148   9.3888  104.600  -0.14  -0.01  -0.01  -0.02 
1 1 1   12   15   26 o   7.4125   0.5014   6.7454   36.700   0.80   0.73  -0.28  -0.24 
1 1 1   12   16    0 f   23.784   0.2723   22.786  -0.1000   0.54   0.00   0.00   0.00 
1 1 1   12   16    1 o   12.946   0.2221   12.940   95.300   0.73   0.09  -0.46  -0.52 
1 1 1   12   16    2 o   12.654   0.5535   14.976 -155.5000   3.91  -7.89   2.15   3.65 
1 1 1   12   16    3 f   5.7049   0.5077   5.1162 -95.1000   2.53  -2.51   0.15   1.39 
1 1 1   12   16    4 o   13.249   0.7185   17.857 -10.9000  12.92  -7.11  -2.19   4.15 
1 1 1   12   16    5 o   10.298   0.5109   12.997  167.400  -8.16  -3.55  -3.57  -4.97 
1 1 1   12   16    6 o   10.623   0.6719   7.1712   64.700   5.14   1.40  -0.73  -0.52 
1 1 1   12   16    7 f   9.4776   0.8766   4.0158 -122.8000  14.06   3.07  -3.78  -2.02 
1 1 1   12   16    8 o   20.589   0.4572   14.498   89.800   2.84   2.03  -0.47  -0.73 
1 1 1   12   16    9 o   13.769   0.4355   9.7282  -7.6000   3.41  -6.10   2.34   2.65 
1 1 1   12   16   10 o   18.816   0.3273   12.187  128.800   1.00   2.18   1.00  -0.54 
1 1 1   12   16   11 o   12.923   0.2565   9.1465 -174.3000   0.10   0.92   0.52  -0.55 
1 1 1   12   16   12 f   3.2939   0.6656   8.2566   27.300   0.20   0.38  -0.27  -0.95 
1 1 1   12   16   13 o   11.345   0.3555   13.724 -97.5000  -0.44  -0.04  -0.03  -0.01 
1 1 1   12   16   14 o   11.528   0.5274   7.6154 -135.5000  -5.65  -1.59  -1.77  -0.62 
1 1 1   12   16   15 o   22.362   0.3038   20.829 -89.9000  -5.50  -5.71  -4.19  -6.86 
1 1 1   12   16   16 o   6.4232   0.4010   3.5469 -78.7000  -1.47   0.10  -1.29  -0.42 
1 1 1   12   16   17 o   1.1801   0.9907   2.1731 -31.0000   0.20   0.13  -0.07  -0.06 
1 1 1   12   16   18 o   11.775   0.2646   8.9942   4.5000   0.77  -0.30  -0.08   0.26 
1 1 1   12   16   19 o   4.2706   1.0509   1.8635   13.600   2.24   2.16  -0.15  -0.73 
1 1 1   12   16   20 o   22.297   0.4075   20.889  138.900  -1.69   3.56   1.25   0.53 
1 1 1   12   16   21 o   10.474   0.8704   9.7090  164.800  -8.04  -7.07  -0.74  -2.76 
1 1 1   12   16   22 o   3.4260   1.1364   2.6594   80.700  -0.61   0.88   0.02   0.12 
1 1 1   12   16   23 f   28.403   0.2216   24.285 -108.5000   3.87  -3.08  -1.31   1.12 
1 1 1   12   16   24 o   2.4264   1.1738   0.7120 -13.9000   0.12   0.08  -0.00  -0.00 
1 1 1   12   16   25 o   5.6007   0.8143   6.0922   43.900   1.44   1.56  -0.15  -0.47 
1 1 1   12   17    0 o   17.257   0.3018   4.3272   1.6000   0.02   0.00   0.00   0.00 
1 1 1   12   17    1 o   4.2757   0.6325   7.8087 -176.4000   0.70  -2.47   0.72   0.57 
1 1 1   12   17    2 o   6.6348   0.7772   4.5775   1.1000   3.27   1.13  -0.42  -0.39 
1 1 1   12   17    3 o   5.4829   0.4340   3.0616  144.400   0.57   0.46  -0.50  -0.61 
1 1 1   12   17    4 o   14.522   1.0265   14.416  167.100  -8.88 -14.26   2.37  -3.92 
1 1 1   12   17    5 o   17.868   0.2153   14.230 -174.1000  -0.73  -2.04   0.51  -3.60 
1 1 1   12   17    6 o   24.406   0.5676   26.597   46.000   0.68   5.42   0.98  -0.05 
1 1 1   12   17    7 o   17.344   0.4940   9.4555 -35.1000   1.78  -1.24  -0.05   0.38 
1 1 1   12   17    8 o   22.860   0.6686   16.964  151.000  -2.10   0.81  -0.10   0.13 
1 1 1   12   17    9 o   16.703   0.5712   13.806 -145.2000  -5.21  -6.66   0.91  -2.23 
1 1 1   12   17   10 o   10.934   0.6957   2.6020 -84.6000   2.77  -5.46   0.62   1.06 
1 1 1   12   17   11 o   17.331   0.3476   5.2268 -63.6000   1.03  -2.32   0.54   1.96 
1 1 1   12   17   12 o   3.1658   1.4547   3.9286  110.600  -1.31   0.65  -0.14   0.14 
1 1 1   12   17   13 o   23.293   0.6959   24.019   45.800   1.18   8.55   4.05   0.51 
1 1 1   12   17   14 o   12.311   0.2685   11.278   76.700  -0.45  -0.30  -0.13  -0.08 
1 1 1   12   17   15 o   13.793   0.2527   14.175 -149.1000  -0.01   0.98   0.46  -0.46 
1 1 1   12   17   16 o   7.7503   0.6182   5.1016 -147.7000  -1.37  -0.49  -0.08  -0.09 
1 1 1   12   17   17 o   8.7048   0.3486   10.704  151.100  -0.02   3.35   2.96  -1.25 
1 1 1   12   17   18 o   21.073   0.2216   18.970  149.900  -0.58   0.63   0.37   0.11 
1 1 1   12   17   19 o   13.918   0.2534   8.8281 -85.6000  -0.55  -2.76   1.18  -1.79 
1 1 1   12   17   20 o   9.4470   0.4102   8.6530 -97.5000  -0.16  -1.48   0.25  -0.14 
1 1 1   12   17   21 o   16.907   0.2446   20.074   32.000   0.92   0.13  -0.30   0.45 
1 1 1   12   17   22 o   9.6086   0.3754   6.9134  135.500  -0.30   0.32  -0.32  -0.03 
1 1 1   12   17   23 o   6.4119   1.3029   9.2682 -100.3000  -0.66  -4.67   0.65  -0.08 
1 1 1   12   17   24 o   0.0000   2.3121  ?   ?   -0.40  -0.67   0.04  -0.20 
1 1 1   12   18    0 o   4.1352   0.8228   3.1463  175.900   0.01   0.00   0.00   0.00 
1 1 1   12   18    1 o   6.8135   0.4539   5.8818  114.800   1.21   0.39  -0.20  -0.21 
1 1 1   12   18    2 o   7.8939   0.7497   4.4150 -148.7000  -8.00   1.56  -2.58   1.38 
1 1 1   12   18    3 o   9.1056   1.0110   9.2388 -31.2000   3.46   4.32   0.22  -0.70 
1 1 1   12   18    4 o   19.071   0.4617   19.265 -32.6000  -4.90  -0.31  -0.83  -0.26 
1 1 1   12   18    5 o   7.3029   0.6804   8.8145 -165.6000  -3.35  -5.05   1.31  -2.15 
1 1 1   12   18    6 o   9.3193   0.4771   7.8698  -3.5000   3.49   1.64  -1.04  -0.89 
1 1 1   12   18    7 o   11.169   1.2443   11.417   47.700  27.42  -4.41  -6.83   1.82 
1 1 1   12   18    8 o   14.927   0.2482   10.161   81.200  -0.37  -0.31  -0.84   0.23 
1 1 1   12   18    9 o   6.9005   0.4065   5.9037 -91.4000   0.27  -1.47   0.76  -0.06 
1 1 1   12   18   10 o   7.8817   0.3950   5.8500 -157.0000  -1.73  -0.79  -0.84  -0.39 
1 1 1   12   18   11 o   8.7613   0.4296   5.5390 -166.7000  -1.92  -1.19  -0.02  -1.26 
1 1 1   12   18   12 o   6.2130   0.4600   11.354  103.500   0.53   0.65  -3.06  -0.61 
1 1 1   12   18   13 f   5.5251   0.5381   6.7499 -96.2000  -1.00  -1.50   0.44  -0.54 
1 1 1   12   18   14 o   7.7841   0.8207   7.4382 -138.8000  -5.81  -0.37  -1.24   0.02 
1 1 1   12   18   15 o   14.610   0.3527   13.845 -75.8000  -4.65  -4.32  -1.47  -3.49 
1 1 1   12   18   16 o   18.263   0.3666   15.068 -100.3000   0.54  -2.22   0.83  -0.11 
1 1 1   12   18   17 f   8.8813   0.4994   5.2719   78.700   2.04  -0.63  -0.34   0.47 
1 1 1   12   18   18 o   2.3404   0.8929   0.4281   74.300   0.07  -0.03  -0.01  -0.00 
1 1 1   12   18   19 o   7.1550   0.4489   4.0755  109.700  -1.65  -0.72  -0.03  -2.27 
1 1 1   12   18   20 o   11.427   0.5294   9.5640  166.300  -3.43  -1.10  -0.57  -0.83 
1 1 1   12   18   21 o   6.3084   1.2297   2.4065 -151.3000  -2.98  -4.69   0.27  -1.09 
1 1 1   12   18   22 o   5.7713   0.7054   3.5951   23.400   0.54   1.61   0.26  -0.09 
1 1 1   12   18   23 o   10.490   0.3974   6.6722 -104.3000   0.06   0.53  -0.02   0.24 
1 1 1   12   19    0 o   6.3008   0.5791   3.5111   1.5000   0.18   0.00   0.00   0.00 
1 1 1   12   19    1 o   0.0000   2.0059  ?   ?   -0.12  -0.16  -0.00  -0.05 
1 1 1   12   19    2 o   10.530   0.6049   6.6556 -43.0000   5.77  -0.12  -1.54  -0.15 
1 1 1   12   19    3 o   21.866   0.6047   16.812   98.800   0.38   8.85   2.48  -0.71 
1 1 1   12   19    4 o   20.474   0.6478   18.781  142.500   4.12  17.30   6.21  -4.50 
1 1 1   12   19    5 o   15.233   0.2436   15.664 -59.7000   1.77   0.13  -0.74  -1.52 
1 1 1   12   19    6 o   18.625   0.2178   21.992   40.100  -1.17   4.38   1.50   3.87 
1 1 1   12   19    7 o   0.2592   0.7806   3.6531   27.600   0.21   0.19  -0.02  -0.05 
1 1 1   12   19    8 f   14.668   0.2536   17.164 -168.3000   0.64  -0.42   0.60  -1.36 
1 1 1   12   19    9 o   11.879   0.5521   17.555 -141.3000  -3.52  -4.80   1.42  -2.26 
1 1 1   12   19   10 o   6.5080   0.5093   1.2700 -72.5000  -0.84  -1.47   0.37  -0.34 
1 1 1   12   19   11 f   6.2711   0.8991   4.5495 -175.8000   3.68  -2.09  -0.70   0.81 
1 1 1   12   19   12 o   8.7316   0.3871   9.4861  170.200  -2.43  -0.92  -0.66  -1.59 
1 1 1   12   19   13 o   1.8077   0.9595   5.3887  -0.6000   0.41  -0.20  -0.01   0.27 
1 1 1   12   19   14 f   5.4924   0.7443   4.4155   57.600   1.49   3.36   1.05  -0.70 
1 1 1   12   19   15 o   0.0000   2.2827  ?   ?   -0.32  -0.22   0.01  -0.13 
1 1 1   12   19   16 o   3.0745   0.8298   1.6287   38.800   0.00  -0.08   0.01  -0.02 
1 1 1   12   19   17 o   7.5804   0.9633   8.0946 -116.4000  -0.04  -7.36   1.35   0.16 
1 1 1   12   19   18 o   14.493   0.3915   11.909 -171.9000  -2.24  -5.70   2.03  -0.85 
1 1 1   12   19   19 o   6.3752   0.5286   9.8368 -23.1000   0.20  -1.45   0.74  -0.29 
1 1 1   12   19   20 o   12.116   0.6950   13.511 -63.4000   2.17  -2.86   0.31   0.47 
1 1 1   12   19   21 f   8.8209   0.4504   12.685   44.800  -0.56   0.21   0.02  -0.42 
1 1 1   12   19   22 o   10.049   0.4343   4.6075 -156.8000  -0.82  -0.44  -0.21  -0.01 
1 1 1   12   20    0 o   10.794   0.4488   11.855  179.700  -0.24   0.00   0.00   0.00 
1 1 1   12   20    1 o   5.1179   0.5167   6.2316   64.800   0.09   0.43   0.13   0.03 
1 1 1   12   20    2 o   10.095   0.3341   5.3275 -118.9000   2.06   0.10  -1.43  -1.76 
1 1 1   12   20    3 o   13.919   0.2449   19.956 -115.0000   0.25  -0.55  -0.65  -0.75 
1 1 1   12   20    4 o   8.2224   0.6156   7.7659  161.000  -1.86  -0.46  -0.17  -0.15 
1 1 1   12   20    5 o   1.1606   1.1023   2.2523   36.100   0.29   0.26  -0.10  -0.13 
1 1 1   12   20    6 o   13.943   0.2530   11.329 -95.1000  -1.49   0.66  -3.31  -1.94 
1 1 1   12   20    7 o   3.7408   1.3309   1.8950   13.300   0.29  -0.63   0.02   0.04 
1 1 1   12   20    8 o   2.7070   0.8792   4.2990   92.500   0.94   0.25  -0.23  -0.24 
1 1 1   12   20    9 o   11.075   0.3029   12.298 -87.3000   0.07  -1.12   0.54  -0.36 
1 1 1   12   20   10 o   9.3179   0.5349   12.781 -128.7000  -9.04  -0.34  -4.06   0.51 
1 1 1   12   20   11 o   6.6869   0.4613   5.0245 -47.5000  -0.40   0.29  -0.10   0.08 
1 1 1   12   20   12 o   14.181   1.2466   13.723  137.400 -22.08   2.71  -5.22   0.58 
1 1 1   12   20   13 o   9.1162   0.3730   6.2211 -131.8000  -0.50   1.50   1.40  -0.26 
1 1 1   12   20   14 o   8.6611   0.4069   3.6653 -99.8000  -0.06  -0.27  -0.07   0.22 
1 1 1   12   20   15 o   13.763   0.4123   14.821 -73.7000  -2.22  -5.17   0.97  -2.10 
1 1 1   12   20   16 o   7.5861   1.3188   11.411 -81.8000  -3.59  -3.39  -0.12  -0.54 
1 1 1   12   20   17 o   7.2059   0.6017   1.7251   39.600  -1.87   0.88  -0.31   0.20 
1 1 1   12   20   18 o   10.399   0.3927   10.375 -158.9000  -1.02  -0.18  -0.39   0.39 
1 1 1   12   20   19 o   0.0000   2.3310  ?   ?   -0.41  -0.72   0.14  -0.14 
1 1 1   12   20   20 o   5.4703   2.4278   4.7714  -0.8000   3.35   1.40  -0.29  -0.23 
1 1 1   12   21    0 o   8.6545   0.4913   0.8011  175.600   0.27   0.00   0.00   0.00 
1 1 1   12   21    1 o   6.0659   1.3616   4.2544 -98.3000   2.30  -8.35   2.07   0.92 
1 1 1   12   21    2 o   8.8994   0.3821   8.6660 -105.8000   0.56  -0.31  -0.58  -0.10 
1 1 1   12   21    3 o   4.3503   0.7430   2.6808 -37.5000  -0.02  -1.34   0.33   0.09 
1 1 1   12   21    4 o   8.5008   0.7804   7.5431  122.600   1.43   6.48   1.25  -0.87 
1 1 1   12   21    5 o   7.9605   0.8056   10.395 -28.9000   0.67  -0.43  -0.01   0.02 
1 1 1   12   21    6 o   5.0090   0.5789   2.1337   91.100   0.24   0.09   0.32   0.24 
1 1 1   12   21    7 o   4.8008   0.6268   9.0566  -6.1000   0.29   0.08   0.10  -0.20 
1 1 1   12   21    8 o   2.7814   0.9451   1.7961 -76.8000   0.86   0.56   0.07  -0.57 
1 1 1   12   21    9 o   10.757   0.6349   6.0186  101.200  -3.89   1.92  -0.94   0.67 
1 1 1   12   21   10 o   5.3239   0.5867   4.0634 -147.1000  -0.94   0.63  -0.00   0.22 
1 1 1   12   21   11 o   8.0490   0.4281   7.5325 -71.2000   1.21  -0.38  -1.32  -0.81 
1 1 1   12   21   12 o   12.119   1.3384   6.5219 -140.0000  -7.47 -13.32   1.53  -1.91 
1 1 1   12   21   13 o   0.0000   2.2787  ?   ?    0.11   0.05  -0.06   0.04 
1 1 1   12   21   14 o   3.9002   0.7265   4.7778 -37.9000   0.36  -0.19   0.46  -0.54 
1 1 1   12   21   15 o   3.7993   1.0203   1.4776   13.300  -0.12   0.36   0.01   0.02 
1 1 1   12   21   16 o   2.7851   0.8992   1.7469 -104.7000   0.02  -0.14  -0.03  -0.06 
1 1 1   12   21   17 o   10.610   0.4227   9.8150 -58.5000   1.94  -1.31  -0.53   0.35 
1 1 1   12   21   18 o   7.5556   1.4831   5.2298 -167.2000  -3.36  -5.07   0.50  -0.66 
1 1 1   12   21   19 o   12.465   0.6758   11.391 -24.1000   1.86  -5.70   1.79   0.29 
1 1 1   12   22    0 o   4.0620   1.0089   3.2741   0.4000  -0.11   0.00   0.00   0.00 
1 1 1   12   22    1 o   3.1515   0.7970   7.4500   82.400  -0.95   0.41  -0.55   0.15 
1 1 1   12   22    2 o   8.0028   0.6533   6.8850 -176.6000  -3.48  -3.54  -0.33  -1.45 
1 1 1   12   22    3 o   10.571   0.3430   11.456 -108.5000  -2.72  -0.04  -1.32   0.83 
1 1 1   12   22    4 o   4.2306   0.6874   5.2599   22.400   0.18  -0.02   0.13  -0.03 
1 1 1   12   22    5 o   3.4492   0.8130   4.2124   73.900  -0.18   0.71   0.10   0.17 
1 1 1   12   22    6 o   10.973   0.3551   5.7478 -175.1000  -1.23  -0.06  -0.34  -0.56 
1 1 1   12   22    7 o   9.5456   0.3902   10.761  110.600   3.97   2.09  -1.94  -1.16 
1 1 1   12   22    8 o   0.0000   2.2593  ?   ?    0.06  -0.00   0.03  -0.03 
1 1 1   12   22    9 o   12.055   0.4692   11.112 -13.4000   3.83  -0.62  -1.29  -0.06 
1 1 1   12   22   10 o   12.377   0.6698   9.2581 -26.0000   6.00  -0.75  -2.03  -0.16 
1 1 1   12   22   11 o   2.5785   1.0161   5.0885   12.900   0.18   0.19   0.15  -0.01 
1 1 1   12   22   12 o   5.0976   0.6522   3.5078   84.300   0.36   0.50  -0.31  -0.24 
1 1 1   12   22   13 o   0.6106   1.0958   2.0608 -128.9000   0.27   1.01   0.13  -0.12 
1 1 1   12   22   14 o   3.8273   0.7912   2.5937 -52.6000  -0.23  -0.06  -0.00  -0.04 
1 1 1   12   22   15 f   0.0000   2.3247  ?   ?   -0.31  -0.72   0.06  -0.10 
1 1 1   12   22   16 f   3.7709   1.3539   5.8148 -131.9000   0.91  -0.40  -0.17   0.04 
1 1 1   12   22   17 o   5.9430   0.6929   9.2511   68.000  -0.09   0.39   0.03  -0.01 
1 1 1   12   23    0 o   8.6891   0.6264   9.9275   0.1000   0.15   0.00   0.00   0.00 
1 1 1   12   23    1 o   10.973   0.8552   8.3146 -28.2000   2.70 -18.83  11.07   0.69 
1 1 1   12   23    2 o   12.241   0.3245   9.7138 -30.2000  -0.15  -0.60   0.03  -0.12 
1 1 1   12   23    3 o   4.2397   0.7345   5.9129 -61.5000  -0.22  -0.06   0.01   0.15 
1 1 1   12   23    4 o   10.042   0.4153   6.0447 -56.9000  -1.47  -2.70   0.63  -0.44 
1 1 1   12   23    5 o   14.002   0.6416   13.138  155.000  -6.13  -5.95   0.36  -1.75 
1 1 1   12   23    6 o   5.7667   0.7651   5.4907  -2.6000   0.70  -0.34  -0.05   0.03 
1 1 1   12   23    7 o   15.780   0.6012   12.924   11.500   4.01   2.47  -0.11  -1.10 
1 1 1   12   23    8 o   6.9151   0.5382   6.9895   75.400   0.18   0.23   0.10   0.09 
1 1 1   12   23    9 o   8.1774   0.5789   7.1944   74.300  -1.64   2.21  -0.13   0.79 
1 1 1   12   23   10 o   3.1537   0.9573   5.3280 -34.2000   0.17  -0.54   0.04   0.10 
1 1 1   12   23   11 o   0.4038   0.9922   2.7589  176.500  -0.52   0.07  -0.08   0.10 
1 1 1   12   23   12 o   4.7045   0.7401   4.5603 -56.8000  -0.67  -0.21  -0.00  -0.20 
1 1 1   12   23   13 f   4.0332   0.8417   3.2325   26.000  -0.29  -0.03  -0.02  -0.03 
1 1 1   12   23   14 o   11.239   0.3999   10.374 -43.6000   0.26  -1.30   0.23  -0.61 
1 1 1   12   23   15 o   0.0000   2.6051  ?   ?    0.07   0.28   0.10   0.06 
1 1 1   12   24    0 o   2.0494   1.3904   9.1659   0.1000  -0.12   0.00   0.00   0.00 
1 1 1   12   24    1 o   8.4270   0.4565   8.3369 -158.4000  -1.33   0.25  -0.60  -0.47 
1 1 1   12   24    2 o   4.7982   0.7696   6.5131   70.000   0.05  -0.11  -0.01   0.01 
1 1 1   12   24    3 o   3.8473   0.8496   3.3533 -74.1000  -1.37  -0.28  -0.85   0.50 
1 1 1   12   24    4 o   10.232   0.4301   13.757 -47.5000   0.54   0.21   0.31   0.29 
1 1 1   12   24    5 o   11.275   0.4184   12.017  145.300   0.66  -2.20   0.60  -0.05 
1 1 1   12   24    6 o   12.668   0.3682   14.176  102.600  -0.55   2.74   1.05  -0.38 
1 1 1   12   24    7 o   5.0862   0.7692   6.6406  107.300  -2.07  -0.01  -0.54  -0.42 
1 1 1   12   24    8 o   0.0000   2.3888  ?   ?   -0.03   0.05   0.00  -0.02 
1 1 1   12   24    9 o   3.5977   0.9709   5.6686   25.000   0.88  -0.69  -0.33   0.20 
1 1 1   12   24   10 o   8.5194   0.4977   12.723   1.6000   0.38  -1.10   0.37  -0.16 
1 1 1   12   24   11 o   8.6888   0.5152   4.6769   32.100   0.54   0.49   0.23   0.04 
1 1 1   12   24   12 o   10.611   0.4357   7.1739   2.5000  -0.17   0.52  -0.07  -0.14 
1 1 1   12   25    0 o   0.0000   3.9623   2.1590  177.300  -0.08   0.00   0.00   0.00 
1 1 1   12   25    1 o   13.452   1.2316   14.491 -58.2000   5.15 -19.02   5.34   1.39 
1 1 1   12   25    2 o   3.1265   0.9881   6.3313  -7.4000   0.06   0.23  -0.06  -0.03 
1 1 1   12   25    3 o   2.3696   1.2472   5.4889 -150.3000   0.11  -0.41   0.01   0.08 
1 1 1   12   25    4 o   5.9391   0.9784   5.4122 -145.6000  -0.11   0.65   0.03  -0.01 
1 1 1   12   25    5 o   18.247   0.3588   17.272  143.000  -0.87   4.10   1.57  -0.93 
1 1 1   12   25    6 o   8.6298   0.5546   7.7998   66.800  -0.48  -0.59  -0.11  -0.06 
1 1 1   12   25    7 o   5.3290   0.7839   7.8097   29.400   0.11  -0.04   0.01  -0.01 
1 1 1   12   25    8 o   10.895   1.4046   8.7519  126.300  -6.77   2.56  -0.87   0.31 
1 1 1   12   25    9 o   0.0000   2.6566  ?   ?    0.13  -0.13   0.03   0.01 
1 1 1   12   26    0 o   0.0000   3.7148   3.4207  -1.1000  -0.06   0.00   0.00   0.00 
1 1 1   12   26    1 f   12.623   0.4425   16.487 -157.2000  -0.91   0.68  -0.23  -0.19 
1 1 1   12   26    2 o   9.8919   0.5230   9.2553   54.400   0.47   0.64  -0.06  -0.05 
1 1 1   13    0    1 o   9.6229   0.3070   0.4828 -49.2000  -0.00  -0.02   0.00   0.00 
1 1 1   13    0    2 o   18.799   0.2623   17.220  177.600   0.06   0.00   0.00   0.00 
1 1 1   13    0    3 f   13.885   0.2372   2.4342   94.600   0.00   0.03   0.00   0.00 
1 1 1   13    0    4 o   3.4496   0.6487   7.4513  -0.8000  -0.03   0.00   0.00   0.00 
1 1 1   13    0    5 o   12.353   0.2499   1.2044   99.500  -0.00  -0.02   0.00   0.00 
1 1 1   13    0    6 o   28.160   0.2673   32.190  180.000   0.37   0.00   0.00   0.00 
1 1 1   13    0    7 f   41.155   0.3111   40.298   90.400   0.00   0.20   0.00   0.00 
1 1 1   13    0    8 o   25.975   0.2365   22.754   0.7000   0.07   0.00   0.00   0.00 
1 1 1   13    0    9 o   27.067   0.2380   27.535 -89.6000  -0.00  -0.01   0.00   0.00 
1 1 1   13    0   10 o   6.4031   0.3265   8.3612  178.000  -0.09   0.00   0.00   0.00 
1 1 1   13    0   11 f   11.912   0.2063   16.798   89.500   0.00   0.12   0.00   0.00 
1 1 1   13    0   12 o   15.865   0.1930   8.3394 -179.4000   0.06   0.00   0.00   0.00 
1 1 1   13    0   13 o   8.7693   0.2006   11.398 -91.1000  -0.00  -0.08   0.00   0.00 
1 1 1   13    0   14 o   10.045   0.5958   12.133   0.2000   0.13   0.00   0.00   0.00 
1 1 1   13    0   15 o   0.0000   3.2249   8.1881   89.200   0.00   0.03   0.00   0.00 
1 1 1   13    0   16 o   10.378   0.5614   11.859  179.600  -0.15   0.00   0.00   0.00 
1 1 1   13    0   17 o   35.386   0.2998   33.956 -90.0000   0.00   0.04   0.00   0.00 
1 1 1   13    0   18 o   10.644   0.2568   2.4835  174.700  -0.35   0.00   0.00   0.00 
1 1 1   13    0   19 o   26.994   0.2496   31.925   90.000  -0.00  -0.21   0.00   0.00 
1 1 1   13    0   20 o   15.291   0.2255   7.3537  -0.6000   0.62   0.00   0.00   0.00 
1 1 1   13    0   21 o   6.3166   0.3448   8.3310   89.300   0.00   0.23   0.00   0.00 
1 1 1   13    0   22 o   5.4498   0.4635   12.554 -179.9000  -0.13   0.00   0.00   0.00 
1 1 1   13    0   23 o   7.9687   0.3484   2.1872 -90.8000  -0.00  -0.25   0.00   0.00 
1 1 1   13    0   24 o   19.024   0.2644   18.427  -0.1000  -0.62   0.00   0.00   0.00 
1 1 1   13    0   25 f   19.591   0.2718   17.923   90.000   0.00   0.48   0.00   0.00 
1 1 1   13    0   26 o   20.732   0.2808   16.218 -179.4000   0.04   0.00   0.00   0.00 
1 1 1   13    0   27 o   10.223   0.3771   5.4056   88.300  -0.00  -0.15   0.00   0.00 
1 1 1   13    0   28 o   14.089   0.3361   16.698   0.2000   0.30   0.00   0.00   0.00 
1 1 1   13    0   29 o   0.0000   2.7386   4.6233 -91.1000  -0.00  -0.01   0.00   0.00 
1 1 1   13    0   30 o   2.2361   1.1269   9.6117 -179.0000  -0.04   0.00   0.00   0.00 
1 1 1   13    1    0 o   0.0000   2.4495   15.637   90.400   0.00   0.00   0.00   0.00 
1 1 1   13    1    1 o   20.347   0.1635   18.669 -82.9000  -4.84  -0.34  -5.45  -0.07 
1 1 1   13    1    2 o   38.460   0.7210   40.143 -103.6000 -14.98  -5.29  -4.27  -2.94 
1 1 1   13    1    3 o   38.575   0.1999   31.469  145.600  -0.37   0.86   0.58   0.22 
1 1 1   13    1    4 o   19.400   1.4676   19.477  133.200 -45.69  -0.98 -17.48  -1.16 
1 1 1   13    1    5 o   18.655   0.1632   16.900 -45.9000  -0.89   0.06  -2.10  -0.65 
1 1 1   13    1    6 o   44.700   0.2244   41.996 -75.8000   0.67  -0.71  -4.37  -0.22 
1 1 1   13    1    7 o   44.639   0.3676   39.660   3.9000   0.78   1.64   0.31  -0.23 
1 1 1   13    1    8 o   15.476   0.5560   13.591 -11.9000  21.64  -6.69 -15.22   9.53 
1 1 1   13    1    9 o   22.934   0.1597   19.121 -140.2000  -7.46   6.01  -1.24  13.55 
1 1 1   13    1   10 o   13.177   0.7675   20.575   70.600  17.00  -4.02  -7.84   4.37 
1 1 1   13    1   11 o   14.640   1.1087   11.220 -11.4000   4.76  20.04   4.83  -2.25 
1 1 1   13    1   12 o   7.4753   0.2672   5.9938  176.600  -0.05   0.36   1.16  -0.35 
1 1 1   13    1   13 f   23.903   1.1409   30.234   15.600  14.69  16.96   0.56  -7.17 
1 1 1   13    1   14 o   12.707   0.2337   7.0403   69.700  -2.10   0.64  -1.69   1.74 
1 1 1   13    1   15 o   15.307   1.0955   9.4803   36.600  18.96  12.50  -2.22  -5.94 
1 1 1   13    1   16 o   17.876   0.1787   9.0460 -58.0000  -2.84  -1.65  -5.94  -4.39 
1 1 1   13    1   17 o   30.572   0.4037   29.804 -121.5000  -1.78  -0.35  -0.59   0.02 
1 1 1   13    1   18 o   34.415   1.0040   30.314  128.800 -34.61   0.76 -19.45  -2.41 
1 1 1   13    1   19 o   15.179   0.4435   12.326  112.300   3.28   3.72  -0.00  -1.30 
1 1 1   13    1   20 o   7.8654   0.8253   8.6300 -169.4000 -15.86   5.78  -4.53   4.15 
1 1 1   13    1   21 o   16.629   0.4680   17.841   7.9000   0.95   4.12   2.07  -0.28 
1 1 1   13    1   22 o   9.8909   0.2545   9.1997 -108.8000  -2.62  -0.08  -1.20   0.22 
1 1 1   13    1   23 o   6.2877   0.5842   9.0258   3.4000   2.99  -1.05  -0.72   0.46 
1 1 1   13    1   24 o   6.9509   0.4740   9.2249  116.500  -7.29  -0.88  -4.95  -1.92 
1 1 1   13    1   25 o   3.8113   0.4789   6.6551 -10.0000   0.22   0.00  -0.11   0.08 
1 1 1   13    1   26 o   20.306   0.6610   16.945 -115.9000  -4.23  -0.28  -0.65   0.04 
1 1 1   13    1   27 o   12.095   0.2355   13.829   78.500  -0.54   0.46  -0.70   0.43 
1 1 1   13    1   28 o   12.406   0.3411   11.056 -42.7000   1.63   0.69  -0.79  -0.27 
1 1 1   13    1   29 o   7.6075   0.3643   10.981 -80.5000   0.04  -0.62   0.33  -0.23 
1 1 1   13    1   30 o   6.8301   0.4424   8.9229  121.200   1.13   0.10  -0.21  -0.13 
1 1 1   13    2    0 o   39.815   0.2967   48.964 -89.8000  -0.00  -0.20   0.00   0.00 
1 1 1   13    2    1 o   22.667   1.5853   26.543   28.300   9.82  18.34   2.23  -3.15 
1 1 1   13    2    2 f   42.326   0.9976   26.128 -169.1000  -5.33   2.94  -1.21   1.44 
1 1 1   13    2    3 o   19.140   0.6423   33.327 -122.9000  -2.05  -5.55   1.89  -1.41 
1 1 1   13    2    4 o   34.428   1.5332   35.748 -91.1000  15.53 -18.03   0.62   6.23 
1 1 1   13    2    5 o   14.384   0.4853   15.154 -29.5000   1.86   2.19   0.11  -0.49 
1 1 1   13    2    6 o   28.882   0.6835   26.558  175.700   5.57  10.61   3.27  -4.02 
1 1 1   13    2    7 o   21.073   0.3503   16.074   54.800   1.83  -3.06   0.53   0.82 
1 1 1   13    2    8 o   31.762   0.7629   34.469   36.400  12.77  -4.19  -2.54   2.12 
1 1 1   13    2    9 o   32.114   1.9737   41.200 -98.7000 -16.79 -39.45   5.01  -5.64 
1 1 1   13    2   10 o   28.362   1.7232   18.073  140.900 -18.72  35.98   5.57   7.28 
1 1 1   13    2   11 o   15.694   0.9460   12.871   65.100   2.90  21.60  10.14  -3.30 
1 1 1   13    2   12 o   24.130   0.7250   25.060 -87.7000  -2.08  -4.51   0.52  -0.75 
1 1 1   13    2   13 o   29.878   0.2193   15.432   64.700   2.55   1.44  -0.29  -0.91 
1 1 1   13    2   14 f   21.115   0.6519   12.912 -110.6000   4.66  -7.90   3.16   4.36 
1 1 1   13    2   15 o   6.0964   0.4704   3.2351 -60.9000  -2.82   6.50   3.24   4.01 
1 1 1   13    2   16 f   9.1738   0.3283   4.4968 -89.9000   0.19   3.14   2.13  -0.60 
1 1 1   13    2   17 o   20.737   0.7999   22.415 -87.2000   7.16 -18.43   5.06   5.55 
1 1 1   13    2   18 o   12.450   0.6211   14.520 -174.0000  -4.75   7.28   1.91   3.34 
1 1 1   13    2   19 f   10.642   0.2433   20.643  130.200  -0.95   0.74   0.02   0.67 
1 1 1   13    2   20 o   4.7945   0.5138   6.6633 -24.9000   0.89  -4.70   4.37   1.01 
1 1 1   13    2   21 o   11.837   1.1120   6.0192   13.200  16.22   1.70  -3.63  -0.45 
1 1 1   13    2   22 o   10.886   0.3041   16.183  127.600  -1.58  -1.89   0.96  -1.66 
1 1 1   13    2   23 o   7.5076   0.5047   14.477 -32.1000   8.89   5.01  -3.31  -7.12 
1 1 1   13    2   24 o   18.165   0.3882   16.470  118.900   2.07   5.67   0.98  -1.18 
1 1 1   13    2   25 o   9.9664   1.0328   12.207   89.000  12.27  26.68   7.04  -9.48 
1 1 1   13    2   26 o   9.1154   0.3020   12.855  109.700   0.29   2.34   1.08  -0.01 
1 1 1   13    2   27 o   4.5090   0.4996   2.8503 -123.5000  -0.22   0.10  -0.01   0.01 
1 1 1   13    2   28 o   2.0376   0.8115   4.3174   64.200   0.04   0.13   0.07   0.32 
1 1 1   13    2   29 f   7.1902   0.3979   4.8566   12.500   0.26   0.47   0.93   0.48 
1 1 1   13    2   30 o   3.5769   0.6829   3.6782 -87.8000  -0.23  -0.08  -0.01  -0.07 
1 1 1   13    3    0 o   21.093   0.2275   29.614   90.400  -0.00  -0.02   0.00   0.00 
1 1 1   13    3    1 f   41.772   1.6761   48.534 -56.0000  41.04   5.14 -18.80  -6.09 
1 1 1   13    3    2 o   56.227   0.2679   54.330 -151.5000  -2.08  -2.76  -0.00  -1.29 
1 1 1   13    3    3 o   23.948   0.4863   34.881   95.000   1.22   0.30  -0.23  -0.17 
1 1 1   13    3    4 o   7.5379   0.2675   10.504  108.100  -1.74  -0.63  -3.77  -4.43 
1 1 1   13    3    5 o   49.912   1.0088   46.626  -6.9000  32.12   9.78  -7.41  -4.24 
1 1 1   13    3    6 f   34.022   0.2227   21.287   43.800   0.15  -0.17  -0.20   0.13 
1 1 1   13    3    7 o   22.356   0.6500   13.226   39.400  -7.14  20.12   8.55   7.67 
1 1 1   13    3    8 f   12.412   1.1781   9.8583 -97.3000  27.23 -21.50  -2.12   8.35 
1 1 1   13    3    9 o   41.204   0.6856   32.310 -145.5000 -19.74   4.91  -8.89   6.41 
1 1 1   13    3   10 o   4.7737   0.6790   4.3771  101.200  -3.26   4.35   0.82   3.44 
1 1 1   13    3   11 o   11.233   0.5598   11.310   5.9000   0.42  -1.67   0.21   0.10 
1 1 1   13    3   12 o   16.854   1.1632   22.726 -178.8000 -12.39 -22.35   4.30  -6.28 
1 1 1   13    3   13 o   29.494   0.6084   34.252   99.100  15.62   7.17 -15.03 -12.20 
1 1 1   13    3   14 o   20.047   0.9130   12.813 -51.3000  14.87  -3.25  -2.88   1.10 
1 1 1   13    3   15 o   14.730   2.3558   13.613   2.7000  75.48  21.40 -13.94  -9.01 
1 1 1   13    3   16 o   26.926   0.6751   26.016   59.300  -0.38   7.19   1.50   0.40 
1 1 1   13    3   17 o   40.718   0.2613   41.582 -110.3000   4.47  -0.45  -1.36  -0.22 
1 1 1   13    3   18 o   19.962   1.6326   22.438 -170.3000 -38.61 -13.72  -6.92  -6.28 
1 1 1   13    3   19 o   27.078   0.4233   23.650  118.900   5.34   7.50   0.00  -8.85 
1 1 1   13    3   20 o   2.9330   0.7171   6.8461 -139.5000  -1.60   0.55  -0.72   0.78 
1 1 1   13    3   21 o   7.1294   0.3728   6.2390 -30.6000   0.54  -1.65   0.90   0.30 
1 1 1   13    3   22 o   9.9856   0.2983   11.062 -14.4000   0.72   0.62   0.74  -1.11 
1 1 1   13    3   23 o   7.7618   0.8163   6.5058 -36.0000  13.95  -1.91  -5.64   1.17 
1 1 1   13    3   24 o   14.224   0.4204   6.9705  147.400  -5.37  -1.43  -2.21  -1.97 
1 1 1   13    3   25 o   15.233   0.5470   14.334  178.100  -3.39  -4.93   1.91  -2.63 
1 1 1   13    3   26 o   16.845   0.7754   18.481 -130.7000 -10.13  -5.03  -1.30  -1.39 
1 1 1   13    3   27 o   18.517   0.2026   20.495   86.000  -1.72   0.09  -0.54  -0.27 
1 1 1   13    3   28 o   10.821   0.3921   15.547 -19.6000   3.77  -0.69  -1.02   0.15 
1 1 1   13    3   29 o   20.044   0.5434   20.547 -109.7000  -2.18  -4.28   0.20  -1.60 
1 1 1   13    4    0 o   7.9561   0.3718   11.593 -89.7000  -0.00  -0.06   0.00   0.00 
1 1 1   13    4    1 o   25.144   0.9790   27.171   39.300  10.87   3.48  -2.97  -2.39 
1 1 1   13    4    2 o   43.923   1.1598   38.715  168.700 -14.24   4.73  -4.21   2.52 
1 1 1   13    4    3 o   29.472   0.7274   30.854 -109.9000  -0.02  -8.71   2.53   0.19 
1 1 1   13    4    4 f   12.994   0.4472   7.6560 -57.4000   6.05  -3.24  -2.23   2.99 
1 1 1   13    4    5 o   17.441   0.5936   14.419  -8.0000   5.38   7.73   0.60  -1.80 
1 1 1   13    4    6 o   19.639   0.1664   21.387  124.700  -0.00   0.07   0.03   0.08 
1 1 1   13    4    7 o   8.7297   0.2086   7.4565  108.300   0.06   0.18   0.07  -0.08 
1 1 1   13    4    8 o   31.087   0.7836   32.244   55.900  -9.68   6.98  -2.54   5.31 
1 1 1   13    4    9 f   28.238   2.1085   18.108 -98.4000 -21.55 -48.49   6.44  -7.62 
1 1 1   13    4   10 o   32.968   1.1972   27.667  137.200 -11.10  10.09  -0.05   3.03 
1 1 1   13    4   11 o   24.372   0.2053   34.247   16.300  -1.40   2.83  11.24   3.35 
1 1 1   13    4   12 o   15.207   0.3397   17.111 -66.4000  -1.50  -2.55   0.54  -1.46 
1 1 1   13    4   13 o   35.049   0.2352   35.231  118.500   0.18   0.30  -0.06  -0.12 
1 1 1   13    4   14 o   16.184   0.2129   21.334 -162.4000  -1.62   2.16  -0.29   3.94 
1 1 1   13    4   15 o   17.322   1.1733   21.832 -44.5000   2.39 -32.19  13.64   1.20 
1 1 1   13    4   16 o   9.8217   0.4006   4.7380   34.100  -1.03   3.08   1.06   0.61 
1 1 1   13    4   17 o   20.175   0.2196   19.093 -147.2000  -1.95   0.46  -0.76   8.75 
1 1 1   13    4   18 o   9.6583   0.6137   9.8570 -131.0000  -2.73  -1.81  -0.35  -0.62 
1 1 1   13    4   19 o   7.2370   0.8545   13.007  134.800   2.52   3.75   0.23  -0.71 
1 1 1   13    4   20 o   17.605   1.4956   14.128 -56.5000  25.09 -30.71   2.24   8.74 
1 1 1   13    4   21 o   11.044   0.7746   6.5380 -16.2000   6.37  -5.00  -0.21   1.75 
1 1 1   13    4   22 o   12.064   0.8722   8.8796  143.100  -4.93   8.31   1.12   1.64 
1 1 1   13    4   23 o   10.294   1.2535   9.3160   31.900  21.71  24.05   1.75 -11.20 
1 1 1   13    4   24 o   17.867   0.1739   18.938  176.800   0.01  -0.90   0.39  -0.30 
1 1 1   13    4   25 o   4.1030   0.7150   2.4833   45.100   0.96   6.30   2.69  -1.15 
1 1 1   13    4   26 o   19.046   0.5293   14.571  -5.6000   2.36   4.37   1.16  -1.06 
1 1 1   13    4   27 o   1.9874   0.7736   2.3360 -91.7000   0.01   0.02   0.01   0.00 
1 1 1   13    4   28 o   5.8833   0.4081   7.2597  168.100  -0.08  -0.30   0.24   0.18 
1 1 1   13    4   29 o   7.8109   0.6908   4.2082   69.100  -1.85   6.22   1.61   1.62 
1 1 1   13    5    0 o   29.968   0.2548   32.556   91.000   0.00   0.14   0.00   0.00 
1 1 1   13    5    1 o   30.384   0.4891   31.587 -70.4000   9.38   1.38 -11.86  -5.93 
1 1 1   13    5    2 o   45.021   0.2291   44.944 -163.0000   0.55  -0.15  -0.09   0.16 
1 1 1   13    5    3 o   10.974   0.2068   11.634   39.800  -0.46   0.31  -0.03   0.11 
1 1 1   13    5    4 o   21.640   0.1659   19.618  -5.0000  -0.30  -0.18  -0.38  -0.20 
1 1 1   13    5    5 f   25.706   1.3615   22.263   44.800  33.64  38.33   1.18 -11.10 
1 1 1   13    5    6 o   43.114   0.3148   36.413   89.100  -3.17   1.56  -2.12   1.45 
1 1 1   13    5    7 o   7.7520   1.1128   2.6941 -79.4000 -10.80  18.57   3.55   6.54 
1 1 1   13    5    8 o   15.620   0.8219   8.8648 -91.5000   2.58  -6.77   0.94   0.92 
1 1 1   13    5    9 o   39.542   0.3221   35.839 -138.0000 -11.74   2.40  -6.90   4.80 
1 1 1   13    5   10 o   6.7092   0.5303   10.291 -17.0000  -0.29  -7.24   5.93  -0.85 
1 1 1   13    5   11 o   21.741   0.2097   19.285 -122.1000  -0.32   0.10  -0.52  -0.65 
1 1 1   13    5   12 o   15.586   0.2229   24.849  161.200  -1.97  -3.45   6.36  -5.98 
1 1 1   13    5   13 o   24.587   0.5332   27.509   98.900 -16.11   4.53 -13.32   5.35 
1 1 1   13    5   14 o   22.498   1.2991   19.233   13.200  22.09  15.05  -1.78  -5.46 
1 1 1   13    5   15 o   36.513   1.5832   28.434 -21.3000  30.88   5.07  -5.49  -2.46 
1 1 1   13    5   16 o   28.829   0.3458   29.294   66.700  -1.07   3.10   0.93   1.74 
1 1 1   13    5   17 o   30.480   0.2288   32.001 -121.7000   0.11  -0.15   0.05  -0.05 
1 1 1   13    5   18 o   16.005   0.4160   14.501 -127.3000  -0.79  -1.43   0.23  -0.23 
1 1 1   13    5   19 o   19.249   0.8508   21.616  110.800  15.92  14.56  -1.59  -8.30 
1 1 1   13    5   20 o   9.8569   0.3176   7.0395 -93.6000  -2.35  -0.53  -1.99  -0.34 
1 1 1   13    5   21 f   14.935   1.0299   9.6385 -76.9000   4.21  -9.97   1.45   1.17 
1 1 1   13    5   22 o   15.077   0.5220   17.537   36.800   0.38   5.17   2.36   0.24 
1 1 1   13    5   23 o   3.2518   0.4521   2.7012 -17.4000  -0.32  -0.20  -1.14  -0.07 
1 1 1   13    5   24 o   13.730   0.1824   9.4648 -174.1000  -0.54   0.10   1.07  -2.14 
1 1 1   13    5   25 o   27.207   0.6951   20.785  144.900  -5.02  -1.11  -1.74  -2.70 
1 1 1   13    5   26 o   18.403   0.1878   20.769 -100.5000  -2.03  -0.72  -0.58  -0.21 
1 1 1   13    5   27 o   0.0000   1.8092  ?   ?    0.01   0.01  -0.01   0.01 
1 1 1   13    5   28 o   8.8587   0.7379   5.1216 -40.8000   5.71   2.45  -0.73  -1.01 
1 1 1   13    5   29 o   22.106   0.5899   18.514 -139.5000  -2.19  -0.17  -0.29   0.11 
1 1 1   13    6    0 o   19.144   0.2297   14.458   89.800  -0.00  -0.12   0.00   0.00 
1 1 1   13    6    1 o   19.870   0.5652   21.123   40.400  11.01  -8.02  -1.51   4.07 
1 1 1   13    6    2 f   19.917   1.0302   10.983  159.400 -29.55  19.79  -4.57  10.31 
1 1 1   13    6    3 o   18.472   0.5623   18.867 -76.6000  -2.34 -11.57   3.95  -1.89 
1 1 1   13    6    4 o   27.855   0.1782   27.915 -123.6000  -0.26   1.72   0.60   0.07 
1 1 1   13    6    5 o   11.372   0.8633   11.274   49.500  11.26  14.02   0.90  -4.50 
1 1 1   13    6    6 o   8.3670   0.2325   9.5662   91.100  -0.28  -0.02  -0.36   0.09 
1 1 1   13    6    7 o   20.710   0.1657   21.844  166.400  -0.22  -0.96   0.41  -0.08 
1 1 1   13    6    8 o   15.830   0.6300   13.955  165.900  -5.54   3.37  -0.83   1.39 
1 1 1   13    6    9 o   9.6372   0.8625   6.4373  -2.4000  -1.17 -10.66   2.57  -0.65 
1 1 1   13    6   10 f   13.107   0.2435   24.289  179.500   0.18   0.04  -0.02  -0.00 
1 1 1   13    6   11 o   17.596   0.3841   7.2928   67.300   1.51   3.91   1.13  -1.34 
1 1 1   13    6   12 o   25.375   0.3738   26.989 -68.6000   2.82  -0.42  -1.80   0.01 
1 1 1   13    6   13 o   7.8039   0.3785   0.8691  172.800  -0.36  -0.13   1.88  -2.13 
1 1 1   13    6   14 o   15.830   0.8621   15.550 -166.3000 -10.95   1.45  -3.22   0.59 
1 1 1   13    6   15 o   3.2305   0.7211   3.7141 -115.0000   0.03  -1.18   1.19  -0.24 
1 1 1   13    6   16 o   5.3649   0.5051   6.3342 -163.4000  -0.17   0.08   0.13   0.35 
1 1 1   13    6   17 o   10.685   0.7235   8.9592 -176.0000  -4.48   2.28  -0.48   0.81 
1 1 1   13    6   18 o   16.653   0.2345   19.014 -48.6000   0.07  -0.65  -3.14  -2.09 
1 1 1   13    6   19 o   17.864   0.2967   9.4670  160.100  -4.34  -4.16   1.16  -5.06 
1 1 1   13    6   20 f   13.672   0.9080   16.419 -33.8000   8.73   1.10  -1.90  -0.21 
1 1 1   13    6   21 o   10.370   0.8735   5.9731 -117.0000  -1.62  -5.55   0.87  -0.75 
1 1 1   13    6   22 o   7.3700   0.3950   5.2900  141.400  -2.33   2.05   1.03   4.24 
1 1 1   13    6   23 o   14.122   0.7878   15.476   63.100   2.02   6.45   0.99  -0.52 
1 1 1   13    6   24 o   4.6087   0.3618   5.4733 -147.5000   0.00   1.75   0.88   0.18 
1 1 1   13    6   25 o   9.0602   0.6728   7.6064 -128.2000  -3.71  -4.35   0.33  -1.22 
1 1 1   13    6   26 o   15.022   0.2038   10.325 -40.6000   0.38  -0.56   0.03   0.04 
1 1 1   13    6   27 o   13.524   0.3888   13.476   35.800   2.75   0.09  -0.77  -0.31 
1 1 1   13    6   28 o   5.4495   0.4445   0.2907  175.800  -0.75   1.52   1.01   0.58 
1 1 1   13    6   29 o   7.4508   1.1045   3.4628 -92.1000   2.29  -5.92   0.94   0.63 
1 1 1   13    7    0 o   45.552   0.3269   45.056   91.400   0.00   0.49   0.00   0.00 
1 1 1   13    7    1 o   16.755   0.1956   15.922 -96.4000   1.81  -1.79  -0.07   0.68 
1 1 1   13    7    2 o   40.966   0.2177   36.506 -96.1000   3.92  -4.61  -0.09   2.99 
1 1 1   13    7    3 o   26.492   0.3210   23.582 -72.5000  -0.15  -0.65   0.10  -0.07 
1 1 1   13    7    4 o   25.666   0.6021   29.237 -23.2000  13.46   9.17  -2.39  -8.28 
1 1 1   13    7    5 o   18.094   0.8147   18.343  134.900  -2.95   6.53   1.28   1.27 
1 1 1   13    7    6 f   20.115   0.3305   18.392  103.700  -5.64   0.15  -2.83  -0.20 
1 1 1   13    7    7 o   14.108   0.7704   10.384  158.700  -7.99   4.32  -1.32   1.82 
1 1 1   13    7    8 o   14.738   1.1507   23.594   89.700  -0.05  17.95   3.91  -0.11 
1 1 1   13    7    9 o   8.6667   1.3995   21.453 -132.1000 -22.38   5.39  -3.66   1.95 
1 1 1   13    7   10 o   8.3844   1.8753   15.562  -7.2000  30.08  55.81   9.51 -14.09 
1 1 1   13    7   11 o   32.255   0.5661   24.289 -119.6000  -1.59  -2.75   0.56  -0.59 
1 1 1   13    7   12 o   10.478   0.8257   17.618  134.400   2.05  13.94   5.53  -2.06 
1 1 1   13    7   13 o   7.8992   0.5324   15.469  104.000  -2.80   2.30  -0.51   1.58 
1 1 1   13    7   14 o   22.636   0.6942   23.617   78.300  -1.03   6.26   2.06   1.15 
1 1 1   13    7   15 f   22.704   0.8419   20.970 -20.9000   6.90  -3.86  -2.26   2.52 
1 1 1   13    7   16 o   3.4997   0.8045   5.9563  -9.2000   0.36   0.55   0.04  -0.07 
1 1 1   13    7   17 o   22.730   0.2172   20.439 -104.1000   0.50  -0.43   0.11   0.20 
1 1 1   13    7   18 o   10.283   0.4500   8.3343   46.300   0.45   0.09  -0.02  -0.00 
1 1 1   13    7   19 o   10.184   0.3175   13.814  117.600  -0.20   0.19  -0.70  -0.14 
1 1 1   13    7   20 o   2.1214   0.9228   5.4118 -157.5000  -0.11   0.10   0.20   0.05 
1 1 1   13    7   21 o   12.011   0.2916   10.839 -58.7000   0.67  -1.29   0.48   0.32 
1 1 1   13    7   22 o   11.728   0.2991   9.0477   63.300   0.87  -0.38  -0.01   0.84 
1 1 1   13    7   23 o   11.031   0.2656   3.9030 -64.3000   1.21  -1.37  -0.56   1.84 
1 1 1   13    7   24 o   7.8387   0.3953   6.8101  165.800  -2.51  -0.84  -0.50  -0.53 
1 1 1   13    7   25 o   28.525   0.9284   27.644  118.000 -11.06   6.72  -3.39   3.71 
1 1 1   13    7   26 o   16.362   0.2050   19.546 -85.7000  -0.15  -0.24   0.09   0.19 
1 1 1   13    7   27 o   7.5077   0.3360   2.4813 -43.8000   0.45   0.16   0.14  -0.51 
1 1 1   13    7   28 o   10.389   0.3022   13.911   86.900  -0.29   1.19   0.19   0.41 
1 1 1   13    8    0 o   7.6223   0.4220   20.770   88.800  -0.00  -0.07   0.00   0.00 
1 1 1   13    8    1 o   20.501   1.0439   20.649   53.300  11.37   9.06  -1.23  -4.20 
1 1 1   13    8    2 o   16.017   0.8698   14.904 -74.8000   4.09  -7.56   1.17   1.59 
1 1 1   13    8    3 o   34.263   1.1946   34.880 -44.8000  -1.07 -23.41   7.90  -1.42 
1 1 1   13    8    4 o   32.246   0.9098   38.555 -130.8000  -1.22 -15.05   3.83  -0.29 
1 1 1   13    8    5 o   27.709   0.5971   26.902 -173.7000  -0.75   4.78   1.85   0.28 
1 1 1   13    8    6 o   20.869   0.6277   23.078   2.6000   8.32   2.92  -2.23  -2.11 
1 1 1   13    8    7 o   35.104   0.1990   40.399  139.300  -0.16   0.60   0.40  -0.18 
1 1 1   13    8    8 f   22.029   0.5503   35.423 -171.5000  -4.38  -6.05   1.42  -3.00 
1 1 1   13    8    9 f   20.667   0.1644   19.544   15.600   0.37  -0.95   1.73   0.21 
1 1 1   13    8   10 o   13.147   0.4643   9.9610 -54.6000   5.21  -3.81  -0.50   2.02 
1 1 1   13    8   11 o   20.930   0.1695   21.119  152.100   0.23  -0.89   0.44   0.03 
1 1 1   13    8   12 o   18.212   0.6684   24.578 -81.9000  10.61  -5.47  -6.26   6.52 
1 1 1   13    8   13 o   9.0684   1.0984   19.757 -58.8000  -0.11  -7.71   1.39   0.04 
1 1 1   13    8   14 o   15.532   0.6579   13.906  154.900  -8.94  -2.88  -3.27  -3.04 
1 1 1   13    8   15 o   2.7932   1.3173   4.7830  155.800   0.66  -1.92   0.35   0.24 
1 1 1   13    8   16 o   10.653   0.6747   9.1127 -145.0000  -1.66  -1.11  -0.07  -0.23 
1 1 1   13    8   17 o   9.5484   0.3494   8.2068  135.400   1.33  -0.06  -0.20   0.05 
1 1 1   13    8   18 o   22.871   0.7073   26.612  -6.7000   5.95  -0.15  -4.46  -1.32 
1 1 1   13    8   19 o   19.967   0.2400   15.051  126.900   1.79   3.90   0.55  -2.48 
1 1 1   13    8   20 o   9.3959   1.3328   9.9460   40.400  13.34   0.62  -2.50  -0.05 
1 1 1   13    8   21 f   8.8844   0.3760   7.7234 -88.7000  -0.07  -0.60  -0.10  -1.50 
1 1 1   13    8   22 o   8.3469   0.6250   5.5365 -84.8000   0.61  -6.68   2.01   0.63 
1 1 1   13    8   23 o   5.3640   0.8178   10.095   43.300   4.39   3.06  -0.38  -0.85 
1 1 1   13    8   24 f   8.9736   1.5208   3.8804   39.100  -4.43  23.56   3.95   1.77 
1 1 1   13    8   25 f   5.2565   0.4123   2.9824 -132.1000   0.59   0.21  -0.20  -0.07 
1 1 1   13    8   26 o   14.890   0.2154   11.222 -105.7000  -0.59   0.59   0.08   0.14 
1 1 1   13    8   27 o   4.0940   0.6059   4.7728   39.000   0.87  -0.51  -0.11   0.11 
1 1 1   13    8   28 o   0.0000   2.0933  ?   ?   -0.16  -0.43   0.09  -0.04 
1 1 1   13    9    0 o   24.938   0.2560   31.961   90.800   0.00   0.45   0.00   0.00 
1 1 1   13    9    1 f   24.420   0.6130   18.306 -88.4000   0.05  -8.88   1.62   0.14 
1 1 1   13    9    2 o   8.3880   0.4012   9.6550 -109.9000   5.01  -3.55  -1.85   4.26 
1 1 1   13    9    3 o   16.285   1.0820   19.420 -23.9000   7.11 -13.05   2.06   2.91 
1 1 1   13    9    4 o   30.893   0.5269   19.152 -74.9000  -5.55  -4.84  -1.13  -3.55 
1 1 1   13    9    5 o   7.1951   0.4206   7.6283 -164.4000  -3.48  -1.02  -1.33  -0.73 
1 1 1   13    9    6 o   22.692   0.1782   17.226  145.100  -0.30   0.57  -2.57  -5.10 
1 1 1   13    9    7 o   10.925   1.3039   9.7329  156.600  15.21  18.93   1.04  -5.35 
1 1 1   13    9    8 o   19.656   1.2732   18.959   61.900   2.28  23.86   4.63  -1.09 
1 1 1   13    9    9 o   11.084   1.5621   15.123   72.000   7.80  21.08   2.55  -2.07 
1 1 1   13    9   10 o   21.042   0.1656   19.182 -43.3000  -1.31  -5.95   9.84 -10.53 
1 1 1   13    9   11 o   8.3858   1.1572   16.306 -33.8000   5.90  -4.99  -0.16   0.79 
1 1 1   13    9   12 o   6.1882   0.6331   7.0240   50.200   0.04 -14.72   9.99   0.53 
1 1 1   13    9   13 o   27.304   1.0373   21.218  115.300 -11.26   0.16  -2.03  -0.18 
1 1 1   13    9   14 o   23.558   1.3766   27.289  150.700 -29.41  -3.23  -6.92  -2.09 
1 1 1   13    9   15 o   19.159   0.7174   18.604 -53.2000   7.82  -4.33  -2.11   2.44 
1 1 1   13    9   16 o   13.548   0.9629   19.175 -55.4000  11.21  -0.06  -3.32  -0.29 
1 1 1   13    9   17 o   11.200   0.3157   7.6268  160.700   0.09  -0.10   0.07   0.02 
1 1 1   13    9   18 o   8.7290   0.4764   7.7210   40.000   2.07  -0.18  -0.41   0.18 
1 1 1   13    9   19 o   10.936   0.3415   9.0570 -165.9000   0.12   0.01   0.07   0.02 
1 1 1   13    9   20 o   11.463   0.3250   9.6042  148.100  -1.06  -1.21   1.27  -1.29 
1 1 1   13    9   21 o   3.7533   0.3767   3.6206   53.500   1.03   0.26  -0.33  -0.26 
1 1 1   13    9   22 o   6.4932   0.6636   9.1468   43.300   0.96   5.17   0.85  -0.26 
1 1 1   13    9   23 o   9.4253   0.7994   8.1691 -78.9000   7.43  -7.09  -0.44   2.91 
1 1 1   13    9   24 o   0.0000   1.8019  ?   ?    0.01   0.25   0.10   0.03 
1 1 1   13    9   25 o   20.088   0.8455   20.845   98.600  -2.90   5.49   0.50   1.64 
1 1 1   13    9   26 o   10.380   0.7326   11.379 -114.4000  -5.08   4.13  -0.07   1.24 
1 1 1   13    9   27 o   9.0153   0.3359   8.3249 -91.9000  -0.17  -0.33  -0.37  -0.00 
1 1 1   13    9   28 o   6.6718   0.4537   7.1345   52.800   0.92   0.28  -0.70   0.27 
1 1 1   13   10    0 o   11.480   0.3095   16.464   90.400  -0.00  -0.05   0.00   0.00 
1 1 1   13   10    1 o   29.360   0.9870   24.265  118.300 -43.69  -5.76 -17.42  -6.00 
1 1 1   13   10    2 f   32.814   0.6878   41.909 -50.9000   0.47  -3.27   0.77   0.05 
1 1 1   13   10    3 o   39.880   0.2135   32.666 -38.6000   1.54   0.47   0.81  -3.25 
1 1 1   13   10    4 o   32.058   0.1916   37.575 -136.4000  -0.30  -0.82   1.48   1.01 
1 1 1   13   10    5 o   12.239   0.8213   14.751 -153.5000 -10.28   3.74  -2.01   1.85 
1 1 1   13   10    6 o   36.518   1.1932   33.818   29.800  10.53  17.11   3.38  -5.15 
1 1 1   13   10    7 o   23.279   0.2648   23.424  136.300  -0.45   0.11  -0.70  -0.69 
1 1 1   13   10    8 o   29.130   1.4648   32.361 -150.5000 -14.45 -18.41   2.22  -6.32 
1 1 1   13   10    9 o   24.342   0.4650   11.084   48.000  -0.12   3.58   2.93   1.37 
1 1 1   13   10   10 f   14.187   0.5557   16.870 -20.4000  -0.16 -11.60   3.33  -0.32 
1 1 1   13   10   11 o   20.504   0.2063   17.987  171.200  -0.49   0.28   1.02   0.77 
1 1 1   13   10   12 o   26.066   0.1721   19.874 -103.7000  -8.86  -0.12  -7.32   1.76 
1 1 1   13   10   13 o   16.195   0.1639   17.315 -79.7000   0.06  -0.22  -0.53  -0.03 
1 1 1   13   10   14 o   9.5203   0.9940   3.8257   79.400  21.80  -2.95  -5.49   1.74 
1 1 1   13   10   15 o   11.987   0.1902   14.948 -23.5000   0.15   1.16   2.01   0.60 
1 1 1   13   10   16 o   10.121   0.1816   9.3843 -90.2000   0.91  -0.55  -0.12   0.55 
1 1 1   13   10   17 o   6.9169   0.2334   1.5629  171.400  -0.33   0.34   0.38   0.37 
1 1 1   13   10   18 o   26.824   1.6328   31.138   13.400  17.66   5.93  -1.70  -1.72 
1 1 1   13   10   19 o   9.1158   0.3440   9.0046  143.400  -0.15  -0.14   0.00  -0.00 
1 1 1   13   10   20 o   6.0745   0.2854   10.015  100.400   0.30   0.21  -1.38   0.20 
1 1 1   13   10   21 o   18.671   0.6778   21.396 -89.1000  -8.28  -6.64  -1.27  -3.14 
1 1 1   13   10   22 o   6.0031   0.3977   4.6606 -54.9000  -0.79  -1.52   0.38  -0.35 
1 1 1   13   10   23 o   7.3322   0.7805   5.1667   41.000   4.13   3.68  -0.23  -1.06 
1 1 1   13   10   24 o   5.6492   0.7847   5.2849  -5.3000   1.20   5.21   1.49  -0.52 
1 1 1   13   10   25 o   2.2133   1.0401   6.0663 -75.6000  -0.29   0.89   0.11   0.06 
1 1 1   13   10   26 o   11.409   0.2953   11.728 -69.1000  -0.44  -0.06   0.72   0.11 
1 1 1   13   10   27 f   15.064   0.7366   13.248 -169.0000  -1.49  -1.95  -0.02  -0.26 
1 1 1   13   11    0 o   7.4162   0.4325   10.327   90.600   0.00   0.19   0.00   0.00 
1 1 1   13   11    1 o   9.1768   0.2581   6.0379  170.500   1.84  -1.59  -0.29   1.09 
1 1 1   13   11    2 f   13.903   0.2033   11.023  101.000  -0.42  -0.43  -1.35  -1.27 
1 1 1   13   11    3 o   21.954   0.1754   28.243   27.600   0.73  -0.06   3.71   4.27 
1 1 1   13   11    4 o   20.029   0.1814   20.174 -17.4000   0.44   0.48   0.14  -0.26 
1 1 1   13   11    5 o   5.1412   0.3963   4.4524 -152.9000   0.55   0.05  -1.08  -0.89 
1 1 1   13   11    6 f   19.360   0.7829   21.394  164.900 -12.25  -2.31  -3.33  -1.67 
1 1 1   13   11    7 o   11.309   0.3925   8.1868  174.600  -4.18  -7.72   6.25  -7.26 
1 1 1   13   11    8 o   23.520   0.4257   20.241   25.200   0.21   3.23   0.52  -0.15 
1 1 1   13   11    9 o   15.852   0.9021   14.121   51.000   4.11  19.06   7.99  -2.87 
1 1 1   13   11   10 o   5.4945   0.4552   11.290 -102.1000   1.31   4.39   3.25  -1.64 
1 1 1   13   11   11 o   5.9018   0.7870   7.7892  -4.7000   7.28  -1.75  -2.23   0.99 
1 1 1   13   11   12 o   7.2967   0.6769   9.0594 -158.7000   1.25  -7.65   2.61   1.09 
1 1 1   13   11   13 o   34.251   1.4346   39.922  109.000 -29.42   6.41  -7.30   2.28 
1 1 1   13   11   14 o   17.042   0.8069   26.115  149.200 -19.88   1.93  -7.93   0.83 
1 1 1   13   11   15 o   5.3250   0.3211   12.118 -62.3000   1.97  -0.05  -2.27  -0.38 
1 1 1   13   11   16 o   7.3073   0.7606   8.4238 -73.1000 -12.61  -6.81  -4.24  -5.30 
1 1 1   13   11   17 o   18.314   0.2737   16.777  167.900   0.51  -0.44  -0.07   0.08 
1 1 1   13   11   18 o   10.655   0.2103   2.2932 -60.1000   0.08   0.19   0.01  -0.06 
1 1 1   13   11   19 o   9.8916   0.4348   9.8518 -63.7000   3.59   0.18  -0.95   0.05 
1 1 1   13   11   20 f   1.9407   0.7091   5.3926  148.300  -0.01   0.19   0.23  -0.24 
1 1 1   13   11   21 o   18.379   0.2714   11.085  138.100  -0.32  -0.24   0.04  -0.06 
1 1 1   13   11   22 o   5.8672   0.6167   4.3020  105.500   2.62   1.84  -0.14  -0.69 
1 1 1   13   11   23 o   14.388   0.3650   10.773 -146.4000   2.69  -5.47   1.15   2.57 
1 1 1   13   11   24 o   5.1251   0.4888   4.6355 -147.5000   0.13  -0.13  -0.08   0.04 
1 1 1   13   11   25 o   15.277   0.5317   13.630  111.800  -2.52   4.51   0.40   1.64 
1 1 1   13   11   26 o   5.0592   0.5916   4.6307 -165.5000  -0.84   0.21  -0.11   0.15 
1 1 1   13   12    0 o   17.473   0.2622   25.241   89.900   0.00   0.16   0.00   0.00 
1 1 1   13   12    1 o   24.222   2.0254   25.734  138.900 -69.18  17.99 -14.41   7.25 
1 1 1   13   12    2 o   15.459   0.3802   14.552 -54.7000   1.76   1.05  -0.25  -0.33 
1 1 1   13   12    3 o   12.589   0.2620   19.686 -93.7000   2.53  -1.89  -1.71   2.94 
1 1 1   13   12    4 o   8.2430   0.2897   5.2471   9.3000   0.05   0.04  -0.00  -0.01 
1 1 1   13   12    5 o   3.1117   0.6955   1.3328 -33.6000  -0.92  -0.04  -0.19  -0.00 
1 1 1   13   12    6 o   8.8481   0.6713   3.7068   30.000   1.94   5.73   1.27  -0.85 
1 1 1   13   12    7 o   11.056   0.2180   12.347 -168.2000   0.68   0.48  -0.45  -0.48 
1 1 1   13   12    8 o   9.4733   0.8523   14.005 -88.2000 -10.78  -7.16  -1.37  -3.87 
1 1 1   13   12    9 o   10.381   0.8358   8.1944   83.900   1.27  11.44   3.36  -0.53 
1 1 1   13   12   10 o   21.106   0.7387   15.061 -94.6000  -8.70 -16.97   2.02  -3.31 
1 1 1   13   12   11 o   21.154   0.1824   23.229 -169.7000  -1.87   4.34  12.80   2.11 
1 1 1   13   12   12 o   14.283   0.2008   21.589 -116.1000  -1.00   0.17  -0.21   0.16 
1 1 1   13   12   13 o   17.969   0.5990   13.734  -5.4000   3.47   5.82   1.04  -1.41 
1 1 1   13   12   14 f   10.652   0.3937   4.7518 -31.7000   4.96  -0.83  -1.57   0.75 
1 1 1   13   12   15 o   13.233   0.2695   13.255 -18.0000   0.02  -2.93   1.46  -0.56 
1 1 1   13   12   16 o   8.0470   0.5835   10.504 -137.1000   3.96  -1.22  -0.80   0.41 
1 1 1   13   12   17 o   8.6374   0.6847   4.1786  175.700  -1.70  11.57   5.57   1.03 
1 1 1   13   12   18 o   27.044   0.7165   22.976 -16.3000   5.72   5.82   0.48  -1.76 
1 1 1   13   12   19 o   4.4802   0.4673   3.7522  146.800   0.23  -0.05  -0.05   0.13 
1 1 1   13   12   20 f   16.598   0.2065   5.1529  157.800  -0.66   0.78   0.40   0.30 
1 1 1   13   12   21 o   16.206   0.6413   17.559 -101.9000  -6.26  -4.26  -1.97  -2.67 
1 1 1   13   12   22 o   3.9957   0.9951   3.9054   40.200   0.44   0.42  -0.00  -0.03 
1 1 1   13   12   23 o   11.417   0.2855   10.145   73.700   1.05   0.53  -0.97  -0.10 
1 1 1   13   12   24 o   5.7440   0.5523   10.122 -98.6000   1.80   1.74   0.17  -0.73 
1 1 1   13   12   25 o   5.9112   0.5191   7.0868 -95.9000   0.37  -1.50   0.21   0.21 
1 1 1   13   12   26 o   10.326   0.3325   10.298   10.700  -0.04   1.60   0.58  -0.48 
1 1 1   13   13    0 o   2.6833   0.9254   1.2451   81.300   0.00   0.03   0.00   0.00 
1 1 1   13   13    1 o   17.452   0.5130   14.638  153.700  -1.57   3.19   0.67   0.64 
1 1 1   13   13    2 o   12.295   0.3940   14.061  179.700  -2.32  -2.28  -0.14  -0.94 
1 1 1   13   13    3 o   11.943   0.5313   11.415 -14.0000   1.42  -5.73   1.30   0.54 
1 1 1   13   13    4 o   23.287   0.4803   28.150  -7.9000   2.19  -1.35  -1.16   0.99 
1 1 1   13   13    5 o   3.9006   0.5669   7.8329 -48.9000   0.65   0.11  -0.23  -0.14 
1 1 1   13   13    6 o   16.373   0.5471   22.807  136.200  -4.73   4.39  -0.43   2.07 
1 1 1   13   13    7 o   2.4676   0.7023   7.4893  116.400   0.78   0.66  -0.31  -0.78 
1 1 1   13   13    8 o   2.4788   0.7888   7.1240   3.3000   0.17   0.39   0.03  -0.04 
1 1 1   13   13    9 o   11.888   0.6861   13.931   50.300   3.24   8.83   2.53  -1.76 
1 1 1   13   13   10 o   2.8047   1.2862   5.9940 -109.8000  -1.26  -1.67   0.10  -0.45 
1 1 1   13   13   11 f   8.8307   1.1803   8.2557 -175.2000 -14.47  10.57  -0.98   3.62 
1 1 1   13   13   12 o   12.239   0.2260   7.1029 -118.0000  -1.08  -0.20  -0.22  -0.03 
1 1 1   13   13   13 o   18.506   0.9623   25.611  119.800 -30.26   5.51 -13.59   3.73 
1 1 1   13   13   14 o   11.564   0.2762   11.454   89.800   3.13   0.62  -1.46  -0.12 
1 1 1   13   13   15 o   7.4133   0.4012   9.0596  177.000  -1.76   1.52   0.04   0.63 
1 1 1   13   13   16 o   13.975   0.4044   16.440  123.500   2.05   3.11   1.17  -1.39 
1 1 1   13   13   17 o   10.586   0.5429   5.1600 -31.9000   3.98  -1.38  -0.82   0.47 
1 1 1   13   13   18 o   18.585   0.2328   7.9057 -91.4000   0.76  -1.49   0.09   0.39 
1 1 1   13   13   19 o   3.3289   0.6196   5.9626  166.300  -0.08   0.31  -0.59   0.71 
1 1 1   13   13   20 o   10.066   0.4185   6.3526   42.700   2.32   0.16  -0.72   0.12 
1 1 1   13   13   21 o   11.520   0.2700   11.154  160.500   0.29   0.37  -0.79  -0.03 
1 1 1   13   13   22 o   11.349   0.2798   13.117 -165.6000   0.41  -0.49   0.24   0.14 
1 1 1   13   13   23 f   6.7315   0.4295   6.1165 -120.3000   1.21  -1.89   0.10   0.81 
1 1 1   13   13   24 f   4.2563   0.6585   5.2252  139.500  -0.30   0.14   0.02   0.12 
1 1 1   13   13   25 o   6.1572   0.7065   1.7978 -27.5000   1.18  -1.60   0.24   0.31 
1 1 1   13   14    0 f   21.703   0.2640   8.8215   90.200   0.00   0.00   0.00   0.00 
1 1 1   13   14    1 o   11.096   1.1614   10.150  139.300 -19.01   6.20  -4.45   2.91 
1 1 1   13   14    2 o   20.569   0.3066   14.395 -107.0000   0.65  -0.51  -0.17   0.20 
1 1 1   13   14    3 o   10.509   0.7243   5.6128  124.400  -5.18  12.29   3.05   2.74 
1 1 1   13   14    4 o   34.968   0.2131   25.566   15.700   2.80  -0.61  -0.64   0.81 
1 1 1   13   14    5 o   20.276   0.2073   10.293  170.800  -0.68  -0.23  -0.06  -0.12 
1 1 1   13   14    6 o   14.021   0.4091   14.710  138.400  -3.15   2.67   0.02   1.50 
1 1 1   13   14    7 o   8.3367   0.7734   6.9638  165.200   0.41  -1.02   0.03   0.02 
1 1 1   13   14    8 o   5.2390   0.4709   1.8862   7.4000  -1.20  -0.91  -0.05  -0.42 
1 1 1   13   14    9 o   2.6444   0.7390   5.9136   49.300   0.07   1.18   0.51   0.03 
1 1 1   13   14   10 o   2.5055   0.7578   2.8980   44.900   0.33   0.39   0.07  -0.17 
1 1 1   13   14   11 o   10.007   0.7010   10.451 -138.5000  -0.28 -15.13   9.68   0.62 
1 1 1   13   14   12 o   26.371   0.6061   27.221 -129.4000  -2.36  -3.16   1.03  -0.94 
1 1 1   13   14   13 o   14.246   0.7342   14.294   63.500  -1.51   7.80   1.91   1.25 
1 1 1   13   14   14 o   4.5875   0.4902   8.0759   6.1000   0.06   0.56   0.11  -0.07 
1 1 1   13   14   15 o   12.463   0.7305   12.419 -69.3000   2.36 -11.90   2.67   0.78 
1 1 1   13   14   16 o   18.724   0.2928   16.004  163.900  -1.61   1.01  -0.04   0.33 
1 1 1   13   14   17 o   11.343   0.2586   7.2842  -3.2000  -1.15  -1.39   3.75  -1.96 
1 1 1   13   14   18 o   17.711   0.7583   15.377 -46.6000   7.62  -6.34   0.06   2.72 
1 1 1   13   14   19 o   9.0672   0.4292   6.2389   89.500   3.30  -1.54  -0.59   1.22 
1 1 1   13   14   20 o   6.5178   0.4811   5.9339 -169.4000  -1.83   3.33   1.38   1.32 
1 1 1   13   14   21 o   13.621   0.3526   14.943 -47.1000   5.72   3.06  -0.90  -4.05 
1 1 1   13   14   22 o   13.164   0.4868   8.6550  175.200  -2.25   0.81  -0.32   0.14 
1 1 1   13   14   23 o   6.1312   0.4735   5.1851   93.800   2.15   0.93  -1.15  -0.49 
1 1 1   13   14   24 f   11.780   0.3238   12.195 -84.3000   2.26   0.90  -0.06  -1.34 
1 1 1   13   15    0 o   7.9561   0.4400   1.8877 -96.7000   0.00   0.01   0.00   0.00 
1 1 1   13   15    1 o   15.308   0.5962   13.634  140.400  -9.73  -3.70  -2.93  -3.45 
1 1 1   13   15    2 o   17.828   0.2012   12.171 -155.8000  -0.16   0.22   0.15  -0.40 
1 1 1   13   15    3 o   10.885   0.2949   6.2071 -144.7000  -0.99  -2.20   0.41  -0.71 
1 1 1   13   15    4 o   27.939   1.0532   26.289 -24.0000  13.66  -6.36  -2.86   2.47 
1 1 1   13   15    5 o   8.6056   1.0623   10.551 -35.6000   3.96  -6.68   0.46   0.97 
1 1 1   13   15    6 o   6.0729   0.6332   11.757  146.100  -0.12   2.54   0.38   0.07 
1 1 1   13   15    7 o   2.9378   1.3590   2.4305 -23.4000  -2.91  -0.64  -0.64  -0.36 
1 1 1   13   15    8 o   9.6126   0.4249   6.4039  122.300  -2.99  -2.62   0.06  -1.56 
1 1 1   13   15    9 o   5.2590   0.4470   10.444 -18.9000   0.11  -0.28   0.04   0.02 
1 1 1   13   15   10 o   9.2238   0.3200   10.301 -64.8000   1.47  -1.45  -0.38   0.93 
1 1 1   13   15   11 o   7.8723   0.3469   8.5104  -4.3000   0.34  -0.73  -0.27   1.01 
1 1 1   13   15   12 o   11.924   0.4369   9.8823   31.700   1.40   1.36   0.25  -0.65 
1 1 1   13   15   13 o   3.0402   0.6937   3.0002 -43.8000   0.10   0.14  -0.09   0.56 
1 1 1   13   15   14 o   9.1111   0.3038   10.322   63.000   0.49   1.43   0.43  -0.83 
1 1 1   13   15   15 o   2.8701   0.7124   2.4349 -137.2000   0.44   0.56  -0.02  -0.22 
1 1 1   13   15   16 o   14.319   0.3858   15.255   98.900  -3.56   0.29  -1.17  -0.14 
1 1 1   13   15   17 f   15.201   0.6136   16.649   12.100  13.85   1.24  -4.47  -1.65 
1 1 1   13   15   18 o   13.135   0.6470   12.331 -80.8000   9.22  -2.58  -2.59   1.01 
1 1 1   13   15   19 o   10.929   0.6890   8.0086 -169.7000  -4.08   4.54  -0.03   0.98 
1 1 1   13   15   20 o   4.5224   0.5619   2.5193   7.4000  -0.08   0.30   0.04   0.09 
1 1 1   13   15   21 o   11.892   0.3957   9.3780 -63.1000   0.29   0.58   0.01  -0.09 
1 1 1   13   15   22 o   6.1356   1.8861   4.7919 -176.3000  -5.35   0.95  -0.60   0.16 
1 1 1   13   15   23 o   0.0000   2.2912  ?   ?   -0.04  -0.10  -0.19   0.06 
1 1 1   13   16    0 o   0.0000   2.7568   8.2001 -89.7000   0.00   0.01   0.00   0.00 
1 1 1   13   16    1 f   5.2933   0.8276   7.8246  161.500  -2.04   0.61  -0.26   0.13 
1 1 1   13   16    2 o   10.719   1.0820   12.262   16.000  14.07   9.04  -1.25  -3.24 
1 1 1   13   16    3 o   6.4324   0.4205   3.4256 -27.9000  -1.04  -0.43  -0.13  -0.09 
1 1 1   13   16    4 o   13.114   0.4230   19.011   22.700   7.06   0.22  -2.11   0.15 
1 1 1   13   16    5 o   10.479   0.2744   8.7637 -135.1000  -0.07   0.15   0.06  -0.00 
1 1 1   13   16    6 o   23.993   0.7458   22.031   99.200  -7.94   7.77   0.50   3.22 
1 1 1   13   16    7 o   15.556   0.2324   12.925 -44.9000   0.20  -0.71   0.21   0.02 
1 1 1   13   16    8 o   10.095   0.3804   9.4151 -168.8000  -0.78  -0.58  -0.07  -0.10 
1 1 1   13   16    9 f   12.463   0.7004   9.9342   27.700   6.09  -2.83  -0.80   1.43 
1 1 1   13   16   10 o   10.230   0.8001   8.0760   97.100  -0.62   8.05   2.18   0.72 
1 1 1   13   16   11 o   6.0975   0.4960   8.9761 -78.6000   0.06  -1.09   0.22   0.08 
1 1 1   13   16   12 o   16.409   0.7761   11.689 -103.0000  -2.03  -6.54   1.92  -0.77 
1 1 1   13   16   13 o   12.173   0.3224   14.071  102.100  -0.14   1.46   0.65   0.60 
1 1 1   13   16   14 o   6.5606   0.4144   3.7330  106.700  -0.15  -0.10   0.04   0.28 
1 1 1   13   16   15 o   24.719   0.2126   21.097 -92.7000   0.45  -0.33   0.37  -0.17 
1 1 1   13   16   16 o   5.2756   0.5600   2.7965 -59.6000  -0.27  -1.55   0.30  -0.20 
1 1 1   13   16   17 o   19.611   0.2126   17.264   2.1000  -0.57   0.24   0.47   0.29 
1 1 1   13   16   18 o   6.9262   0.7359   2.1950 -64.7000   3.83  -1.50  -0.58   0.77 
1 1 1   13   16   19 o   8.6914   0.3603   6.8212  114.100   0.94   0.43  -0.32  -0.10 
1 1 1   13   16   20 o   11.285   0.8833   7.6142 -98.4000   3.65 -11.12   1.88   1.90 
1 1 1   13   16   21 o   16.937   0.5651   11.487  -9.2000   8.01   4.25  -0.78  -2.45 
1 1 1   13   16   22 o   15.523   0.3487   13.820  159.900  -3.10   1.66  -0.84   0.39 
1 1 1   13   17    0 o   8.1363   0.4753   0.9954 -87.0000   0.00   0.05   0.00   0.00 
1 1 1   13   17    1 o   12.569   0.9550   14.447   79.700  25.14   3.91 -10.40  -1.87 
1 1 1   13   17    2 o   8.0753   0.3612   5.4382   96.100  -0.77  -0.34  -0.06  -0.30 
1 1 1   13   17    3 o   6.8227   0.4089   8.7020  156.800  -0.68  -1.82   0.38  -0.68 
1 1 1   13   17    4 o   8.6410   0.3304   9.3909 -61.6000  -0.10  -0.27  -0.35  -0.11 
1 1 1   13   17    5 f   12.318   0.3538   13.747 -164.6000  -5.90   1.09  -3.10   2.66 
1 1 1   13   17    6 o   5.6066   0.4753   1.7134 -140.8000   0.15   0.13   0.14  -0.04 
1 1 1   13   17    7 o   15.018   0.2288   5.4871 -83.2000  -0.22   0.75  -0.02   0.43 
1 1 1   13   17    8 o   11.246   0.5581   14.731  102.800   7.00   1.01  -2.69  -0.26 
1 1 1   13   17    9 o   12.009   0.4718   16.666 -109.3000   2.07   0.59  -0.29  -0.10 
1 1 1   13   17   10 o   5.9841   1.0137   9.6331 -77.3000   1.60  -3.63   0.38   0.54 
1 1 1   13   17   11 o   17.255   0.6027   16.101 -12.5000   6.69   0.31  -2.26  -0.87 
1 1 1   13   17   12 o   6.5655   0.4451   7.1094   15.200   1.73   0.96  -0.17  -1.33 
1 1 1   13   17   13 o   10.440   0.3001   10.655 -65.8000  -0.75  -0.91  -1.40  -1.22 
1 1 1   13   17   14 o   7.7324   0.5335   10.563   56.900   2.15   1.01  -0.36  -0.27 
1 1 1   13   17   15 o   7.0544   0.4431   7.2169  100.600   0.55   0.83  -1.14  -1.11 
1 1 1   13   17   16 o   6.1424   0.4759   6.7990   58.100  -0.52   0.10  -0.41  -0.52 
1 1 1   13   17   17 o   8.0156   0.3887   10.127   43.500   3.10  -0.20  -1.47  -0.31 
1 1 1   13   17   18 o   5.0808   2.2306   10.854 -55.9000   6.00  -0.74  -0.85   0.16 
1 1 1   13   17   19 o   8.3782   0.6532   7.5275 -139.1000  -0.13  -0.75   0.03  -0.02 
1 1 1   13   17   20 f   7.9091   0.4184   8.3304 -157.2000   0.06  -0.15  -0.06  -0.05 
1 1 1   13   17   21 o   9.3209   0.4051   8.1163 -18.3000  -0.22  -0.23   0.08   0.00 
1 1 1   13   18    0 o   15.824   0.3190   20.096 -90.3000   0.00   0.62   0.00   0.00 
1 1 1   13   18    1 o   1.9315   0.9892   3.7840 -168.3000  -0.27  -0.54   0.10  -0.08 
1 1 1   13   18    2 f   6.5741   1.0616   5.8213 -72.8000   6.05   5.92   0.23  -2.18 
1 1 1   13   18    3 o   12.139   0.7592   6.4283 -53.1000   0.97 -12.43   4.77   0.01 
1 1 1   13   18    4 o   6.3608   0.4431   10.807  115.800  -2.38  -0.94  -0.69  -1.22 
1 1 1   13   18    5 o   13.119   0.2746   15.301 -159.8000  -0.04  -0.08   0.01   0.00 
1 1 1   13   18    6 o   3.1553   1.4443   5.9170   18.300  -0.71   0.88   0.05   0.14 
1 1 1   13   18    7 o   21.555   0.2169   19.116 -23.8000   1.93  -2.00  -0.47   0.87 
1 1 1   13   18    8 o   6.4960   1.2556   10.116  157.100  -4.33  -0.71  -0.43  -0.10 
1 1 1   13   18    9 o   3.3854   0.7142   3.7413   6.6000  -0.02  -0.10   0.01   0.00 
1 1 1   13   18   10 o   6.2019   0.4941   4.0823   22.300   0.66  -0.17   1.53   1.24 
1 1 1   13   18   11 o   9.1781   0.3563   11.588 -51.2000   0.18  -0.45   0.26  -0.82 
1 1 1   13   18   12 o   12.165   0.7611   8.9746 -63.7000  -1.60  -8.03   2.83  -0.43 
1 1 1   13   18   13 o   7.1285   0.4364   7.8096  149.600  -0.83   0.50   0.01   0.29 
1 1 1   13   18   14 o   5.4115   0.5251   8.1652  131.300  -0.70   0.16  -0.06   0.06 
1 1 1   13   18   15 o   8.5762   0.3955   8.5081 -137.0000  -0.47  -0.33   1.06   0.23 
1 1 1   13   18   16 o   9.5798   0.9265   8.3090 -49.9000  -0.99  -7.78   1.91  -0.97 
1 1 1   13   18   17 o   18.294   0.2282   10.192   4.3000   0.45   0.79   0.25  -0.01 
1 1 1   13   18   18 o   0.0000   2.1963  ?   ?   -0.25  -0.08  -0.03  -0.06 
1 1 1   13   18   19 o   1.8346   1.0491   0.9049   88.200  -0.03   0.19   0.01   0.00 
1 1 1   13   18   20 o   0.0000   2.2961  ?   ?    0.36  -0.28  -0.09   0.11 
1 1 1   13   19    0 o   9.7468   0.4177   7.2359 -91.7000   0.00   0.09   0.00   0.00 
1 1 1   13   19    1 o   3.2650   0.9540   7.9369   60.000   2.94   0.19  -1.33   0.15 
1 1 1   13   19    2 f   3.9104   1.2849   2.6366   18.800  -0.32   0.55   0.02   0.03 
1 1 1   13   19    3 o   7.5338   0.4022   8.1997   58.700   0.12   0.10   0.04   0.12 
1 1 1   13   19    4 o   12.991   0.3955   12.668 -106.8000   0.94  -0.56   0.01   0.28 
1 1 1   13   19    5 o   8.9075   0.4451   8.1256 -169.2000  -4.53  -1.28  -3.08  -0.61 
1 1 1   13   19    6 o   2.8183   0.8238   2.3644   56.600   0.30  -0.09  -0.18  -0.07 
1 1 1   13   19    7 o   5.1270   0.7293   5.6698   28.100   0.06   1.81   0.27   0.04 
1 1 1   13   19    8 o   12.131   0.6783   14.480   40.200   6.19  -1.67  -1.26   1.15 
1 1 1   13   19    9 f   4.8914   1.7607   3.7142  100.500   4.87   2.78  -0.73  -0.94 
1 1 1   13   19   10 o   5.6591   0.7075   2.5868 -136.4000  -0.80  -1.81   0.37  -0.22 
1 1 1   13   19   11 o   17.026   0.3605   13.095 -19.9000   2.00   0.68  -0.15  -1.17 
1 1 1   13   19   12 o   10.246   0.3521   16.265 -56.2000   2.41   1.00  -0.32  -2.48 
1 1 1   13   19   13 o   3.1812   0.8049   7.0997 -45.0000  -0.01  -0.27  -0.42   0.22 
1 1 1   13   19   14 o   16.324   0.4104   13.201   77.800   4.81   0.69  -1.87   0.38 
1 1 1   13   19   15 o   9.4484   1.1088   8.3864   76.100   8.30   2.28  -1.67  -0.59 
1 1 1   13   19   16 o   0.0000   2.2904  ?   ?   -0.13  -0.06   0.03  -0.05 
1 1 1   13   19   17 o   10.189   0.3506   13.316   79.100  -0.25   0.06  -0.02  -0.08 
1 1 1   13   19   18 o   6.2037   1.0101   6.4269  -5.3000   2.14   0.98  -0.10  -0.22 
1 1 1   13   20    0 o   7.0711   0.5978   6.1209 -89.3000   0.00   0.18   0.00   0.00 
1 1 1   13   20    1 o   3.4008   0.7854   7.5157 -34.2000  -0.22  -1.41   0.58   0.04 
1 1 1   13   20    2 o   2.8363   0.8257   4.5702 -114.6000   0.49   0.05  -0.14  -0.53 
1 1 1   13   20    3 o   1.6870   1.0194   7.1154   28.600   0.11  -1.03   0.43  -0.06 
1 1 1   13   20    4 o   3.2053   0.7957   1.1183  122.700  -0.23   0.18  -0.25  -0.32 
1 1 1   13   20    5 o   13.910   0.2706   10.768  170.900  -0.35   0.03   0.01  -0.17 
1 1 1   13   20    6 o   1.1185   1.0516   5.1331 -50.8000  -0.01  -0.01   0.00  -0.00 
1 1 1   13   20    7 o   2.8107   0.8278   5.6974  -4.4000  -0.27  -0.04   0.43   0.25 
1 1 1   13   20    8 o   12.554   0.4580   6.9643 -125.2000   2.23  -0.97  -0.27   0.16 
1 1 1   13   20    9 o   8.6688   0.4100   9.8030 -27.5000  -0.09   0.22   0.06  -0.03 
1 1 1   13   20   10 f   12.666   0.3918   10.232   7.3000   5.85  -5.85   0.64   2.58 
1 1 1   13   20   11 o   2.7194   1.2799   2.6316   23.600  -0.88   2.42   0.36   0.40 
1 1 1   13   20   12 o   11.450   0.5190   14.027 -110.6000  -0.66  -4.25   1.48   0.16 
1 1 1   13   20   13 f   0.0000   2.2693  ?   ?    0.00  -0.10  -0.06   0.05 
1 1 1   13   20   14 o   1.3041   1.1233   4.6224   39.600  -0.05  -0.12  -0.03  -0.03 
1 1 1   13   20   15 o   9.1461   0.4579   7.3684  169.100  -1.03  -2.48   0.81  -0.23 
1 1 1   13   20   16 o   0.0000   2.4331  ?   ?    0.23  -0.64   0.22   0.06 
1 1 1   13   20   17 o   4.6847   0.6788   2.1926   6.3000   0.24   0.61   0.27   0.19 
1 1 1   13   21    0 o   0.0000   3.1464   1.9257 -90.8000  -0.00  -0.03   0.00   0.00 
1 1 1   13   21    1 o   10.696   0.3432   5.3102 -161.6000  -2.24   0.77  -1.46  -0.01 
1 1 1   13   21    2 o   9.8826   0.3497   5.0543  125.900  -0.33  -0.02   0.14   0.24 
1 1 1   13   21    3 o   9.4243   0.3587   9.2846  -0.4000   0.55   1.29  -0.06  -1.03 
1 1 1   13   21    4 o   10.840   1.1263   9.6266 -27.9000  11.19   1.22  -2.04  -0.14 
1 1 1   13   21    5 o   0.7407   1.0771   0.6329  173.900  -0.01  -0.14  -0.15   0.04 
1 1 1   13   21    6 o   9.6139   0.4890   11.114 -59.1000   4.61  -0.40  -1.67  -0.27 
1 1 1   13   21    7 o   3.2843   0.8616   5.4205 -122.5000   0.03  -0.12   0.01  -0.00 
1 1 1   13   21    8 o   9.0528   0.4296   8.5789   21.200  -0.15   0.31  -0.01   0.05 
1 1 1   13   21    9 o   10.930   0.3764   13.131   98.600   3.68   4.23  -1.25  -3.36 
1 1 1   13   21   10 o   11.075   0.3433   10.272  124.400   1.49   2.05  -0.13  -0.70 
1 1 1   13   21   11 o   4.4283   0.7197   7.3504   9.8000   0.41  -0.12   0.45  -0.04 
1 1 1   13   21   12 o   14.813   0.3487   11.349 -40.0000  -4.63  -5.84  -0.66  -2.91 
1 1 1   13   21   13 o   2.0077   1.1944   3.9366 -47.2000   0.56  -0.75   0.00   0.13 
1 1 1   13   21   14 o   9.5382   0.5094   9.6844   43.100   0.85   1.16  -0.07  -0.19 
1 1 1   13   21   15 o   0.0000   2.5881  ?   ?   -0.07   0.14  -0.02   0.09 
1 1 1   13   22    0 o   6.1319   0.8517   1.1544   95.200   0.00   0.08   0.00   0.00 
1 1 1   13   22    1 o   4.3209   1.0896   3.3445 -74.3000  -0.11  -1.47   0.16   0.02 
1 1 1   13   22    2 o   0.0000   2.3055  ?   ?   -0.13   0.05   0.02   0.07 
1 1 1   13   22    3 o   1.0748   1.1580   6.3813   89.700   0.15   0.15   0.13   0.00 
1 1 1   13   22    4 o   13.103   0.3205   9.7289   6.9000   1.32  -0.24  -0.15   0.35 
1 1 1   13   22    5 o   7.7951   0.4640   8.5411   92.100   0.00   0.37  -0.04   0.17 
1 1 1   13   22    6 o   10.513   0.3903   10.211  159.600  -0.32  -0.54  -0.02  -0.09 
1 1 1   13   22    7 f   17.760   0.2690   15.372  179.900  -0.90   1.54   0.95  -0.16 
1 1 1   13   22    8 o   10.618   0.5666   8.5220 -107.1000   0.95  -0.79  -0.09   0.10 
1 1 1   13   22    9 o   6.9364   0.5695   7.1060   18.200   0.18   0.06  -0.02   0.02 
1 1 1   13   22   10 o   7.6071   0.5201   5.0372   64.700   0.97  -0.10  -0.08   0.07 
1 1 1   13   22   11 f   2.4187   1.0717   6.6145  139.800   0.55  -0.08  -0.02   0.21 
1 1 1   13   22   12 o   0.0000   2.5446  ?   ?   -0.04   0.02   0.02  -0.01 
1 1 1   13   22   13 o   1.2117   1.2544   7.6008 -86.8000   0.64  -0.29  -0.06   0.04 
1 1 1   13   23    0 o   0.0000   3.5496   6.8804   91.800  -0.00  -0.18   0.00   0.00 
1 1 1   13   23    1 o   5.5896   0.6649   5.6817  149.300   0.12   0.15   0.01  -0.00 
1 1 1   13   23    2 o   7.6267   0.5128   7.4256   78.800   0.17   0.10   0.04   0.01 
1 1 1   13   23    3 o   6.6352   0.6310   8.7586 -90.3000  -0.31  -0.57   0.08  -0.02 
1 1 1   13   23    4 o   10.910   0.3800   12.022   86.900  -4.25   1.16  -2.23  -0.27 
1 1 1   13   23    5 o   6.0114   0.6331   4.1909  178.600   0.08  -0.03  -0.00  -0.00 
1 1 1   13   23    6 o   7.3030   0.5186   12.351 -53.6000   3.51  -0.26  -1.38  -0.64 
1 1 1   13   23    7 o   14.293   0.5028   12.611 -98.7000  -1.04  -2.53   0.02  -0.59 
1 1 1   13   23    8 o   6.8779   0.5843   8.7682 -151.2000  -0.04  -0.23  -0.02   0.04 
1 1 1   13   23    9 f   5.5158   0.9613   5.3422  121.600  -0.50   2.05   0.30   0.00 
1 1 1   13   23   10 o   16.117   0.3152   12.763  108.100   0.94   2.60  -0.87  -1.23 
1 1 1   13   24    0 o   0.0000   3.5917   1.9143   88.500  -0.00  -0.02   0.00   0.00 
1 1 1   13   24    1 o   3.5783   0.9173   8.6114 -37.9000   0.02  -0.22  -0.05  -0.03 
1 1 1   13   24    2 o   0.0000   2.7294  ?   ?   -0.25   0.13   0.27  -0.01 
1 1 1   13   24    3 o   0.0000   2.5999  ?   ?    0.10   0.03   0.06  -0.03 
1 1 1   13   24    4 o   0.0000   2.5831  ?   ?    0.09  -0.21   0.15  -0.06 
1 1 1   13   24    5 o   0.0000   2.6406  ?   ?    0.08   0.02  -0.02   0.03 
1 1 1   14    0    0 o   38.488   0.4075   62.189  -0.7000   0.14   0.00   0.00   0.00 
1 1 1   14    0    1 o   13.126   0.2614   3.6911 -85.1000   0.00   0.04   0.00   0.00 
1 1 1   14    0    2 o   30.514   0.2712   23.967  179.900  -0.10   0.00   0.00   0.00 
1 1 1   14    0    3 o   34.798   0.2850   27.746 -90.2000  -0.00  -0.07   0.00   0.00 
1 1 1   14    0    4 o   16.171   0.2527   7.8659  -4.6000   0.02   0.00   0.00   0.00 
1 1 1   14    0    5 o   11.593   0.2573   13.340 -90.0000  -0.00  -0.10   0.00   0.00 
1 1 1   14    0    6 f   30.028   0.2494   26.459   0.6000   0.06   0.00   0.00   0.00 
1 1 1   14    0    7 o   37.306   0.2992   41.090   89.800   0.00   0.15   0.00   0.00 
1 1 1   14    0    8 o   4.7539   0.4584   1.0064  -8.2000   0.04   0.00   0.00   0.00 
1 1 1   14    0    9 o   24.087   0.2851   17.485 -90.3000   0.00   0.43   0.00   0.00 
1 1 1   14    0   10 o   2.6646   0.6596   3.0943  177.700  -0.03   0.00   0.00   0.00 
1 1 1   14    0   11 o   3.9497   0.4517   13.298 -90.0000  -0.00  -0.09   0.00   0.00 
1 1 1   14    0   12 o   4.2308   0.3783   11.876 -179.7000   0.06   0.00   0.00   0.00 
1 1 1   14    0   13 o   18.833   0.1996   12.708   90.700   0.00   0.24   0.00   0.00 
1 1 1   14    0   14 o   14.036   0.4519   0.1162 -144.7000   0.07   0.00   0.00   0.00 
1 1 1   14    0   15 o   8.8769   0.6541   13.216   89.900   0.00   0.18   0.00   0.00 
1 1 1   14    0   16 o   6.3561   0.9012   3.9628   1.7000  -0.10   0.00   0.00   0.00 
1 1 1   14    0   17 o   29.338   0.4150   28.482 -90.3000  -0.00  -0.40   0.00   0.00 
1 1 1   14    0   18 o   0.0000   3.6469   5.2565  -0.0000   0.08   0.00   0.00   0.00 
1 1 1   14    0   19 o   20.763   0.4293   11.657   89.800  -0.00  -0.52   0.00   0.00 
1 1 1   14    0   20 o   3.9875   1.2273   1.4112  172.100  -0.03   0.00   0.00   0.00 
1 1 1   14    0   21 o   15.887   0.2265   19.449   90.200   0.00   0.77   0.00   0.00 
1 1 1   14    0   22 o   16.751   0.2238   24.101  179.800  -0.26   0.00   0.00   0.00 
1 1 1   14    0   23 o   10.922   0.2680   3.3844   91.700  -0.00  -0.29   0.00   0.00 
1 1 1   14    0   24 o   6.6558   0.3830   5.1649  178.700  -0.01   0.00   0.00   0.00 
1 1 1   14    0   25 o   8.5440   0.3699   10.222   89.400   0.00   0.02   0.00   0.00 
1 1 1   14    0   26 o   6.1319   0.5378   2.8103   1.0000   0.06   0.00   0.00   0.00 
1 1 1   14    0   27 o   2.3452   1.0425   1.0288   89.900  -0.00  -0.02   0.00   0.00 
1 1 1   14    1    0 o   7.8230   0.3660   11.931  178.700  -0.07   0.00   0.00   0.00 
1 1 1   14    1    1 o   10.832   0.2026   9.2839   50.900  -0.04   1.31   5.12  -1.86 
1 1 1   14    1    2 o   69.646   0.5496   66.625   75.100   8.94   0.89  -1.31   0.03 
1 1 1   14    1    3 f   16.582   1.0255   18.038 -178.2000  -0.48  16.84   5.89   0.66 
1 1 1   14    1    4 o   58.340   0.2784   48.757 -88.3000  -3.41  -5.51   0.23  -1.11 
1 1 1   14    1    5 o   25.147   0.2109   13.263 -72.0000   0.60   0.50  -0.61  -0.54 
1 1 1   14    1    6 o   4.7869   0.6144   6.1249 -100.3000   2.56  -0.72  -0.61   0.33 
1 1 1   14    1    7 o   27.812   1.0742   16.990   67.100   4.72  32.10   6.09  -2.17 
1 1 1   14    1    8 f   5.5613   0.5046   7.7435  134.900  -3.22  -3.31   0.26  -2.66 
1 1 1   14    1    9 o   15.574   0.8727   11.142  107.500   0.30  15.77   5.50   0.14 
1 1 1   14    1   10 o   35.054   0.4336   28.379  117.600   0.56   2.75   1.43   0.05 
1 1 1   14    1   11 o   10.954   0.2280   16.781   1.1000   0.43  -0.95   0.43   0.32 
1 1 1   14    1   12 o   22.073   0.4656   27.867 -64.5000   8.26   1.64  -3.21  -2.00 
1 1 1   14    1   13 o   27.866   0.4654   30.320 -177.9000  -1.88   6.31   5.46   1.39 
1 1 1   14    1   14 o   3.4153   1.0570   6.7807  103.800   1.58   3.13   0.39  -0.57 
1 1 1   14    1   15 o   6.4155   0.2673   8.7419   59.700  -0.25  -0.38   0.02  -0.33 
1 1 1   14    1   16 o   6.2817   0.3791   8.2113  126.400  -0.45  -0.71   0.04  -0.07 
1 1 1   14    1   17 o   9.9059   1.0220   14.348   4.1000   4.09 -28.32   8.62   2.19 
1 1 1   14    1   18 o   12.663   0.3401   12.025 -73.1000  -1.08  -2.93   0.61  -0.87 
1 1 1   14    1   19 o   8.3234   0.8774   7.7074 -139.6000  -3.85  11.80   3.18   2.00 
1 1 1   14    1   20 o   14.677   0.2219   14.501 -78.2000  -0.84  -1.26  -2.40  -2.99 
1 1 1   14    1   21 f   6.7616   0.4389   7.8502   44.800   0.16  -0.14  -0.00   0.00 
1 1 1   14    1   22 o   7.4291   0.6149   1.4366  -7.4000  -5.61  -3.87  -0.63  -2.68 
1 1 1   14    1   23 o   6.0588   0.5073   6.4429 -52.5000   1.82   4.29   1.09  -0.92 
1 1 1   14    1   24 o   23.653   0.4898   21.554 -124.2000  -2.50  -6.38   0.66  -0.88 
1 1 1   14    1   25 o   7.9498   0.2690   8.5438   69.500   0.05  -0.20  -0.09  -0.36 
1 1 1   14    1   26 o   9.2532   0.2654   11.695 -69.7000  -0.72  -1.09  -2.88  -2.69 
1 1 1   14    1   27 o   10.156   0.2898   9.2181 -106.2000   0.13  -1.28   0.34   0.35 
1 1 1   14    2    0 o   24.185   0.2375   35.771  -0.4000   0.09   0.00   0.00   0.00 
1 1 1   14    2    1 o   17.219   0.2050   3.7435   76.800  -0.12   0.06  -0.09   0.01 
1 1 1   14    2    2 o   34.869   1.2320   29.069  173.800 -18.78  -0.59  -9.55  -1.94 
1 1 1   14    2    3 o   20.953   0.8389   10.413 -93.2000   3.46 -14.79   2.38   1.03 
1 1 1   14    2    4 o   18.741   0.2402   16.369 -104.3000  -4.36   0.02  -1.06   0.12 
1 1 1   14    2    5 f   15.689   0.7272   17.279 -85.2000   5.64  -9.55   2.72   6.08 
1 1 1   14    2    6 f   21.214   1.2316   19.091  -5.1000  18.54   2.42  -5.41  -1.80 
1 1 1   14    2    7 o   49.846   1.0992   45.202   59.400  -1.97   4.86   1.12   2.98 
1 1 1   14    2    8 o   7.7955   1.0398   10.771   99.800 -15.31   2.87  -4.23   1.49 
1 1 1   14    2    9 o   19.266   0.1638   18.860 -144.1000   4.52  -2.77  -1.36   6.61 
1 1 1   14    2   10 f   7.2146   0.2256   7.3117 -148.1000  -1.41  -2.87   2.82  -2.79 
1 1 1   14    2   11 o   8.9682   0.3232   13.937 -66.4000  -7.55   2.78  -7.85   9.02 
1 1 1   14    2   12 o   18.840   0.8112   16.253 -76.6000  -4.93 -11.74   2.49  -3.08 
1 1 1   14    2   13 f   28.333   1.0786   18.839   83.400  -5.99  19.28   4.25   3.68 
1 1 1   14    2   14 o   22.898   0.2015   23.920 -107.4000   0.14  -0.74  -1.68   1.46 
1 1 1   14    2   15 o   4.9166   0.4836   8.1476  102.400  -3.11  -0.12  -1.20  -0.20 
1 1 1   14    2   16 o   31.088   1.3912   27.601   83.000  38.33  23.00  -7.47 -11.20 
1 1 1   14    2   17 o   17.429   0.1890   25.365 -87.9000   1.33   0.35  -0.72  -1.46 
1 1 1   14    2   18 o   8.9974   0.9505   9.9876 -105.1000   1.80  -7.80   1.43   0.55 
1 1 1   14    2   19 o   9.5483   0.2921   7.8642   71.400  -1.23  -0.41  -2.48   0.17 
1 1 1   14    2   20 o   7.7113   0.5545   11.650   9.9000   6.10  -0.63  -2.72   0.19 
1 1 1   14    2   21 o   12.913   0.6430   6.9784  108.900 -15.73   4.63  -8.00   3.79 
1 1 1   14    2   22 o   12.157   0.5091   10.551 -143.0000  -4.57  -3.47  -0.14  -2.43 
1 1 1   14    2   23 o   6.9985   1.0419   6.2709  105.100   6.70   2.66  -1.01  -1.17 
1 1 1   14    2   24 o   9.0738   0.2700   4.6150  177.300  -1.41   0.51  -0.65   0.28 
1 1 1   14    2   25 o   6.3810   0.5028   3.5824   23.700  -1.19   2.77   0.47   0.38 
1 1 1   14    2   26 o   17.338   0.1971   16.011 -24.0000   0.77  -1.57   3.05  -1.90 
1 1 1   14    2   27 o   2.2615   1.0825   1.9245 -60.1000   0.55  -0.41  -0.01   0.06 
1 1 1   14    3    0 o   2.8983   0.7682   0.6732 -145.9000  -0.06   0.00   0.00   0.00 
1 1 1   14    3    1 o   20.797   1.0074   22.773   52.600   3.27  21.07   4.07  -1.50 
1 1 1   14    3    2 o   49.353   1.0057   36.334   84.300  -4.16   4.01  -1.43   3.04 
1 1 1   14    3    3 o   5.7675   0.3419   5.5809 -66.4000  -0.25  -1.31   1.62  -1.01 
1 1 1   14    3    4 o   30.297   0.3388   27.993 -68.6000  -2.08  -3.93   1.22  -6.65 
1 1 1   14    3    5 o   17.069   0.5829   19.990 -96.0000  -3.30  -0.59  -1.55  -0.86 
1 1 1   14    3    6 o   12.916   0.1750   15.190   81.900   0.59   1.39   0.26  -0.35 
1 1 1   14    3    7 o   23.607   0.8440   12.708   5.1000   4.73  -7.18   0.98   3.27 
1 1 1   14    3    8 o   22.203   1.3600   24.309 -136.9000   5.54 -30.23   9.45   4.31 
1 1 1   14    3    9 o   31.103   0.9469   24.472  111.900  -1.21  12.88   3.77   1.28 
1 1 1   14    3   10 o   37.207   1.4214   36.857  119.500 -16.79  20.93   0.73   7.95 
1 1 1   14    3   11 o   13.887   0.2918   20.933 -19.7000   2.60  -1.73  -0.32   1.61 
1 1 1   14    3   12 o   22.146   0.2070   26.355 -59.1000  -2.25  -2.43  -0.99  -3.01 
1 1 1   14    3   13 o   19.299   0.9090   12.021  137.500  -2.39  14.82   4.02   0.95 
1 1 1   14    3   14 o   15.330   0.7465   16.020  147.100  -0.67  13.03   4.29   0.03 
1 1 1   14    3   15 o   8.0200   0.9164   9.2262   18.100   2.75  -1.69  -0.15   0.25 
1 1 1   14    3   16 o   17.217   0.3663   15.208 -148.5000  -4.49   0.10  -3.55  -0.86 
1 1 1   14    3   17 o   10.264   0.2578   10.033   47.700  -0.86   2.84   2.30   5.13 
1 1 1   14    3   18 o   4.6376   0.5539   3.2481   46.700   0.21  -1.84   0.54   0.02 
1 1 1   14    3   19 o   8.0428   1.6201   8.6979 -72.7000   8.20 -19.15   3.16   3.65 
1 1 1   14    3   20 o   13.409   0.3718   12.565 -88.5000   0.15  -2.20   0.74  -0.12 
1 1 1   14    3   21 o   7.3613   0.3793   6.7297   58.600   0.06  -0.00  -0.01  -0.01 
1 1 1   14    3   22 o   5.4106   1.2920   5.5814 -170.5000  -3.09 -10.43   2.97  -1.60 
1 1 1   14    3   23 o   15.129   0.3275   10.666   29.000   2.84  -3.15   0.36   1.07 
1 1 1   14    3   24 o   11.148   0.6236   12.606 -178.7000  -4.70   5.04  -0.64   4.13 
1 1 1   14    3   25 o   10.214   0.5223   3.6356  112.600  -3.43   3.60   0.19   0.97 
1 1 1   14    3   26 o   17.289   0.3869   22.865 -76.7000  -6.29  -8.48   0.26  -3.94 
1 1 1   14    3   27 o   13.527   0.6033   9.1097 -77.0000   1.13  -2.35   0.13   0.37 
1 1 1   14    4    0 o   12.329   0.2737   4.9104 -173.5000  -0.07   0.00   0.00   0.00 
1 1 1   14    4    1 o   6.4636   0.4185   11.898   13.200   0.41   1.44   0.49  -0.25 
1 1 1   14    4    2 o   21.210   0.7630   18.743  115.100 -12.60   0.98  -9.71   0.31 
1 1 1   14    4    3 o   18.068   0.7705   14.310  131.200  -3.47   4.63   0.29   1.46 
1 1 1   14    4    4 o   29.637   0.2812   28.666 -97.0000  -0.70  -0.41  -2.40   1.70 
1 1 1   14    4    5 o   18.061   1.4731   4.4256 -44.2000  21.30 -29.23   3.15  11.26 
1 1 1   14    4    6 o   17.934   1.2938   18.249   39.700  26.14   0.33  -8.68  -0.62 
1 1 1   14    4    7 o   39.112   0.5116   32.578   55.500   1.26   0.07   1.52   3.05 
1 1 1   14    4    8 o   7.9215   0.9658   5.2248 -174.4000 -19.08  -5.02  -6.79  -4.15 
1 1 1   14    4    9 f   24.165   0.3425   23.794 -124.5000  -1.21   0.19  -1.04  -0.31 
1 1 1   14    4   10 o   9.5156   1.1009   14.506 -85.8000  -2.41  -9.58   1.39  -0.67 
1 1 1   14    4   11 o   9.1754   1.5636   4.0098 -158.5000  21.00 -21.48  -0.08   8.21 
1 1 1   14    4   12 f   16.815   1.1013   18.087 -29.6000 -10.06 -22.05   4.09  -5.34 
1 1 1   14    4   13 o   24.950   0.6518   13.120   63.600  -3.20   6.15   1.30   3.74 
1 1 1   14    4   14 o   13.948   0.3665   16.776 -131.2000  -5.10   3.73  -0.53   4.39 
1 1 1   14    4   15 o   12.973   0.2877   8.3443   20.000  -0.82  -0.87   0.17  -0.45 
1 1 1   14    4   16 o   13.828   0.8310   18.807   54.100  19.73   6.23  -6.02  -3.62 
1 1 1   14    4   17 f   17.186   0.2455   21.181 -133.9000   0.25  -0.64  -0.19   0.45 
1 1 1   14    4   18 o   1.2169   0.9945   3.0831 -137.8000  -0.60  -1.00   0.09  -0.20 
1 1 1   14    4   19 o   5.6871   0.4622   3.2420   67.900   0.20  -0.13  -0.45  -0.19 
1 1 1   14    4   20 o   4.4000   0.5685   10.528  -0.1000   2.09   0.66  -0.80  -0.90 
1 1 1   14    4   21 o   6.2703   1.0264   6.3896 -143.2000  -7.48   0.66  -1.98   0.16 
1 1 1   14    4   22 o   3.3386   0.6887   2.5657   62.300  -0.10   0.17  -0.30  -0.55 
1 1 1   14    4   23 o   12.154   0.2987   9.1884  113.300  -1.11  -0.36  -0.42  -0.07 
1 1 1   14    4   24 o   14.418   0.2770   15.315  178.400  -0.31   0.58  -0.40   0.38 
1 1 1   14    4   25 o   9.8083   0.6002   4.2015 -88.5000   0.19  -0.47   0.01   0.03 
1 1 1   14    4   26 o   26.308   0.2691   24.348 -20.1000   1.69  -2.85   5.18  -2.91 
1 1 1   14    4   27 o   3.0364   0.6087   2.3929   7.7000   0.03   0.13  -0.19   0.10 
1 1 1   14    5    0 o   5.3009   0.5059   0.9911  160.800  -0.09   0.00   0.00   0.00 
1 1 1   14    5    1 o   19.392   0.9146   15.077  117.300  -5.90   8.82   0.49   1.05 
1 1 1   14    5    2 o   17.817   1.4201   14.277  128.300 -18.45  20.36   0.41   7.02 
1 1 1   14    5    3 o   7.7872   0.2595   10.770   24.300  -1.63  -1.50  -0.26  -1.36 
1 1 1   14    5    4 o   13.598   0.2152   5.8483 -135.5000   0.70  -0.15  -2.17  -0.65 
1 1 1   14    5    5 o   4.5208   0.3947   7.4871 -112.6000  -1.34  -0.13  -2.14  -0.84 
1 1 1   14    5    6 o   21.940   0.9211   13.852   26.200  17.38  -0.33  -3.39   0.36 
1 1 1   14    5    7 o   16.539   0.6597   12.957 -122.1000 -23.33   3.97 -12.02   5.23 
1 1 1   14    5    8 o   23.836   0.7810   25.696 -155.4000 -16.33  10.95  -1.81   5.79 
1 1 1   14    5    9 o   29.851   0.2678   25.113   64.100   0.12   0.39  -0.71   0.47 
1 1 1   14    5   10 o   11.846   1.1866   12.112  119.100 -23.79  10.55  -6.72   6.70 
1 1 1   14    5   11 o   8.7419   0.3148   4.3436   26.500   0.75   0.47  -0.53  -0.50 
1 1 1   14    5   12 f   9.4742   0.7705   4.7441   10.600   4.52   4.64   0.18  -1.69 
1 1 1   14    5   13 o   14.632   0.2776   19.768   53.600   1.45  -1.33  -0.40   0.96 
1 1 1   14    5   14 o   14.207   0.2342   11.682 -152.2000  -1.62   1.62   0.71   1.89 
1 1 1   14    5   15 f   7.2190   0.5040   2.2480   23.600   3.64  -0.30  -1.36   0.06 
1 1 1   14    5   16 o   13.532   1.1337   11.688  167.000 -16.82  -0.95  -4.25  -0.80 
1 1 1   14    5   17 o   18.724   1.9401   15.564  125.600 -33.40  18.27  -4.61   5.97 
1 1 1   14    5   18 o   15.933   0.7588   11.161   0.4000   4.18   2.02  -0.33  -0.58 
1 1 1   14    5   19 o   10.901   0.2948   10.508 -15.2000   0.62  -3.45   2.86   2.60 
1 1 1   14    5   20 o   6.7342   0.4208   11.387 -68.7000   0.43  -0.63   0.26   0.24 
1 1 1   14    5   21 o   7.1297   0.4376   2.5361  156.600  -0.23  -0.77   0.13  -0.97 
1 1 1   14    5   22 o   13.938   0.6608   16.854 -139.0000   3.79  -9.63   3.33   4.90 
1 1 1   14    5   23 o   20.489   0.2499   19.340   49.400  11.11  -1.13  -5.44   2.83 
1 1 1   14    5   24 o   15.977   1.6440   9.2087  119.200 -11.30  12.59  -0.07   3.05 
1 1 1   14    5   25 o   15.364   0.3208   16.259 -156.4000  -0.39  -1.18   0.95   0.95 
1 1 1   14    5   26 o   18.269   0.2746   14.081 -106.7000   0.13  -0.82  -0.93   0.02 
1 1 1   14    5   27 o   7.4662   0.6622   5.7512   6.7000   0.35   4.44   1.34   0.11 
1 1 1   14    6    0 o   12.166   0.2811   1.6368  -5.5000  -0.10   0.00   0.00   0.00 
1 1 1   14    6    1 o   19.291   0.6817   22.644  -7.4000   3.80  11.49   5.55  -3.35 
1 1 1   14    6    2 o   19.004   0.4110   18.762   74.100  -2.65   1.48  -0.71   0.84 
1 1 1   14    6    3 o   13.283   0.8141   11.444 -172.9000  -7.74  -7.32  -0.02  -2.66 
1 1 1   14    6    4 o   17.699   0.1698   14.164 -36.3000   0.05   0.18   0.08   0.02 
1 1 1   14    6    5 o   8.7591   0.7895   9.7465  137.100  -6.32   6.85   0.27   2.15 
1 1 1   14    6    6 o   19.766   0.8625   26.751   61.700   7.29   4.10  -0.62  -1.23 
1 1 1   14    6    7 o   14.980   1.0327   22.644   32.900  -2.74  22.76   6.68   2.00 
1 1 1   14    6    8 o   15.306   0.4637   13.752  137.800  -4.60  -2.55  -0.93  -2.01 
1 1 1   14    6    9 o   28.272   0.7223   30.920 -118.9000  -0.44 -10.18   3.20   0.24 
1 1 1   14    6   10 o   10.118   0.2807   8.7680 -26.6000   0.69   0.49  -0.03  -0.20 
1 1 1   14    6   11 o   4.0860   0.5737   4.3934 -119.0000  -0.10   0.13   0.10   0.09 
1 1 1   14    6   12 o   10.600   0.2858   7.6583   8.3000   0.35   0.26   1.68  -0.41 
1 1 1   14    6   13 f   7.7104   0.7457   12.481 -73.1000   4.58  -3.74  -0.18   1.41 
1 1 1   14    6   14 o   15.249   0.9357   5.2945  137.700  -6.97  13.90   2.25   2.60 
1 1 1   14    6   15 o   16.359   0.2422   12.150   61.000  -0.75   0.40  -0.05   0.20 
1 1 1   14    6   16 o   14.200   0.2533   13.518   64.300   2.26  -0.98  -0.39   1.44 
1 1 1   14    6   17 o   16.446   0.7054   13.404 -145.7000  -1.58  -9.89   4.82  -0.36 
1 1 1   14    6   18 o   3.2909   0.7110   5.9331 -40.9000   0.37   0.23  -0.02  -0.09 
1 1 1   14    6   19 o   6.4235   0.6365   9.9660 -35.9000   1.05  -2.43   0.47   0.36 
1 1 1   14    6   20 f   7.0903   0.4401   4.9704 -140.6000   0.70   0.08  -0.24  -0.22 
1 1 1   14    6   21 o   7.6352   0.4458   8.1726 -92.5000   0.78   0.32  -0.10  -0.05 
1 1 1   14    6   22 o   8.5027   0.4245   4.8249 -110.9000  -0.24   0.39   0.25   0.06 
1 1 1   14    6   23 o   11.027   0.6330   8.0630  119.100  -6.04   7.34   0.97   2.72 
1 1 1   14    6   24 o   13.015   0.3135   13.220 -128.1000   0.34   0.45  -0.02  -0.08 
1 1 1   14    6   25 o   0.0000   2.3503  ?   ?    0.07  -0.01   0.04   0.04 
1 1 1   14    6   26 o   17.420   0.1994   16.888 -43.2000  -1.00  -0.98  -1.02  -0.23 
1 1 1   14    7    0 o   15.093   0.2573   11.485  179.500  -0.17   0.00   0.00   0.00 
1 1 1   14    7    1 o   5.8450   0.6249   9.4219   27.800  -0.75   1.37   0.10   0.14 
1 1 1   14    7    2 o   12.103   0.6226   8.3559 -123.6000  -0.51  -6.52   1.92  -0.46 
1 1 1   14    7    3 o   19.026   0.4387   15.774  131.300  -1.81   1.13  -0.12   0.44 
1 1 1   14    7    4 o   25.938   0.2016   21.423 -167.0000   0.15  -6.04   4.03   1.31 
1 1 1   14    7    5 o   5.2055   1.3203   9.4233  -0.3000 -12.98   2.73  -3.54   1.43 
1 1 1   14    7    6 f   32.641   0.6905   23.273 -20.1000   4.45  -6.81   2.19   2.90 
1 1 1   14    7    7 o   12.239   1.6990   16.820  164.500 -57.20  -4.04 -15.75  -1.83 
1 1 1   14    7    8 o   14.652   1.0270   13.183 -134.9000 -24.52  -2.76  -6.27  -1.12 
1 1 1   14    7    9 o   12.131   0.6732   15.031   39.600   6.45   0.85  -1.07  -0.22 
1 1 1   14    7   10 o   5.6185   0.8079   3.2816 -27.5000   6.59   7.19   0.14  -2.61 
1 1 1   14    7   11 o   12.126   0.4887   12.120   61.300   4.74   1.82  -1.33  -0.91 
1 1 1   14    7   12 o   12.627   0.2642   17.507   9.7000  -0.19  -0.77   0.35  -0.88 
1 1 1   14    7   13 o   15.350   0.4027   12.895   52.400   1.86   2.38   0.69  -1.27 
1 1 1   14    7   14 f   4.1444   0.5905   10.369 -128.5000  -1.69  -0.08  -0.74   0.06 
1 1 1   14    7   15 o   7.1077   1.3561   2.1159 -149.5000 -16.75  -1.30  -4.32  -0.46 
1 1 1   14    7   16 o   13.881   0.7264   9.0878 -148.0000  -3.12  -0.95  -0.40  -0.44 
1 1 1   14    7   17 o   12.848   1.5395   14.023  158.000 -28.26  -0.84  -6.55  -0.84 
1 1 1   14    7   18 o   11.930   1.0324   8.0375   22.100   7.37   3.33  -0.77  -1.08 
1 1 1   14    7   19 o   1.4661   1.1171   2.0123 -163.4000  -0.12   0.04  -0.01   0.01 
1 1 1   14    7   20 o   6.4053   0.6044   9.8598   30.500   0.23  -1.88   0.37   0.02 
1 1 1   14    7   21 o   8.3433   1.3034   3.0265 -161.0000 -10.21  -6.61  -1.72  -2.87 
1 1 1   14    7   22 o   21.181   0.6393   23.142 -133.3000   3.02  -7.76   1.98   3.57 
1 1 1   14    7   23 o   14.434   0.3023   8.4592   39.600   5.64   0.95  -3.63   0.28 
1 1 1   14    7   24 o   11.774   1.1758   6.9499   62.400  -1.75   4.91   0.49   0.57 
1 1 1   14    7   25 o   13.469   0.3294   11.456 -177.4000  -1.16   0.68   1.70   1.06 
1 1 1   14    7   26 f   12.405   0.4105   16.661 -163.7000  -0.15  -0.64   0.27   0.23 
1 1 1   14    8    0 o   4.0620   0.6684   8.3118  -0.8000   0.02   0.00   0.00   0.00 
1 1 1   14    8    1 o   11.689   1.0622   10.468 -74.7000  -5.93 -23.59   7.63  -4.56 
1 1 1   14    8    2 o   7.1466   0.4291   5.5887   85.600   2.59   1.56  -0.42  -1.03 
1 1 1   14    8    3 o   6.7382   1.3834   6.6252   42.700  10.33  13.20   0.91  -4.19 
1 1 1   14    8    4 o   7.7847   0.2814   14.053   78.500   0.84  -0.28  -0.35   0.44 
1 1 1   14    8    5 o   12.986   0.1911   12.661 -170.1000  -0.26   0.09  -0.15   0.02 
1 1 1   14    8    6 o   17.636   0.1802   15.989   32.300   0.11   1.46   0.40   0.04 
1 1 1   14    8    7 o   8.5550   0.2680   15.069 -24.3000   1.87   5.60   6.74  -3.60 
1 1 1   14    8    8 o   29.364   0.3859   27.982  154.000  -3.16   2.66   0.13   1.32 
1 1 1   14    8    9 o   22.200   0.1973   20.147 -166.7000  -1.02  -5.59   9.52   0.34 
1 1 1   14    8   10 o   4.8646   0.7347   5.1298   87.500  -0.42   4.58   0.83   0.19 
1 1 1   14    8   11 o   4.3808   0.5507   7.8655 -36.3000   1.94  -0.36  -0.61   0.33 
1 1 1   14    8   12 o   5.2493   0.5011   7.1922 -73.2000   0.06   0.05  -0.12   0.07 
1 1 1   14    8   13 o   12.199   0.7796   19.033 -56.8000  -5.81  -9.29   1.14  -3.03 
1 1 1   14    8   14 o   10.204   0.3707   7.0393   24.800  -1.92   3.27   0.92   1.15 
1 1 1   14    8   15 o   10.253   0.3334   2.5839  102.700   0.87   0.52   0.04  -0.48 
1 1 1   14    8   16 o   9.4802   0.5316   8.4842   10.600   1.45  -2.43   0.45   0.51 
1 1 1   14    8   17 o   10.788   1.3232   11.631 -126.7000  -1.83 -17.49   4.12  -0.53 
1 1 1   14    8   18 o   19.521   0.2399   14.559   5.9000  -0.59  -0.79   0.45  -0.21 
1 1 1   14    8   19 o   7.1582   0.9796   7.1820 -21.6000  -0.44   7.46   2.36   0.62 
1 1 1   14    8   20 o   19.537   0.2494   14.206 -168.0000  -0.60  -1.39   1.41   0.52 
1 1 1   14    8   21 o   16.262   0.2725   14.428 -90.7000   0.03  -0.86   0.35  -0.74 
1 1 1   14    8   22 o   9.4218   0.4054   8.8869 -96.8000   0.25   0.09  -0.01  -0.01 
1 1 1   14    8   23 f   6.4502   0.6122   8.1440  120.500  -1.63   2.85   0.95   0.88 
1 1 1   14    8   24 o   10.380   0.6175   12.241 -39.0000   3.81  -0.96  -0.74   0.75 
1 1 1   14    8   25 o   6.2679   0.6081   7.9415   20.700   0.05   1.37   0.44   0.28 
1 1 1   14    9    0 o   10.909   0.3205   1.0796  -4.2000  -0.00   0.00   0.00   0.00 
1 1 1   14    9    1 o   10.689   0.2405   16.022   12.900  -0.18   0.21   0.08   0.10 
1 1 1   14    9    2 o   15.956   1.7692   4.3562 -154.3000 -44.35 -18.80  -7.86  -7.55 
1 1 1   14    9    3 o   17.316   0.4411   15.574  173.600  -1.45   3.45   1.29   0.89 
1 1 1   14    9    4 o   22.288   1.1203   21.085  156.000 -29.45 -26.33  -0.52  -9.66 
1 1 1   14    9    5 o   15.473   0.9786   14.533   56.600 -29.25  18.54  -5.57  10.37 
1 1 1   14    9    6 f   29.203   0.6737   17.197 -41.5000   0.26  -7.84   2.17  -0.27 
1 1 1   14    9    7 o   5.7882   0.7715   8.3868 -137.4000  -8.41   0.62  -3.02   0.62 
1 1 1   14    9    8 o   4.2497   0.7243   4.1559   63.800   2.79  -1.04  -0.49   0.37 
1 1 1   14    9    9 o   3.9749   0.4511   5.0800 -112.4000  -0.13  -0.26   0.02  -0.02 
1 1 1   14    9   10 o   1.5245   0.6989   6.7736 -113.5000  -0.05  -0.27   0.34   0.02 
1 1 1   14    9   11 o   19.925   0.7653   19.269   33.400  24.29  -0.75  -6.50   0.92 
1 1 1   14    9   12 o   12.268   0.4779   13.151   2.0000   5.79  -6.19   0.46   2.76 
1 1 1   14    9   13 o   18.163   0.5492   17.634  114.400  -2.65   4.78   0.62   1.60 
1 1 1   14    9   14 o   7.1056   0.9153   9.8620  152.200  -3.50   0.80  -0.40   0.26 
1 1 1   14    9   15 o   8.9557   0.5191   4.0548 -84.8000   5.21  -1.41  -3.95   0.91 
1 1 1   14    9   16 f   15.316   0.2622   14.074 -151.6000  -0.47   0.42   0.97   0.04 
1 1 1   14    9   17 o   12.781   1.3295   15.668 -174.5000 -21.15  -6.30  -5.37  -4.31 
1 1 1   14    9   18 o   6.7108   0.4825   8.2050   50.700  -0.07   0.23   0.01   0.02 
1 1 1   14    9   19 o   4.6472   0.6957   5.5903  178.600  -0.23   1.14   0.20   0.16 
1 1 1   14    9   20 o   4.8095   0.6956   1.8548  166.900   0.03   0.08   0.01   0.03 
1 1 1   14    9   21 o   8.3430   0.9761   7.8401 -127.0000  -8.73   1.31  -2.66   1.29 
1 1 1   14    9   22 o   12.975   0.9087   15.898 -137.3000  -2.21  -5.46   1.08  -0.66 
1 1 1   14    9   23 f   18.585   0.2757   16.270   70.600   1.06   0.55  -0.83   0.35 
1 1 1   14    9   24 o   15.315   0.4777   15.833   6.1000   1.41   2.01   1.79  -0.64 
1 1 1   14    9   25 o   11.733   0.3368   8.3086 -180.0000   0.42  -2.37   0.51   0.50 
1 1 1   14   10    0 o   3.2249   0.8281   3.1022  -0.3000  -0.00   0.00   0.00   0.00 
1 1 1   14   10    1 o   13.771   0.7736   15.077 -131.8000  -5.17  -9.73   1.87  -3.36 
1 1 1   14   10    2 o   11.345   0.2266   15.337 -132.7000   0.43  -0.43  -0.06   0.19 
1 1 1   14   10    3 o   8.2771   0.2841   11.085   85.400   0.95   1.82   0.91  -2.77 
1 1 1   14   10    4 o   22.225   0.2985   18.107  139.300  -0.26   1.19   1.52  -0.61 
1 1 1   14   10    5 o   10.039   0.2364   4.3592   95.800   0.00   0.03  -0.02   0.01 
1 1 1   14   10    6 o   29.178   0.2475   21.919   13.100   0.19  -1.33   0.31  -0.07 
1 1 1   14   10    7 o   9.7441   0.9307   13.716 -135.8000  -9.64 -15.06   1.94  -4.88 
1 1 1   14   10    8 o   27.971   0.5373   27.681 -174.6000  -3.47   3.59   0.15   0.66 
1 1 1   14   10    9 o   4.8536   0.7901   2.8022 -27.8000   0.32  -6.50   2.21   0.36 
1 1 1   14   10   10 o   18.318   0.6724   15.286  150.700  -5.57   2.76  -1.28   1.24 
1 1 1   14   10   11 o   7.8546   1.1021   5.6577  175.100 -17.39  -0.55  -4.02  -0.41 
1 1 1   14   10   12 f   31.186   0.2862   23.515 -96.3000  -0.34  -0.28   0.27   0.37 
1 1 1   14   10   13 o   4.7193   1.3574   8.5258   27.900  12.86  10.23  -0.72  -3.85 
1 1 1   14   10   14 f   14.067   0.2807   9.9883   7.3000  -0.68  -0.11  -0.06   1.03 
1 1 1   14   10   15 o   15.092   0.3261   11.707 -70.2000   2.76   0.70  -0.56  -0.13 
1 1 1   14   10   16 o   17.399   1.1219   12.990 -36.7000   9.56 -14.48   1.54   2.73 
1 1 1   14   10   17 o   11.816   0.3646   7.7930   96.000   1.49   5.17   1.35  -1.36 
1 1 1   14   10   18 o   13.285   0.3944   16.040   13.300  -0.65  -0.23  -0.04  -0.07 
1 1 1   14   10   19 o   8.9070   0.9520   9.7008   4.5000   1.93   7.22   2.24  -0.79 
1 1 1   14   10   20 o   19.076   0.2708   16.482 -161.7000  -1.14   0.80   0.72   0.86 
1 1 1   14   10   21 o   14.361   0.3280   11.129 -123.9000   0.02  -0.81   0.24  -0.23 
1 1 1   14   10   22 o   10.005   1.6364   9.2913 -62.1000   3.88  -7.02   0.59   0.72 
1 1 1   14   10   23 o   7.8644   0.5080   9.4718  128.600  -0.54  -0.23   0.30  -0.38 
1 1 1   14   10   24 o   7.2708   0.2694   7.7587 -80.9000   1.13  -0.68   0.60   1.56 
1 1 1   14   11    0 o   11.036   0.3341   11.914   0.6000  -0.14   0.00   0.00   0.00 
1 1 1   14   11    1 f   21.165   0.4142   15.490 -48.2000   1.60  -2.40   0.39   0.53 
1 1 1   14   11    2 o   7.5129   1.5419   8.8062 -55.6000 -24.36  -1.78  -6.46  -0.71 
1 1 1   14   11    3 o   23.150   0.5030   17.577 -127.9000   3.62  -5.39   0.34   1.63 
1 1 1   14   11    4 o   8.7954   0.8417   11.998   95.100 -19.65   0.62  -9.11  -0.02 
1 1 1   14   11    5 o   16.591   0.1892   16.681   60.500  -1.40   2.03  -0.27   2.72 
1 1 1   14   11    6 o   21.641   0.2561   16.935 -49.2000   0.95  -1.76   0.32   0.27 
1 1 1   14   11    7 o   24.382   0.1872   15.999 -133.0000  -0.67   0.86   0.55   0.35 
1 1 1   14   11    8 f   5.8547   0.3599   13.178   58.300   0.28  -1.08   0.82   0.95 
1 1 1   14   11    9 o   7.3820   0.7189   13.025 -58.0000   5.71  -2.54  -1.17   1.11 
1 1 1   14   11   10 f   9.1798   0.3150   11.292 -66.8000  -0.57  -2.74   0.45  -0.26 
1 1 1   14   11   11 o   19.064   0.4119   17.382   46.200   5.68   2.30  -1.44  -0.80 
1 1 1   14   11   12 o   8.2358   0.2967   7.2454   51.000   5.04  -1.62  -2.25   2.45 
1 1 1   14   11   13 o   21.659   0.7674   16.650  130.600  -2.69   0.68  -0.30   0.06 
1 1 1   14   11   14 o   6.4549   0.7528   12.201  105.700   0.91   6.18   0.99  -0.37 
1 1 1   14   11   15 o   11.281   0.5457   9.4898  127.000 -15.07   1.77  -5.60   1.94 
1 1 1   14   11   16 o   14.332   0.2191   17.322  178.000   0.10  -0.11   0.09  -0.04 
1 1 1   14   11   17 o   10.499   1.1056   10.667 -147.8000 -13.26  -5.79  -1.61  -2.05 
1 1 1   14   11   18 o   13.860   0.4939   16.227   15.400   3.08  -3.84   0.55   1.06 
1 1 1   14   11   19 o   5.0513   0.7006   2.5731 -66.5000   0.37  -1.31   0.42   0.08 
1 1 1   14   11   20 o   5.5162   0.6906   6.4813  162.600  -0.47   0.18  -0.03   0.02 
1 1 1   14   11   21 o   5.7793   0.3014   1.8662  108.000  -0.04  -0.75   1.00   1.58 
1 1 1   14   11   22 o   3.3619   0.4856   4.4019 -21.2000  -0.24  -0.50   0.44  -0.13 
1 1 1   14   11   23 o   14.033   0.2027   13.941   75.900   0.08   1.21   0.31   0.23 
1 1 1   14   11   24 o   10.142   0.2850   6.3901 -17.9000   0.59  -0.50   0.74  -1.27 
1 1 1   14   12    0 o   15.017   0.2842   13.595  -0.1000  -0.07   0.00   0.00   0.00 
1 1 1   14   12    1 o   15.063   0.2055   11.976 -140.9000   0.03  -0.09  -0.07  -0.07 
1 1 1   14   12    2 o   14.038   0.4814   8.5632 -66.5000   5.26  -2.32  -1.01   1.47 
1 1 1   14   12    3 o   4.1297   0.5156   5.3357 -160.5000  -0.00   0.02  -0.01   0.01 
1 1 1   14   12    4 o   8.5304   0.5687   5.8316  127.300  -0.60   6.16   2.26   0.20 
1 1 1   14   12    5 o   19.480   0.1795   13.597   83.700  -0.46   0.25   0.01   0.18 
1 1 1   14   12    6 o   26.293   0.4880   22.754   47.200   1.72   3.61   1.03  -0.68 
1 1 1   14   12    7 o   15.887   0.1904   20.164 -171.4000  -0.64  -3.50   0.84  -0.51 
1 1 1   14   12    8 o   6.4153   0.3345   8.8392 -136.3000  -0.11   0.06   0.01   0.05 
1 1 1   14   12    9 o   2.5366   0.7022   8.9916 -39.3000   0.89  -0.27  -0.14   0.07 
1 1 1   14   12   10 f   8.4243   0.8525   6.3772  165.400  -7.22  -0.53  -1.79  -0.49 
1 1 1   14   12   11 o   15.046   1.1993   10.506 -163.3000 -13.91  -5.34  -2.78  -3.34 
1 1 1   14   12   12 o   18.593   0.4173   18.105 -54.0000   1.24  -0.59  -1.12   0.06 
1 1 1   14   12   13 o   4.0839   1.8039   5.0566 -36.0000   5.31   4.11  -0.25  -1.22 
1 1 1   14   12   14 o   8.8573   0.3492   9.2928 -116.0000  -1.51   2.39   0.53   0.72 
1 1 1   14   12   15 f   6.8892   0.9997   7.8066 -137.3000  -6.78 -10.18   1.02  -2.11 
1 1 1   14   12   16 o   12.600   0.6358   10.843  -3.8000  12.79 -15.50   2.48   8.14 
1 1 1   14   12   17 o   3.6335   0.4640   2.6749   69.400   0.23   0.54   0.09  -0.21 
1 1 1   14   12   18 o   4.5588   0.4075   10.468 -49.1000   0.06  -0.55   0.38   0.48 
1 1 1   14   12   19 o   8.4540   0.2563   4.5139 -32.3000   0.63   0.48   0.12  -0.46 
1 1 1   14   12   20 f   17.378   0.4669   14.095 -157.9000  -4.78   0.88  -2.10   2.48 
1 1 1   14   12   21 o   4.0452   1.0075   8.9362 -174.9000   0.28  -3.29   0.49   0.14 
1 1 1   14   12   22 o   11.012   0.8409   11.649 -29.1000   4.02  -7.40   1.51   1.61 
1 1 1   14   12   23 o   10.906   0.2712   8.7574  177.100  -1.17   0.07  -0.36  -0.28 
1 1 1   14   13    0 o   7.3075   0.4745   3.0266   0.9000  -0.07   0.00   0.00   0.00 
1 1 1   14   13    1 o   10.815   1.0391   4.4427   67.900  -7.20  12.47   1.23   2.45 
1 1 1   14   13    2 o   8.4816   0.8981   8.8078 -74.0000  17.00  -0.64  -6.10   0.06 
1 1 1   14   13    3 o   27.664   0.2743   23.561 -112.3000   1.37  -2.44  -4.77   5.83 
1 1 1   14   13    4 o   9.1124   1.0027   15.018 -17.7000  11.87  -7.11  -1.21   2.63 
1 1 1   14   13    5 o   10.692   0.2703   8.0992  123.400  -0.42   0.19  -0.07   0.04 
1 1 1   14   13    6 o   6.6752   0.3817   7.5188   61.500  -0.94   0.46  -0.15   0.13 
1 1 1   14   13    7 o   15.924   0.2012   12.623 -116.1000   0.73   0.51  -1.31   0.83 
1 1 1   14   13    8 o   8.6359   0.2962   8.9256 -109.1000  -1.70   0.80   0.09   3.30 
1 1 1   14   13    9 o   2.4489   1.1153   3.6731 -128.9000  -1.46  -0.13  -0.60   0.01 
1 1 1   14   13   10 o   8.4232   0.4303   8.0490   1.0000   0.53   2.38   1.34  -0.13 
1 1 1   14   13   11 o   6.8939   0.3562   6.4970   60.900  -0.09  -0.03  -0.04   0.03 
1 1 1   14   13   12 f   21.443   0.3137   13.841   65.500   1.17  -0.30   0.47   1.43 
1 1 1   14   13   13 o   13.941   0.2080   6.0322   57.300   0.64  -0.16   0.33   0.97 
1 1 1   14   13   14 o   7.8922   0.9614   1.7764 -162.3000   2.20 -11.75   2.26   1.07 
1 1 1   14   13   15 o   16.104   0.1923   18.053  142.300  -1.03  -0.20  -0.44   0.16 
1 1 1   14   13   16 o   5.0220   0.4637   3.2366 -127.8000  -1.40  -1.42  -0.09  -0.49 
1 1 1   14   13   17 o   6.2078   0.6307   10.845 -83.4000   0.58  -2.61   0.36   0.23 
1 1 1   14   13   18 o   4.7596   0.9415   5.6672   4.8000  -1.05  -2.48   0.21  -0.27 
1 1 1   14   13   19 o   9.8319   0.2708   2.4006   34.400   0.82  -1.16   0.80   0.55 
1 1 1   14   13   20 o   12.829   0.3926   13.356   71.800   2.90   1.95  -1.39  -1.25 
1 1 1   14   13   21 f   11.722   0.2540   9.6393   74.200   0.05   0.83   0.23  -0.51 
1 1 1   14   13   22 o   12.098   0.5392   11.319 -37.5000   1.43  -3.15   0.21   0.51 
1 1 1   14   14    0 o   1.2649   1.1562   2.1733  -2.6000   0.00   0.00   0.00   0.00 
1 1 1   14   14    1 o   4.2136   0.5204   4.7175   84.700  -0.19   0.07  -0.01   0.01 
1 1 1   14   14    2 o   14.771   0.6959   12.761   10.700   0.03   6.67   2.01   0.47 
1 1 1   14   14    3 o   2.3768   1.1224   1.6226  133.400  -0.32   0.37  -0.00   0.05 
1 1 1   14   14    4 o   6.5893   0.6975   8.9402   77.300  -1.23   4.81   1.08   0.41 
1 1 1   14   14    5 o   17.525   0.2058   21.354   74.300   0.08   1.10   0.26  -0.35 
1 1 1   14   14    6 o   17.532   0.9617   10.754  100.900   2.53  11.20   2.26  -0.64 
1 1 1   14   14    7 o   13.315   0.3426   15.092  143.700   2.76   2.87  -0.17  -0.83 
1 1 1   14   14    8 o   10.138   0.9009   8.9447 -131.6000  -8.34  -1.41  -1.02  -0.26 
1 1 1   14   14    9 o   4.5683   0.9844   3.6362  111.400   3.22   1.44  -0.45  -0.63 
1 1 1   14   14   10 o   2.0724   0.9888   4.2847  115.000   1.76   0.46  -0.47  -0.19 
1 1 1   14   14   11 o   17.244   1.1378   7.6954 -146.1000 -18.57 -10.20  -2.52  -5.26 
1 1 1   14   14   12 o   12.623   0.4406   11.065   69.100   4.06   0.45  -2.32  -1.47 
1 1 1   14   14   13 o   9.4674   0.2697   6.9063 -56.8000   1.00  -0.10  -0.91  -0.51 
1 1 1   14   14   14 o   16.131   0.2933   17.875 -151.1000   0.19  -1.25   0.08   1.51 
1 1 1   14   14   15 o   16.810   0.2163   11.464  140.600  -1.43   1.04   0.68   1.15 
1 1 1   14   14   16 o   16.662   0.2090   13.691   6.9000   3.75  -5.04   2.55   3.37 
1 1 1   14   14   17 o   4.6471   0.4878   5.0158 -66.6000   0.29   0.02  -0.12   0.10 
1 1 1   14   14   18 o   4.2502   0.5723   1.4627 -84.7000  -0.42  -2.73   1.15  -0.07 
1 1 1   14   14   19 f   8.3630   0.4854   3.7802  170.500   1.19  -1.09   0.07   0.27 
1 1 1   14   14   20 o   6.4292   0.4331   1.2586 -167.8000  -0.45  -0.25  -0.43   0.10 
1 1 1   14   14   21 o   7.9278   1.1008   7.7966   92.900  -4.23   4.90   0.44   1.17 
1 1 1   14   15    0 o   6.6333   0.5096   6.3614  178.700   0.08   0.00   0.00   0.00 
1 1 1   14   15    1 o   21.557   1.0202   20.569  130.400  -9.12   6.54  -1.18   1.97 
1 1 1   14   15    2 o   5.7594   0.4239   1.0356 -178.2000  -0.12  -0.16  -0.27   0.06 
1 1 1   14   15    3 o   16.018   0.6029   14.399 -89.8000   7.88  -4.59  -4.84   4.21 
1 1 1   14   15    4 o   6.0938   0.6723   3.1472   10.600   0.18  -0.80   0.04   0.01 
1 1 1   14   15    5 o   10.813   0.2574   11.833  179.100  -0.08   0.46   0.07   0.09 
1 1 1   14   15    6 o   11.902   0.4253   17.561  119.800  -3.79   2.22  -1.39   1.42 
1 1 1   14   15    7 o   11.056   0.8148   8.0235   11.700  10.48  -6.85  -0.90   2.87 
1 1 1   14   15    8 o   18.940   0.4755   24.941 -126.5000 -13.80   5.76  -2.77   4.05 
1 1 1   14   15    9 o   8.0795   0.5957   10.613  152.100  -3.29   3.96   0.39   1.13 
1 1 1   14   15   10 f   15.224   0.2441   11.137   28.400  -0.24   0.31  -0.07   0.10 
1 1 1   14   15   11 f   5.7119   0.4287   4.6076   58.000   0.27  -0.33  -0.09   0.19 
1 1 1   14   15   12 o   20.807   0.2072   18.197   84.100   0.96  -3.64   0.92   0.11 
1 1 1   14   15   13 o   8.9804   0.5109   12.949   0.9000   5.59  -5.26   0.31   2.56 
1 1 1   14   15   14 f   10.609   0.2977   7.4494 -155.0000  -0.70   0.09   2.18   0.77 
1 1 1   14   15   15 o   12.042   0.2525   10.041  112.800  -0.46   0.22  -0.43  -0.74 
1 1 1   14   15   16 o   7.9152   0.3910   5.5134 -16.9000   0.72   0.08  -0.07  -0.04 
1 1 1   14   15   17 f   8.3403   1.1449   9.5613 -87.9000   5.80  -4.40  -0.37   0.90 
1 1 1   14   15   18 o   5.6271   0.5589   3.4518 -167.7000  -1.35  -0.57  -0.32  -0.15 
1 1 1   14   15   19 o   7.9806   0.4048   7.4619   44.000  -1.14   2.55   0.35   0.95 
1 1 1   14   15   20 o   10.265   0.5722   8.5867   76.700   2.62   2.86  -0.53  -1.37 
1 1 1   14   16    0 o   15.729   0.3147   13.667 -179.8000   0.00   0.00   0.00   0.00 
1 1 1   14   16    1 o   10.078   0.3561   6.6571   35.900   1.00   1.24   0.15  -0.28 
1 1 1   14   16    2 o   6.2023   0.7311   5.9011   23.900   2.88   0.38  -0.46  -0.21 
1 1 1   14   16    3 f   3.8512   0.6150   9.4575  174.200   0.38   0.16  -0.08  -0.04 
1 1 1   14   16    4 o   10.924   0.6697   13.182   43.700   2.62   6.93   1.08  -1.26 
1 1 1   14   16    5 f   9.4899   0.3147   13.036   52.200  -0.09   0.80   0.15   0.11 
1 1 1   14   16    6 o   8.8165   0.3336   11.975  101.300  -1.40   3.04   0.62   1.44 
1 1 1   14   16    7 o   8.7588   0.4143   10.650   77.700  -1.28   1.76   0.35   0.52 
1 1 1   14   16    8 o   11.586   0.6805   10.440 -135.5000 -10.97  -0.29  -3.96   0.44 
1 1 1   14   16    9 o   7.9542   0.7593   7.4685   50.000   5.24   1.79  -0.94  -1.02 
1 1 1   14   16   10 o   8.5125   0.3616   12.954   84.800  -2.56   0.36  -1.97  -0.45 
1 1 1   14   16   11 o   7.1090   1.0677   4.1834   83.000  -7.82   2.20  -1.93   0.82 
1 1 1   14   16   12 o   8.0993   0.3896   11.152  111.500  -0.97  -0.41  -0.29  -0.09 
1 1 1   14   16   13 o   1.9466   0.9222   2.7652   56.400  -0.03   0.02   0.00   0.00 
1 1 1   14   16   14 o   15.753   0.3034   10.213 -145.0000  -0.57   0.39  -0.09   0.06 
1 1 1   14   16   15 o   0.1656   0.6789   2.2093  165.700  -0.33  -0.23  -0.18  -0.12 
1 1 1   14   16   16 o   7.8787   0.7420   6.2275  -4.0000   0.04   3.22   0.50   0.09 
1 1 1   14   16   17 o   3.4493   1.5584   1.9288  -4.7000   1.17  -0.72  -0.05   0.17 
1 1 1   14   16   18 f   4.6439   0.6046   5.3435 -175.0000  -0.48  -0.28   0.35  -0.25 
1 1 1   14   16   19 o   4.5383   0.9622   5.2623 -84.7000   1.60  -1.43   0.08   0.40 
1 1 1   14   17    0 o   3.1781   1.0004   6.5906  -2.6000   0.08   0.00   0.00   0.00 
1 1 1   14   17    1 o   15.567   0.2486   18.000  103.100   1.61   1.19  -1.59  -0.90 
1 1 1   14   17    2 o   5.8001   0.4570   5.9118   49.000  -0.56  -0.43   0.16  -0.39 
1 1 1   14   17    3 o   9.5246   0.3035   12.322 -127.7000  -0.68   0.05  -0.20   0.83 
1 1 1   14   17    4 o   11.615   0.3974   8.2163  149.500  -2.62   2.79   0.63   1.53 
1 1 1   14   17    5 o   7.5354   0.3840   6.3237 -98.8000  -0.23   0.93   0.16   0.19 
1 1 1   14   17    6 o   14.844   0.2417   11.168  122.400  -3.93   3.69  -0.68   1.85 
1 1 1   14   17    7 o   6.2844   0.4550   11.159   43.900  -0.77   1.17  -0.34   1.19 
1 1 1   14   17    8 o   13.055   0.3332   14.342 -118.9000  -0.79  -0.49  -0.15  -0.10 
1 1 1   14   17    9 o   5.5291   0.5167   4.1911  151.700  -0.60   1.65   1.05   0.21 
1 1 1   14   17   10 o   13.064   0.2770   5.7993   45.900   0.49   2.41   0.77  -0.97 
1 1 1   14   17   11 o   1.9680   1.0595   2.9982 -80.4000  -0.82   0.18  -0.10   0.07 
1 1 1   14   17   12 f   8.7258   0.3682   6.9234   93.600   0.27   0.77   0.35   0.01 
1 1 1   14   17   13 o   6.6370   0.4752   6.8962 -19.3000   0.96  -1.12   1.06   0.76 
1 1 1   14   17   14 o   4.1355   0.9273   6.8642   50.700   0.72   0.68  -0.02  -0.09 
1 1 1   14   17   15 o   5.9297   0.5411   4.9060   29.200  -0.47  -0.66   0.20  -0.13 
1 1 1   14   17   16 o   1.9923   1.0971   1.9758 -32.5000  -0.02   0.89   0.08   0.02 
1 1 1   14   17   17 o   5.7515   0.5316   2.8045 -166.1000  -1.21   0.23  -0.19   0.67 
1 1 1   14   17   18 o   10.333   0.3308   8.5096 -110.6000   0.57  -0.05  -0.08  -0.15 
1 1 1   14   18    0 o   6.7082   0.6185   2.3242  -3.1000   0.07   0.00   0.00   0.00 
1 1 1   14   18    1 o   3.4231   0.7401   3.4573  100.900   0.56   0.51   0.03  -0.12 
1 1 1   14   18    2 o   5.6052   0.4867   6.4348 -82.5000   1.39  -0.73  -1.14   0.44 
1 1 1   14   18    3 o   6.7636   0.6785   5.0197  140.000   0.24   1.74   0.25  -0.16 
1 1 1   14   18    4 o   13.860   0.6223   11.635   38.800   3.39   1.90  -1.36  -0.92 
1 1 1   14   18    5 f   10.686   0.3053   4.8572  -5.7000  -0.64   1.97   0.41   1.43 
1 1 1   14   18    6 o   10.564   0.8740   3.8304   37.100   7.51   0.52  -2.36   0.23 
1 1 1   14   18    7 o   10.432   0.3560   7.1345   16.600  -0.08  -0.27  -0.06   0.22 
1 1 1   14   18    8 o   9.3721   0.8603   10.733 -152.3000  -8.77   0.53  -2.77   0.92 
1 1 1   14   18    9 o   2.9398   0.8656   6.6973  133.900  -0.57  -0.31  -0.15  -0.09 
1 1 1   14   18   10 o   0.0000   2.2079  ?   ?    0.11   0.13  -0.23  -0.00 
1 1 1   14   18   11 o   12.926   0.4629   11.328   98.400  -3.31   4.48  -0.21   2.36 
1 1 1   14   18   12 o   0.0000   2.2282  ?   ?    0.00  -0.29   0.06   0.03 
1 1 1   14   18   13 o   9.3770   0.3703   9.7025  171.200  -0.76   0.87   0.24   0.23 
1 1 1   14   18   14 o   3.0444   0.8495   6.6955   34.000  -0.62   0.62  -0.12   0.22 
1 1 1   14   18   15 o   8.3012   0.4213   6.8397 -104.0000  -1.62  -1.01  -0.97  -0.25 
1 1 1   14   18   16 o   6.6087   0.5568   9.5362  168.700  -0.47  -0.30  -0.22   0.13 
1 1 1   14   19    0 o   5.2536   0.7580   12.976  -0.1000   0.27   0.00   0.00   0.00 
1 1 1   14   19    1 o   14.701   0.2589   19.945   71.400  -0.58   0.26   0.71   0.14 
1 1 1   14   19    2 o   6.4876   0.6660   1.7756   47.900   2.11   2.01  -0.25  -0.73 
1 1 1   14   19    3 f   10.501   0.3138   10.054 -154.8000  -0.11  -0.17   0.03  -0.01 
1 1 1   14   19    4 o   9.7540   0.3437   3.3962   16.700   0.26  -1.69   0.64   2.24 
1 1 1   14   19    5 f   7.3461   0.4570   6.5227 -128.5000  -0.92  -0.36  -0.39  -0.04 
1 1 1   14   19    6 o   2.1404   1.0625   3.8430  114.300   0.00  -0.60   0.19  -0.12 
1 1 1   14   19    7 f   5.7349   0.5760   6.3769   28.800   0.42   0.14   0.01   0.53 
1 1 1   14   19    8 o   6.5484   0.5148   6.4781   73.400  -1.27   1.99   0.04   0.66 
1 1 1   14   19    9 f   2.5261   0.9582   3.1419  102.100   0.03  -0.30   0.02   0.16 
1 1 1   14   19   10 o   5.3694   0.8223   4.8060 -103.9000  -0.95   1.87   0.37   0.25 
1 1 1   14   19   11 o   3.9401   0.7861   4.9419  159.000   0.14  -0.20  -0.02   0.03 
1 1 1   14   19   12 o   6.6646   0.5174   3.4715  155.300   0.73  -0.02  -0.14  -0.13 
1 1 1   14   19   13 o   1.1138   1.1573   1.0956  114.100   0.44  -1.21   0.19   0.09 
1 1 1   14   19   14 o   14.299   0.3571   15.076   44.700   3.27   0.05  -0.90   0.89 
1 1 1   14   20    0 o   1.8708   1.4518   3.4997  -0.4000   0.00   0.00   0.00   0.00 
1 1 1   14   20    1 o   8.9552   0.3864   6.5691  139.600  -0.06   0.61   0.05   0.05 
1 1 1   14   20    2 f   6.5529   0.4970   9.4405 -83.4000   1.60  -0.76  -1.58   0.07 
1 1 1   14   20    3 o   4.6137   0.8120   2.3792  118.000   0.60  -0.47  -0.04   0.06 
1 1 1   14   20    4 o   9.0065   0.4151   12.884   79.000  -1.36   0.86  -0.22   0.17 
1 1 1   14   20    5 o   7.4278   0.4914   4.5713  123.900   0.36   0.17  -0.10   0.02 
1 1 1   14   20    6 o   6.3283   1.0666   8.9302   53.600   3.25   1.52  -0.57  -0.40 
1 1 1   14   20    7 o   3.4015   1.5684   1.8718 -75.0000   0.08  -0.89   0.08   0.04 
1 1 1   14   20    8 o   7.4230   0.4910   3.5910 -113.6000  -0.96  -1.20  -1.93  -0.68 
1 1 1   14   20    9 f   0.5723   1.0608   5.9167  157.900  -0.25   0.00  -0.04   0.04 
1 1 1   14   20   10 o   6.1107   0.6135   1.7845   83.300   0.17   0.13  -0.04   0.01 
1 1 1   14   20   11 o   5.8119   0.6360   6.9813  160.600  -0.67  -0.04  -0.06  -0.09 
1 1 1   14   20   12 o   4.0629   1.0565   4.5980  153.900  -0.28   0.80   0.08   0.02 
1 1 1   14   21    0 o   4.5826   1.0924   6.8423   0.4000   0.40   0.00   0.00   0.00 
1 1 1   14   21    1 o   5.3339   0.6610   5.8938  108.300  -0.29   0.06   0.06   0.08 
1 1 1   14   21    2 o   6.7257   0.7111   3.1912 -176.8000  -2.81  -0.51  -0.42  -0.38 
1 1 1   14   21    3 o   3.6086   0.9379   5.4912 -145.1000   0.01   0.67   0.07   0.04 
1 1 1   14   21    4 o   2.2312   1.0148   4.1728   9.3000  -0.36   0.03   0.05   0.23 
1 1 1   14   21    5 o   8.5984   0.9422   10.251 -167.0000  -4.26   1.03  -0.64   0.74 
1 1 1   14   21    6 o   1.9171   1.0651   2.6061   75.200   0.24   0.00   0.12  -0.12 
1 1 1   14   21    7 f   10.379   0.9520   7.3444   8.1000   4.06   0.35  -0.71   0.21 
1 1 1   14   21    8 o   4.7281   0.7811   3.6722   15.100  -0.02   0.63  -0.26   0.29 
1 1 1   14   21    9 o   1.8739   1.2698   5.1518 -88.9000  -0.86   0.11  -0.11   0.09 
1 1 1   14   22    0 o   0.0000   3.7550   1.3856 -178.0000  -0.06   0.00   0.00   0.00 
1 1 1   14   22    1 f   0.0000   2.5391  ?   ?    0.03   0.08  -0.03  -0.01 
1 1 1   14   22    2 o   7.5604   0.5354   5.3552 -45.0000   1.35  -0.17  -0.29  -0.30 
1 1 1   14   22    3 o   6.3691   0.6559   7.4223 -99.4000  -0.30  -0.86  -0.06  -0.22 
1 1 1   14   22    4 o   0.0000   2.5506  ?   ?   -0.07   0.08  -0.02   0.00 
1 1 1   14   22    5 o   0.0000   2.5201  ?   ?   -0.09   0.20   0.11   0.01 
1 1 1   15    0    1 o   3.6742   0.6885   6.3877 -91.4000  -0.00  -0.01   0.00   0.00 
1 1 1   15    0    2 o   8.8657   0.3262   14.706  179.700  -0.11   0.00   0.00   0.00 
1 1 1   15    0    3 o   4.7329   0.5376   5.0000 -90.0000  -0.00  -0.03   0.00   0.00 
1 1 1   15    0    4 o   6.2048   0.4146   14.201 -179.8000  -0.04   0.00   0.00   0.00 
1 1 1   15    0    5 o   5.5588   0.4481   6.8968 -88.6000   0.00   0.07   0.00   0.00 
1 1 1   15    0    6 o   10.183   0.3142   23.161  -0.2000   0.19   0.00   0.00   0.00 
1 1 1   15    0    7 o   19.021   0.2670   15.488   89.800  -0.00  -0.08   0.00   0.00 
1 1 1   15    0    8 o   20.017   0.2321   27.035 -179.9000  -0.17   0.00   0.00   0.00 
1 1 1   15    0    9 o   13.019   0.2487   8.4106   89.800  -0.00  -0.13   0.00   0.00 
1 1 1   15    0   10 o   17.615   0.2325   20.286  179.800  -0.47   0.00   0.00   0.00 
1 1 1   15    0   11 o   3.0984   0.5988   2.6448 -86.3000  -0.00  -0.02   0.00   0.00 
1 1 1   15    0   12 o   25.102   0.2309   26.328   0.1000   0.80   0.00   0.00   0.00 
1 1 1   15    0   13 o   2.2583   0.5957   2.2760 -85.6000   0.00   0.10   0.00   0.00 
1 1 1   15    0   14 f   13.138   0.4913   12.291  -0.9000   0.05   0.00   0.00   0.00 
1 1 1   15    0   15 o   2.1448   1.4799   4.7298 -90.4000  -0.00  -0.05   0.00   0.00 
1 1 1   15    0   16 o   23.341   0.3960   23.123  179.900  -1.17   0.00   0.00   0.00 
1 1 1   15    0   17 o   13.345   0.5293   10.569   90.300  -0.00  -0.09   0.00   0.00 
1 1 1   15    0   18 o   23.896   0.4235   24.047  -0.1000   1.17   0.00   0.00   0.00 
1 1 1   15    0   19 o   10.124   0.6311   10.422   89.800   0.00   0.49   0.00   0.00 
1 1 1   15    0   20 o   7.1764   0.8813   5.5604  179.000  -0.05   0.00   0.00   0.00 
1 1 1   15    0   21 o   1.5811   1.7229   4.3114 -90.6000  -0.00  -0.06   0.00   0.00 
1 1 1   15    0   22 o   20.010   0.4853   20.951 -179.6000   0.01   0.00   0.00   0.00 
1 1 1   15    0   23 o   18.501   0.4793   13.842   90.100   0.00   0.02   0.00   0.00 
1 1 1   15    0   24 o   10.262   0.2751   9.5152   0.1000  -0.07   0.00   0.00   0.00 
1 1 1   15    1    0 o   2.8107   0.7819   3.3126   93.000  -0.00  -0.04   0.00   0.00 
1 1 1   15    1    1 o   9.4467   0.3620   12.889   0.6000  -0.09  -0.11   0.00  -0.00 
1 1 1   15    1    2 o   26.613   0.1910   17.306  132.000   2.08   4.26   0.98  -2.76 
1 1 1   15    1    3 o   28.620   0.3851   22.238 -142.0000  -5.34   2.02  -0.75   0.95 
1 1 1   15    1    4 o   16.453   0.3951   18.665 -63.4000   3.38   1.34  -1.50  -2.32 
1 1 1   15    1    5 o   18.176   0.9759   15.183  119.000  -8.98   5.01  -1.07   1.46 
1 1 1   15    1    6 o   18.174   0.6305   15.816   72.100  16.74   0.17  -5.19   0.38 
1 1 1   15    1    7 o   10.652   0.9665   10.497 -119.0000  -1.06 -10.97   2.97  -0.38 
1 1 1   15    1    8 o   7.5808   0.4950   11.291  141.200  -7.32   3.06  -1.94   2.27 
1 1 1   15    1    9 o   12.540   1.4677   15.244  123.200  -0.42  29.50   7.35   0.52 
1 1 1   15    1   10 o   9.4512   0.2252   14.053 -101.0000   1.57  -1.39  -0.46   1.35 
1 1 1   15    1   11 o   5.6232   1.0134   1.8152 -76.9000  -0.73 -20.48   7.29  -0.29 
1 1 1   15    1   12 o   21.207   0.1960   26.395   80.300   0.41   1.69 -17.35   3.64 
1 1 1   15    1   13 o   9.2071   0.3414   7.9139  141.500   0.68  -0.84   0.07   0.14 
1 1 1   15    1   14 o   18.707   0.1984   18.439 -97.2000   3.14  -2.49  -9.96   3.40 
1 1 1   15    1   15 o   7.8642   0.7037   12.299   84.900  -3.19   5.48   0.70   1.55 
1 1 1   15    1   16 o   18.334   0.2228   16.503 -96.4000  -0.91  -0.22  -0.02  -0.95 
1 1 1   15    1   17 o   11.961   0.2219   12.574 -101.5000   0.37  -1.32  -1.14   4.33 
1 1 1   15    1   18 o   8.2530   0.2600   11.395  101.500   1.36   0.87  -0.85  -0.70 
1 1 1   15    1   19 o   8.3491   0.9441   5.5777   19.000   2.94   0.25  -0.19  -0.01 
1 1 1   15    1   20 o   10.796   0.2081   9.3247 -50.1000  -0.34  -0.16  -0.14  -0.04 
1 1 1   15    1   21 o   8.6416   0.2380   9.0858 -146.3000   0.18   0.13   0.02   0.65 
1 1 1   15    1   22 o   7.4923   0.2895   7.0101 -95.8000  -1.53   0.73  -0.21   0.49 
1 1 1   15    1   23 f   13.111   0.2414   11.120   6.4000   0.62   0.02   0.41  -0.85 
1 1 1   15    1   24 o   5.9351   0.4519   10.325 -58.1000  -0.13  -0.01  -0.01  -0.02 
1 1 1   15    2    0 o   4.5166   0.5664   0.6113 -84.9000  -0.00  -0.08   0.00   0.00 
1 1 1   15    2    1 o   6.6846   0.3918   7.6957 -167.3000   0.39   2.14   0.87  -0.21 
1 1 1   15    2    2 f   4.9400   0.4191   8.3633   93.800   0.24   1.02   0.13  -0.08 
1 1 1   15    2    3 o   17.003   0.4360   8.4137  -7.2000   2.16  -3.41   0.65   3.54 
1 1 1   15    2    4 o   20.730   0.5069   23.469 -140.0000  -1.44  -0.90  -0.08  -0.47 
1 1 1   15    2    5 o   19.300   0.8115   10.092 -160.5000  -7.14  -9.34   1.84  -4.58 
1 1 1   15    2    6 o   37.382   1.3071   33.819   49.100   7.65  12.04   3.38  -4.19 
1 1 1   15    2    7 o   8.0635   1.3420   1.1625   92.800  -2.29  18.67   5.10   1.50 
1 1 1   15    2    8 o   36.590   0.6759   34.132 -121.9000  -0.77   0.03   0.14   0.64 
1 1 1   15    2    9 o   15.963   0.7427   9.7360   96.900  -3.25  10.37   1.38   0.82 
1 1 1   15    2   10 o   18.666   0.5155   12.903 -166.8000  -1.42  19.39   5.86   0.38 
1 1 1   15    2   11 o   18.494   0.2093   14.691 -149.2000  -0.90   0.87   0.46   0.80 
1 1 1   15    2   12 o   18.384   0.5684   12.461 -40.5000   3.33 -16.69   5.18   1.56 
1 1 1   15    2   13 f   20.877   0.2664   22.926   23.000   5.74  -1.65  -2.11   3.41 
1 1 1   15    2   14 o   12.344   0.3261   13.659   44.000   1.63   0.86  -0.02  -1.67 
1 1 1   15    2   15 o   15.293   0.4342   8.8205 -119.5000  -6.27  -2.10  -2.32  -1.10 
1 1 1   15    2   16 o   28.123   0.7755   23.172 -166.4000  -3.46  -9.62   8.78  -2.03 
1 1 1   15    2   17 o   16.026   0.4789   14.474   69.700   3.93   1.82  -0.70  -1.43 
1 1 1   15    2   18 f   20.163   0.6011   17.461 -26.9000   3.46 -17.86   5.89   1.29 
1 1 1   15    2   19 o   5.4242   0.3753   4.9549  123.500   2.19   2.71  -0.34  -4.09 
1 1 1   15    2   20 o   10.528   0.3171   8.9640  144.100  -1.30  -0.39  -0.33  -0.45 
1 1 1   15    2   21 o   5.7319   1.1070   4.3799 -103.1000  -3.38  -5.45   0.45  -1.14 
1 1 1   15    2   22 o   18.420   0.2315   20.577 -178.1000  -0.19   1.74   0.41  -0.13 
1 1 1   15    2   23 o   9.2481   0.6729   8.5043   72.500  -2.32  -1.92  -0.11  -0.29 
1 1 1   15    2   24 o   20.452   0.2462   10.998 -20.4000  -0.60   0.23   0.18   0.12 
1 1 1   15    3    0 o   18.732   0.2320   8.2097   90.000   0.00   0.15   0.00   0.00 
1 1 1   15    3    1 o   12.935   0.4352   4.6288   65.500  -0.12  -0.56   0.01  -0.01 
1 1 1   15    3    2 o   13.912   0.2355   12.746  175.500  -0.49  -2.52   6.99   0.75 
1 1 1   15    3    3 o   22.367   0.4001   25.932 -98.5000 -10.84  -1.83  -3.57  -0.75 
1 1 1   15    3    4 o   6.6008   0.9275   7.1341 -76.7000  -2.43 -10.54   2.26  -1.22 
1 1 1   15    3    5 o   23.306   0.6403   23.420  101.000  -5.59   0.82  -5.09  -0.31 
1 1 1   15    3    6 o   4.6012   0.4140   7.7135 -67.7000   3.36  -0.55  -1.33   0.58 
1 1 1   15    3    7 o   17.823   0.4021   11.518 -84.7000   0.34  -0.90   0.04   1.30 
1 1 1   15    3    8 f   6.3404   0.2902   4.7380  124.500  -1.54   0.49  -2.04   2.95 
1 1 1   15    3    9 o   12.212   1.0275   13.152  122.000   4.96  20.22   7.17  -3.21 
1 1 1   15    3   10 o   7.2500   0.2082   10.029  156.900  -0.02  -0.04   0.03   0.07 
1 1 1   15    3   11 o   26.270   0.3771   18.195 -36.3000  -0.76  -0.09   1.43   1.29 
1 1 1   15    3   12 f   13.343   1.4853   16.729   1.3000  24.01 -12.63  -2.47   4.20 
1 1 1   15    3   13 f   29.383   0.2253   29.796  154.400   1.05  -1.48   0.10   0.10 
1 1 1   15    3   14 o   10.853   0.5843   7.5125 -151.7000  -8.02   4.94  -1.21   3.87 
1 1 1   15    3   15 f   15.775   0.8633   16.512   67.100  -8.19   8.93  -0.53   5.85 
1 1 1   15    3   16 f   22.896   0.4748   19.933 -89.9000  -2.04   0.09  -0.11   0.03 
1 1 1   15    3   17 o   20.800   0.2129   19.496 -92.9000  -3.42  -1.22 -10.32   5.00 
1 1 1   15    3   18 o   13.869   0.2296   14.580   50.100  -0.64   0.17  -0.47  -0.31 
1 1 1   15    3   19 o   13.812   0.6705   8.3431   0.9000   9.67   4.81  -1.61  -1.63 
1 1 1   15    3   20 o   8.7447   0.3201   3.4357 -54.3000   0.03  -0.09   0.02  -0.05 
1 1 1   15    3   21 o   17.846   0.2378   10.263 -164.0000   0.88   0.34  -0.18   1.47 
1 1 1   15    3   22 o   5.2455   0.7982   3.3782 -45.6000   1.58  -1.34  -0.15   0.39 
1 1 1   15    3   23 o   18.843   0.3003   14.649   7.1000  -0.36  -0.63  -0.54  -0.11 
1 1 1   15    3   24 o   3.9914   0.7147   5.3710   70.300   0.41   0.22  -0.06  -0.03 
1 1 1   15    4    0 o   24.306   0.2504   22.142 -89.9000  -0.00  -0.11   0.00   0.00 
1 1 1   15    4    1 o   7.2898   0.5451   6.2252  128.900  -1.73   5.32   2.15   1.88 
1 1 1   15    4    2 o   20.103   0.1793   21.319   81.600   0.22   0.24  -0.60   0.07 
1 1 1   15    4    3 o   15.536   1.4027   9.0024 -100.8000   6.62 -28.70   5.86   3.19 
1 1 1   15    4    4 o   14.299   0.7533   14.533 -163.1000  -3.19  -3.48   0.17  -0.88 
1 1 1   15    4    5 o   19.196   0.1722   15.114 -12.4000   0.13   1.32   0.22  -0.11 
1 1 1   15    4    6 o   14.518   0.6024   9.5330   45.700   3.47   3.62   0.48  -2.25 
1 1 1   15    4    7 o   15.981   0.3666   8.9968 -172.2000   0.65   2.42  11.66   4.48 
1 1 1   15    4    8 f   3.5561   0.6831   9.4824   22.900   2.05   0.85  -0.30  -0.27 
1 1 1   15    4    9 o   8.0873   0.4654   10.694   3.1000   2.42  -5.53   2.38   3.22 
1 1 1   15    4   10 o   27.207   0.2109   23.110 -135.0000  -0.95   1.65   0.72   0.41 
1 1 1   15    4   11 o   19.416   0.5099   20.341 -145.7000   2.66  -4.17   0.43   4.24 
1 1 1   15    4   12 o   8.5269   0.3283   3.6898 -79.5000  -0.02  -0.42   0.08  -0.05 
1 1 1   15    4   13 o   23.944   0.3082   26.925   33.000   0.04   1.63  -1.33   2.82 
1 1 1   15    4   14 o   6.8654   0.6059   6.4197  111.300  -0.45   2.88   0.75   0.38 
1 1 1   15    4   15 o   28.134   0.2290   21.396 -110.7000  -0.91  -0.47  -0.64   0.81 
1 1 1   15    4   16 o   15.696   0.2313   12.799 -152.9000  -0.94   2.34   4.52  -0.08 
1 1 1   15    4   17 o   9.6776   0.6106   10.179   44.400   5.28   0.19  -1.66  -0.40 
1 1 1   15    4   18 o   11.663   0.2678   9.8148 -58.2000  -0.97  -1.91   0.21  -1.58 
1 1 1   15    4   19 o   5.6558   0.4568   1.3912 -105.0000  -0.04   0.93   0.84  -0.56 
1 1 1   15    4   20 o   6.7398   0.4523   6.2438 -138.3000   0.06   0.05   0.03   0.04 
1 1 1   15    4   21 o   8.0443   0.7941   10.324  107.800   2.50   4.25   0.83  -1.00 
1 1 1   15    4   22 o   8.2933   0.3983   10.799 -135.9000  -0.38  -0.34   0.24  -0.18 
1 1 1   15    4   23 o   6.4729   0.5311   4.9056  -6.1000   0.41  -0.26  -0.17   0.06 
1 1 1   15    4   24 o   13.379   0.3184   15.443 -76.4000  -0.35  -1.00  -0.95  -0.59 
1 1 1   15    5    0 o   13.338   0.2826   8.1030   87.800   0.00   0.15   0.00   0.00 
1 1 1   15    5    1 o   12.736   0.4146   4.2753   34.200   1.24   0.47  -0.05  -0.04 
1 1 1   15    5    2 o   9.6776   0.2359   5.7803 -51.6000  -0.07  -0.34  -0.82   2.24 
1 1 1   15    5    3 o   15.762   0.7350   10.620 -22.1000   7.89   6.24  -0.37  -2.89 
1 1 1   15    5    4 o   17.113   0.5366   11.509  134.900   0.05   7.03   3.40   0.55 
1 1 1   15    5    5 o   19.149   0.3443   18.313  152.700  -4.79  -0.79  -2.81  -1.94 
1 1 1   15    5    6 o   6.8584   0.2881   9.8370 -53.3000   0.67   0.86  -0.06  -1.04 
1 1 1   15    5    7 o   5.8488   0.3758   8.4582 -27.3000   2.32   0.43  -0.82  -0.43 
1 1 1   15    5    8 o   8.9696   0.9662   6.1719   12.500   8.75  -3.95  -1.02   1.06 
1 1 1   15    5    9 o   17.573   0.4486   18.956 -176.0000   0.02   3.28   2.25   0.68 
1 1 1   15    5   10 o   19.761   0.6003   19.007  121.900  -2.14   3.79   0.52   1.76 
1 1 1   15    5   11 o   30.298   0.6941   32.653 -22.1000  -0.04  -2.39   0.63   0.68 
1 1 1   15    5   12 o   16.923   0.2378   14.790  -9.5000   0.45  -1.73   0.71  -0.04 
1 1 1   15    5   13 o   22.676   0.6290   25.338  157.700  -1.79   6.42   0.90   0.30 
1 1 1   15    5   14 o   14.181   0.2429   10.181 -178.7000  -0.50  -1.14   2.21   0.51 
1 1 1   15    5   15 o   8.4506   0.5454   7.7465  150.900  -3.16   3.90  -0.01   3.22 
1 1 1   15    5   16 o   8.4458   1.0647   9.0176 -57.7000   2.11 -16.21   4.35   0.79 
1 1 1   15    5   17 o   7.9448   0.9109   7.4897 -70.3000   8.86  -2.39  -2.53   1.13 
1 1 1   15    5   18 o   16.826   0.2372   18.497   48.400   0.98  -0.01  -0.13   0.06 
1 1 1   15    5   19 o   14.592   0.2804   7.6502 -82.8000  -0.80   0.24   1.18  -2.36 
1 1 1   15    5   20 o   7.5173   0.4514   7.7032 -166.0000  -0.40  -0.49   0.13  -0.15 
1 1 1   15    5   21 o   16.897   0.6109   12.322  102.200  -1.80   3.07   0.12   1.07 
1 1 1   15    5   22 o   10.619   0.3482   9.8876 -41.7000  -0.03  -0.45   0.07  -0.13 
1 1 1   15    5   23 f   12.019   0.3466   11.247   31.400  -1.13   0.54  -0.02   0.20 
1 1 1   15    5   24 o   7.7229   0.4743   7.7146  112.200   0.53  -0.83   0.40   0.12 
1 1 1   15    6    0 o   1.0488   1.0700   7.1460   90.400   0.00   0.04   0.00   0.00 
1 1 1   15    6    1 o   8.9043   0.2529   10.196 -145.9000   0.44  -0.34   1.37   1.34 
1 1 1   15    6    2 o   2.5057   1.1502   2.0652  166.500  -0.50  -0.49  -0.01  -0.07 
1 1 1   15    6    3 f   15.124   1.3406   5.5019 -66.7000   2.21 -33.40   8.29   1.54 
1 1 1   15    6    4 o   2.3103   0.6578   10.349   92.900   0.10  -0.10  -0.11   0.15 
1 1 1   15    6    5 o   18.210   0.6448   20.341 -62.3000  -5.60  -5.45  -0.29  -1.88 
1 1 1   15    6    6 o   22.379   0.2886   24.080 -103.6000  -0.35   0.91   0.36   0.07 
1 1 1   15    6    7 f   11.083   0.2089   11.798  103.700  -0.53   0.77  -1.09   2.35 
1 1 1   15    6    8 o   24.640   0.7871   30.102   54.300  25.18  -2.74 -10.39   3.67 
1 1 1   15    6    9 o   16.354   0.1655   10.981 -103.9000  -0.44   0.31   0.93   0.68 
1 1 1   15    6   10 o   17.376   0.4622   24.252 -132.7000  -5.90  -1.82  -1.40  -0.53 
1 1 1   15    6   11 o   12.435   0.2687   11.476 -31.9000  -2.42  -0.11  -1.97   1.04 
1 1 1   15    6   12 o   4.4246   0.5692   2.4656 -67.4000   0.26  -0.36  -0.34   0.45 
1 1 1   15    6   13 o   4.0574   0.6396   9.2584   60.700  -1.80   1.61  -0.35   1.09 
1 1 1   15    6   14 o   8.6190   0.8594   5.6314  105.200 -11.77   2.35  -4.93   1.41 
1 1 1   15    6   15 o   15.362   0.2347   15.029 -108.5000   0.15   0.01  -0.01  -0.01 
1 1 1   15    6   16 o   6.0825   0.5619   8.1541 -120.7000  -1.02   0.82  -0.01   0.16 
1 1 1   15    6   17 o   3.5134   0.7019   4.6147 -103.0000  -0.80   0.08  -0.18   0.10 
1 1 1   15    6   18 o   9.5487   0.4626   7.0913 -100.2000  -4.43  -1.98  -1.04  -0.79 
1 1 1   15    6   19 o   9.0146   0.4140   5.6044 -30.9000   1.94   1.10  -0.39  -0.38 
1 1 1   15    6   20 f   11.023   0.3475   13.737  160.400  -0.31   0.29  -0.34  -0.02 
1 1 1   15    6   21 o   13.575   0.5307   9.5565   93.400  -3.13   3.73  -0.18   1.45 
1 1 1   15    6   22 o   6.9325   0.5711   7.9898 -60.7000  -1.51   0.13  -0.36  -0.09 
1 1 1   15    6   23 o   9.6068   0.4137   6.0531 -68.7000  -0.05  -0.19   0.01   0.04 
1 1 1   15    7    0 o   1.5811   1.0420   10.440   89.600   0.00   0.02   0.00   0.00 
1 1 1   15    7    1 o   4.6942   0.4215   8.8417   90.900   0.94   0.47  -0.30  -0.27 
1 1 1   15    7    2 o   9.3001   0.2519   13.295   59.400   0.16   0.12   0.26  -0.18 
1 1 1   15    7    3 o   13.235   0.4058   12.674 -28.4000   2.76   1.45  -0.30  -0.60 
1 1 1   15    7    4 o   11.659   0.4923   8.4649   75.800  -0.52   2.20   0.24   0.15 
1 1 1   15    7    5 o   20.434   0.5952   11.314  141.700   2.01   7.14   2.76  -2.59 
1 1 1   15    7    6 o   4.1373   1.1017   3.4670  167.300  -0.93   6.97   2.12   0.45 
1 1 1   15    7    7 o   4.0317   0.4482   8.0753 -52.1000  -0.04  -0.05  -0.06  -0.05 
1 1 1   15    7    8 f   6.1913   0.2915   4.6068 -155.6000   0.67  -1.89   1.03   0.58 
1 1 1   15    7    9 o   8.6289   0.5725   9.6674  161.600  -4.70   1.60  -1.25   0.71 
1 1 1   15    7   10 o   6.0830   0.7038   11.338  127.100  -1.07   7.36   1.98   0.78 
1 1 1   15    7   11 o   17.447   0.5615   17.160 -21.3000   0.42  -2.97   0.50   0.34 
1 1 1   15    7   12 o   2.1983   1.0456   4.1557   84.500  -0.64   0.62   0.05   0.31 
1 1 1   15    7   13 o   5.7068   0.4911   12.610  117.000  -0.07  -0.22   0.20   0.16 
1 1 1   15    7   14 o   5.3276   0.8901   7.5893  101.600  -0.12   5.78   2.12  -0.20 
1 1 1   15    7   15 o   2.8269   1.3040   7.7675 -179.3000   1.46  -1.69   0.13   0.50 
1 1 1   15    7   16 o   10.688   1.9001   8.5868 -12.9000   9.08 -33.68   6.63   3.32 
1 1 1   15    7   17 o   8.3912   0.9598   6.2298 -135.3000  -5.48   3.09  -0.45   1.06 
1 1 1   15    7   18 o   13.346   0.2963   13.059   95.600  -2.60   1.23  -0.35   0.98 
1 1 1   15    7   19 o   12.767   0.3460   12.285  -7.6000  -0.26   1.93   0.22   0.01 
1 1 1   15    7   20 o   2.7166   0.9414   3.1118  175.800  -0.16  -0.05   0.20   0.16 
1 1 1   15    7   21 f   14.393   0.7445   16.560   70.600  -2.51   5.44   0.64   1.41 
1 1 1   15    7   22 o   10.774   0.3789   8.6305 -32.8000   0.98  -0.31   0.86   1.16 
1 1 1   15    7   23 o   0.0000   2.2525  ?   ?   -0.26  -0.26  -0.02  -0.07 
1 1 1   15    8    0 o   9.3381   0.3556   8.4034   91.000   0.00   0.30   0.00   0.00 
1 1 1   15    8    1 o   18.447   0.1799   15.420 -99.4000   0.60  -1.39   0.98   0.33 
1 1 1   15    8    2 o   11.932   0.3095   14.898 -27.4000   3.55   3.38   0.25  -2.29 
1 1 1   15    8    3 f   9.4914   0.7919   9.4925   86.500   4.46  13.41   3.22  -2.73 
1 1 1   15    8    4 o   11.094   0.8109   5.1739 -165.8000 -12.60  -4.65  -3.16  -2.34 
1 1 1   15    8    5 f   16.849   1.0233   15.506 -80.7000 -10.29 -15.57   1.40  -4.11 
1 1 1   15    8    6 f   13.626   0.7753   24.752 -92.6000  -1.61 -17.75   3.94  -0.47 
1 1 1   15    8    7 o   1.9608   0.7340   7.0566  104.400   0.62   0.31  -0.34  -0.29 
1 1 1   15    8    8 o   14.296   0.2721   17.202   64.800   3.65  -0.80  -3.22   8.66 
1 1 1   15    8    9 f   11.108   0.1991   9.1476  159.800  -0.56   0.28  -0.28   0.08 
1 1 1   15    8   10 o   10.205   0.4057   13.481 -147.1000  -7.37  -0.63  -4.72   0.13 
1 1 1   15    8   11 o   21.245   0.2796   21.221   6.4000   1.30  -0.65  -0.74   0.12 
1 1 1   15    8   12 o   18.938   0.3820   17.209 -104.9000  -6.42   0.53  -4.27   2.66 
1 1 1   15    8   13 o   6.4766   0.4972   6.3822   81.300  -3.25   0.43  -1.30   0.08 
1 1 1   15    8   14 o   13.617   1.5377   16.524   33.800  43.78   1.66 -12.66  -0.09 
1 1 1   15    8   15 f   5.1170   0.5829   6.4987  161.300   0.35  -0.68   0.07   0.06 
1 1 1   15    8   16 o   9.6276   0.7731   7.9131 -161.8000  -3.57  -4.46   0.07  -1.21 
1 1 1   15    8   17 o   15.585   0.2782   10.833 -64.5000  -0.15  -0.50   0.16   0.08 
1 1 1   15    8   18 o   23.080   0.7337   17.939 -61.7000   4.49  -2.37  -3.37   1.37 
1 1 1   15    8   19 o   9.7565   0.3885   13.163 -13.1000   0.29   0.43  -0.09  -0.17 
1 1 1   15    8   20 o   18.610   0.5237   13.965  152.000  -3.84  -1.50  -0.53  -1.55 
1 1 1   15    8   21 o   7.8038   0.6513   4.1318 -171.0000   1.24  -1.50   0.21   0.37 
1 1 1   15    8   22 o   0.0000   2.4029  ?   ?   -0.05   0.17  -0.14   0.08 
1 1 1   15    9    0 o   5.7271   0.5330   3.9142   89.300  -0.00  -0.07   0.00   0.00 
1 1 1   15    9    1 o   23.055   0.1901   29.749   86.600  -1.18   0.42  -1.86  -0.86 
1 1 1   15    9    2 o   5.6688   0.3980   0.5405 -53.5000   0.14   0.14   0.05   1.09 
1 1 1   15    9    3 o   9.2683   0.2524   12.066 -89.2000   0.94  -0.16  -0.65  -0.03 
1 1 1   15    9    4 o   12.956   0.2969   14.878   39.900   1.44   4.89   1.77  -0.80 
1 1 1   15    9    5 o   10.727   0.3495   4.7331  103.000   0.72   0.96   0.01  -0.37 
1 1 1   15    9    6 f   14.266   0.1961   12.007 -163.4000   0.06  -3.90   5.66   5.01 
1 1 1   15    9    7 o   5.4635   0.3700   2.4858 -15.4000   0.39   0.12  -0.08  -0.18 
1 1 1   15    9    8 f   8.5171   0.2571   8.2339   50.200   0.42   0.28   0.01   2.39 
1 1 1   15    9    9 o   6.4913   0.3974   11.936   21.000  -0.14   0.55   0.04   0.01 
1 1 1   15    9   10 o   11.682   0.1922   6.3240 -104.9000  -0.45  -1.51   0.71  -1.53 
1 1 1   15    9   11 f   4.5127   0.3182   7.4469 -138.4000   0.72  -0.35  -0.16   0.14 
1 1 1   15    9   12 o   12.914   0.5531   9.8745  119.700  -0.45   4.54   1.21  -0.01 
1 1 1   15    9   13 o   9.0592   0.3509   16.535   64.100   0.42   0.36   0.06  -0.15 
1 1 1   15    9   14 o   15.213   0.7231   13.717   63.600  -2.07   9.76   3.23   0.79 
1 1 1   15    9   15 o   9.4791   0.6070   7.4832  140.200  -2.91   2.33  -0.36   0.77 
1 1 1   15    9   16 o   4.1726   0.7375   7.0960  158.200   0.34   0.46   1.19   0.75 
1 1 1   15    9   17 o   17.671   0.2662   14.799 -150.5000  -3.48   2.51   0.23   2.15 
1 1 1   15    9   18 o   8.9728   0.8721   5.6509  145.400  -2.61   4.09   0.50   0.68 
1 1 1   15    9   19 o   16.293   0.3252   20.086   41.800   0.84   0.54   1.49   0.86 
1 1 1   15    9   20 o   12.631   0.4291   10.758   35.900  -2.62   5.24   3.26   1.66 
1 1 1   15    9   21 f   0.0000   2.3820  ?   ?   -0.02   0.05  -0.07  -0.03 
1 1 1   15    9   22 o   9.0286   1.0568   10.586  -7.5000   3.05  -1.55  -0.16   0.47 
1 1 1   15   10    0 o   1.9748   1.0184   7.8409 -89.6000   0.00   0.02   0.00   0.00 
1 1 1   15   10    1 o   5.1344   0.4411   2.6635  101.000  -0.07   0.32   0.06   0.09 
1 1 1   15   10    2 o   10.754   0.2429   14.366   47.700   0.10   0.37   0.17   0.07 
1 1 1   15   10    3 o   15.106   0.3000   17.170  137.900  -3.49  -0.89  -0.85  -0.90 
1 1 1   15   10    4 o   6.0487   0.3830   4.4248 -167.7000  -0.79  -0.33  -0.41  -0.15 
1 1 1   15   10    5 f   12.526   0.4022   12.893 -77.0000   5.69   0.17  -2.28  -0.71 
1 1 1   15   10    6 f   12.356   0.2055   13.738 -144.0000  -1.23   0.80   4.17   2.56 
1 1 1   15   10    7 o   5.5564   0.3757   2.8014   54.300  -0.14   0.48   0.10   0.16 
1 1 1   15   10    8 o   16.048   0.5880   17.456   82.100  -7.57  12.10   1.93   6.56 
1 1 1   15   10    9 o   12.925   0.2052   12.730   89.200   1.07   0.82  -0.20  -0.29 
1 1 1   15   10   10 o   18.301   0.4776   15.024 -173.2000  -5.27   4.49   0.02   1.35 
1 1 1   15   10   11 o   5.2236   0.4171   6.2852 -14.2000   1.33  -0.48  -0.23   0.14 
1 1 1   15   10   12 o   16.067   0.4734   17.070 -80.7000  11.89  -3.90  -4.53   2.32 
1 1 1   15   10   13 o   9.1417   0.3429   5.5746 -91.2000   0.98  -2.00   0.23   0.52 
1 1 1   15   10   14 o   10.146   0.9162   10.863  -1.7000   8.27   2.74  -1.97  -1.02 
1 1 1   15   10   15 o   9.7461   0.3809   10.094 -159.1000  -0.59  -0.99  -0.00  -0.35 
1 1 1   15   10   16 o   11.023   1.0165   9.9031  108.200   1.80   6.66   1.02  -0.41 
1 1 1   15   10   17 o   15.685   0.2943   12.320 -47.8000  -0.82  -0.11  -0.12  -0.15 
1 1 1   15   10   18 o   34.563   1.2804   29.878 -69.6000   5.98  -7.38  -1.85   3.73 
1 1 1   15   10   19 o   11.832   0.3655   10.578   18.900  -1.05   0.54   0.32   0.69 
1 1 1   15   10   20 f   24.074   0.2545   14.048  115.000   3.90   0.82  -0.91   0.11 
1 1 1   15   10   21 o   16.103   0.6314   11.033  176.900  -1.27  -3.49   0.27  -0.92 
1 1 1   15   11    0 f   5.5045   0.5804   2.9698   89.100  -0.00  -0.22   0.00   0.00 
1 1 1   15   11    1 o   17.077   0.1930   21.194   72.200   0.04   0.31  -0.25  -0.05 
1 1 1   15   11    2 o   3.1559   1.4248   5.5577   0.1000   1.57   2.17   0.12  -0.49 
1 1 1   15   11    3 o   9.5777   0.2735   11.015  179.500   0.64  -0.19  -0.76  -1.48 
1 1 1   15   11    4 o   7.4254   0.6361   9.1417   8.8000   1.16  -4.42   1.24   0.45 
1 1 1   15   11    5 o   11.329   0.4148   12.083 -102.8000   3.53  -1.61  -0.74   1.73 
1 1 1   15   11    6 o   6.4489   0.3531   6.8151 -162.3000  -1.92   1.76   0.51   2.31 
1 1 1   15   11    7 o   3.2802   0.6183   1.6999   66.400   0.26  -0.05  -0.01   0.00 
1 1 1   15   11    8 o   3.8642   1.3277   7.5153   32.100   3.53  -0.59  -0.69   0.30 
1 1 1   15   11    9 o   9.0571   0.4462   10.494   10.300   1.19  -1.14  -0.09   0.33 
1 1 1   15   11   10 o   10.474   0.2268   10.251 -85.4000  -0.46  -0.98   0.02  -1.21 
1 1 1   15   11   11 f   6.9625   0.2939   8.6912  169.300   0.41  -0.23   0.84   0.87 
1 1 1   15   11   12 o   15.722   0.2037   12.058   95.300  -0.51  -0.31   0.01  -0.14 
1 1 1   15   11   13 f   12.378   0.3426   7.6665 -20.8000   0.25   1.00   0.12  -0.03 
1 1 1   15   11   14 o   8.7177   0.4802   8.6542   76.100  -1.12   7.57   2.56   0.44 
1 1 1   15   11   15 o   15.784   0.4034   18.270  162.000  -1.88  -1.33   0.09  -0.76 
1 1 1   15   11   16 o   9.1033   0.7549   6.5380  142.100  -1.14   4.72   0.83   0.66 
1 1 1   15   11   17 o   7.2712   1.0735   6.0810 -113.1000   3.24  -3.84  -0.03   1.04 
1 1 1   15   11   18 o   7.2652   0.5413   5.3008 -78.7000  -0.54  -0.01  -0.04  -0.02 
1 1 1   15   11   19 o   15.960   0.7808   14.435   56.800  -2.20   8.16   2.30   3.03 
1 1 1   15   11   20 f   16.754   0.3036   16.827   21.600  -1.01   0.68   0.46   0.27 
1 1 1   15   12    0 o   15.592   0.2865   10.988 -90.5000  -0.00  -0.70   0.00   0.00 
1 1 1   15   12    1 o   10.704   0.5002   12.848   88.900   3.60   1.04  -1.21  -0.43 
1 1 1   15   12    2 o   7.8220   0.4990   14.527   48.300   3.19   0.14  -1.19   0.14 
1 1 1   15   12    3 f   12.488   0.7027   14.793  116.900  -6.49   4.05  -0.90   1.35 
1 1 1   15   12    4 o   8.0669   0.3136   8.2565   4.6000   0.18   0.10  -0.09   0.37 
1 1 1   15   12    5 o   20.843   0.3704   20.647 -100.7000   5.16  -6.41  -1.96   8.35 
1 1 1   15   12    6 o   7.4861   0.5021   8.6388 -176.0000  -3.04   3.02   0.27   1.56 
1 1 1   15   12    7 o   4.3988   0.4997   8.5128   26.100   0.19  -0.26   0.55   0.05 
1 1 1   15   12    8 f   5.8959   0.9362   11.731  101.300  -2.15   5.45   0.74   0.84 
1 1 1   15   12    9 o   10.378   0.5612   7.4485   61.300   4.57   3.65  -0.37  -1.02 
1 1 1   15   12   10 o   15.777   0.3255   10.887 -134.9000  -0.97   0.36  -1.24  -0.56 
1 1 1   15   12   11 o   3.6744   0.5321   4.2163 -104.1000  -0.20  -0.52   0.04  -0.05 
1 1 1   15   12   12 o   5.2927   0.7303   9.6407   80.700  -2.35   0.48  -0.25   0.14 
1 1 1   15   12   13 o   14.447   0.6199   8.7654 -158.3000 -13.39   1.08  -3.48   1.07 
1 1 1   15   12   14 o   9.3412   0.5281   3.8290 -85.7000  -0.63  -2.17   0.21  -0.10 
1 1 1   15   12   15 o   12.954   0.4930   13.602 -71.7000   2.80  -5.24   0.73   0.81 
1 1 1   15   12   16 o   16.158   0.3474   15.428   55.200  -2.28   4.24  -0.49   5.80 
1 1 1   15   12   17 o   7.5560   0.4880   3.9429 -116.9000  -0.85   0.74  -0.34   0.31 
1 1 1   15   12   18 o   14.825   0.7448   17.091 -107.5000   2.32  -6.44   1.29   2.39 
1 1 1   15   12   19 o   17.732   0.5852   11.102   90.800  -5.87   3.16  -0.16   1.74 
1 1 1   15   12   20 f   19.913   0.3040   16.059   79.200   1.21   0.26  -0.15   0.42 
1 1 1   15   13    0 f   14.876   0.3030   14.967 -91.0000  -0.00  -0.10   0.00   0.00 
1 1 1   15   13    1 o   3.9206   1.1600   4.2290  -5.9000   0.16  -1.98   0.23   0.06 
1 1 1   15   13    2 o   4.9608   0.6759   3.9613   73.700   0.99   3.24   0.82  -0.77 
1 1 1   15   13    3 o   17.057   0.3300   16.515  166.300  -1.93  -3.49   0.35  -2.02 
1 1 1   15   13    4 o   9.4694   0.7947   6.5615 -88.4000   6.24  -9.84   1.47   2.42 
1 1 1   15   13    5 o   6.3169   0.5956   8.5243 -103.5000   3.36  -0.34  -0.76   0.29 
1 1 1   15   13    6 o   4.2993   0.5487   2.1970 -107.2000   0.57  -0.24  -0.70   0.01 
1 1 1   15   13    7 f   17.532   0.2647   7.9943 -160.1000  -0.76  -2.92   1.26  -0.11 
1 1 1   15   13    8 o   8.6746   0.8553   1.6593 -56.5000  -6.31  -4.56  -0.32  -1.52 
1 1 1   15   13    9 o   2.1498   0.8054   2.4091   57.500  -0.33   0.29   0.07   0.19 
1 1 1   15   13   10 o   3.2018   0.9332   2.4005 -171.0000   0.26   0.41   0.01  -0.02 
1 1 1   15   13   11 o   9.2904   0.2673   7.4319   27.700   2.00  -4.53   2.32   1.47 
1 1 1   15   13   12 o   0.0000   1.9228  ?   ?    0.21   0.06  -0.04  -0.20 
1 1 1   15   13   13 o   5.5556   0.4391   7.6734 -117.8000  -0.55  -0.82   0.11  -0.14 
1 1 1   15   13   14 o   9.5117   1.0143   9.9712  135.300  -5.88  -2.02  -0.42  -0.41 
1 1 1   15   13   15 o   13.505   0.2106   12.755 -175.7000  -0.39   0.00   0.44   0.05 
1 1 1   15   13   16 o   4.4036   0.4826   8.8670   3.8000   0.53   0.40   0.13  -0.34 
1 1 1   15   13   17 o   7.1935   0.3475   5.6207   87.800  -2.61  -0.47  -0.80  -0.07 
1 1 1   15   13   18 o   3.7689   0.7534   2.6519  120.600  -0.70  -0.60  -0.04  -0.09 
1 1 1   15   13   19 o   16.838   0.7149   11.756  -6.2000   8.92  -8.98   1.20   3.78 
1 1 1   15   14    0 o   31.733   0.2904   29.228 -89.7000  -0.00  -2.02   0.00   0.00 
1 1 1   15   14    1 f   4.8233   0.7421   10.179  100.600  -2.42  -1.14  -0.30  -0.53 
1 1 1   15   14    2 o   12.530   1.3050   9.6818   17.000  27.43  -2.57  -5.92   1.62 
1 1 1   15   14    3 o   11.412   1.3412   9.3066   98.000  -9.06  21.56   2.59   3.04 
1 1 1   15   14    4 o   1.9868   0.8779   1.8194 -83.3000  -0.07   0.24  -0.03   0.26 
1 1 1   15   14    5 o   17.132   0.9734   12.255 -65.7000  16.29 -16.74  -0.74   7.15 
1 1 1   15   14    6 f   11.345   0.6375   5.7822 -100.5000   5.48  -4.78  -0.74   2.08 
1 1 1   15   14    7 o   14.163   0.6083   7.4693  107.900  -2.40   4.80   0.47   1.06 
1 1 1   15   14    8 o   6.2931   0.5067   5.8346 -91.4000  -0.29  -1.19   0.12  -0.11 
1 1 1   15   14    9 o   7.4674   0.5450   11.527  -6.2000   3.96   0.32  -1.11   0.05 
1 1 1   15   14   10 f   5.2084   1.0223   8.1510 -88.1000  -3.85   2.55  -0.49   0.83 
1 1 1   15   14   11 o   4.5227   0.5530   4.2508   5.5000   0.13   0.05  -0.05   0.02 
1 1 1   15   14   12 o   13.541   0.2429   11.715  121.300  -0.42   3.35   0.72  -0.01 
1 1 1   15   14   13 o   14.205   0.3988   14.072  176.300  -5.04   2.59  -0.61   1.93 
1 1 1   15   14   14 o   6.6731   0.4097   3.4200 -140.3000   1.51  -0.86  -0.63   0.43 
1 1 1   15   14   15 o   15.494   0.2647   15.674 -38.9000   6.60  -1.92  -1.25   1.44 
1 1 1   15   14   16 o   14.048   0.7294   14.192 -17.9000  10.50 -15.53   2.62   4.33 
1 1 1   15   14   17 o   9.4612   1.1739   10.010  145.200  -7.57   1.84  -0.88   0.29 
1 1 1   15   14   18 o   11.459   0.6200   15.926  148.900  -4.92   4.60   0.95   2.81 
1 1 1   15   15    0 o   22.401   0.2995   24.868 -90.2000   0.00   0.39   0.00   0.00 
1 1 1   15   15    1 o   10.179   1.0086   6.6960 -79.7000   2.22  -6.64   0.55   0.52 
1 1 1   15   15    2 o   1.2888   1.0021   3.7292  155.500  -0.07  -0.15   0.11   0.20 
1 1 1   15   15    3 o   12.228   0.2756   9.1260 -175.1000   0.37   1.06   0.65   0.11 
1 1 1   15   15    4 o   13.986   0.3892   11.665 -158.0000   0.48   2.50   0.62  -0.00 
1 1 1   15   15    5 o   6.5549   0.4441   3.4260 -149.1000  -0.11  -0.24   0.06  -0.00 
1 1 1   15   15    6 f   10.731   0.3439   11.528 -60.0000   1.94   2.16   0.45  -0.91 
1 1 1   15   15    7 o   12.512   0.2634   12.365  158.500  -0.29   0.00   0.26  -0.15 
1 1 1   15   15    8 o   6.7303   0.8364   5.6038  145.400  -3.97  -2.43  -0.27  -0.81 
1 1 1   15   15    9 o   5.1185   0.5339   3.2780 -101.6000   0.56  -0.92   0.01   0.44 
1 1 1   15   15   10 o   0.7636   0.9793   6.1599 -150.6000   0.00  -0.20   0.03  -0.01 
1 1 1   15   15   11 o   20.525   0.4227   15.342   21.800   1.86   3.96   1.89  -0.56 
1 1 1   15   15   12 o   10.221   0.2984   9.6971 -80.5000  -2.86  -1.48  -1.76  -0.90 
1 1 1   15   15   13 o   6.2928   0.4501   6.1961  163.800  -1.19  -0.82   0.10  -0.59 
1 1 1   15   15   14 o   7.0455   0.4540   6.6385  141.900  -2.94   0.75  -1.85   0.06 
1 1 1   15   15   15 o   3.4380   0.6627   6.7021 -112.3000   0.03  -0.33  -0.02   0.22 
1 1 1   15   15   16 o   12.106   0.2664   10.007 -21.5000   0.15  -0.29  -0.11   0.01 
1 1 1   15   16    0 o   22.027   0.2934   22.853 -90.0000  -0.00  -1.47   0.00   0.00 
1 1 1   15   16    1 o   8.9549   0.4998   6.5913  140.400  -0.27   2.62   0.59  -0.04 
1 1 1   15   16    2 o   13.014   0.9278   10.555   7.5000  11.05   0.73  -2.09   0.03 
1 1 1   15   16    3 o   6.1076   0.4774   6.4093 -54.2000   1.52  -2.41   0.90   0.92 
1 1 1   15   16    4 o   6.5258   0.4689   7.2635 -167.0000   0.33  -0.04  -0.04   0.10 
1 1 1   15   16    5 o   5.4912   0.6106   9.2457 -56.3000   0.91  -1.32   0.03   0.26 
1 1 1   15   16    6 o   6.2739   1.0148   8.1622 -89.4000   2.18  -5.69   0.86   1.05 
1 1 1   15   16    7 o   15.269   0.2403   16.413  137.400  -0.28  -1.01   0.47   0.14 
1 1 1   15   16    8 o   6.0151   0.4959   6.1137 -102.0000   0.57   0.07  -0.10  -0.14 
1 1 1   15   16    9 f   11.711   0.2944   8.1758 -33.8000   0.43   0.04   0.37   0.25 
1 1 1   15   16   10 o   9.5345   0.6293   8.3526   30.700   2.46  -3.16   0.45   0.78 
1 1 1   15   16   11 o   4.2522   0.6735   5.6628   21.600  -0.03  -0.02  -0.00  -0.00 
1 1 1   15   16   12 o   16.214   0.2430   11.637  162.600  -2.30   2.98   1.70   1.28 
1 1 1   15   16   13 f   9.8394   0.3423   9.7171 -168.1000  -0.16  -0.78   0.28   0.73 
1 1 1   15   16   14 o   0.0000   2.1908  ?   ?   -0.17  -0.03  -0.06   0.20 
1 1 1   15   16   15 o   4.2917   0.6951   6.6391  -3.4000  -0.11   0.64   0.07   0.18 
1 1 1   15   17    0 o   1.3784   1.2974   4.1832 -91.8000   0.00   0.06   0.00   0.00 
1 1 1   15   17    1 o   3.8214   0.6862   5.5512 -35.6000   0.00  -0.04  -0.01   0.01 
1 1 1   15   17    2 o   3.6783   0.7156   3.2545  104.200   0.18  -0.37   0.01   0.10 
1 1 1   15   17    3 f   4.7760   0.6399   6.8793 -115.4000   0.57  -0.17  -0.05   0.11 
1 1 1   15   17    4 o   14.537   0.2625   10.612  166.600  -0.87  -0.64  -0.77   0.05 
1 1 1   15   17    5 o   3.1756   0.8059   2.5171 -121.0000  -0.48  -0.16  -0.12  -0.01 
1 1 1   15   17    6 f   10.928   0.4910   11.499 -60.2000   0.72  -0.30  -0.02   0.12 
1 1 1   15   17    7 o   10.913   0.5635   10.070  142.400  -3.00   1.76  -0.40   0.39 
1 1 1   15   17    8 o   9.6958   0.3608   13.523  170.000  -1.17  -0.21  -0.15  -0.87 
1 1 1   15   17    9 o   3.5239   0.7509   3.6470 -148.2000  -0.18   0.19   0.02   0.02 
1 1 1   15   17   10 o   9.8111   0.3619   8.2022 -43.8000  -0.48  -0.24  -0.12  -0.00 
1 1 1   15   17   11 o   4.4503   0.6844   7.6021   21.500   0.36  -0.67   0.08   0.05 
1 1 1   15   17   12 o   6.7952   0.5277   4.3850 -35.3000  -2.27   0.54  -0.34   0.48 
1 1 1   15   17   13 o   0.0000   2.1904  ?   ?   -0.12   0.04  -0.08  -0.07 
1 1 1   15   18    0 o   1.5811   1.3498   5.2889 -89.2000  -0.00  -0.13   0.00   0.00 
1 1 1   15   18    1 o   15.180   0.8784   12.547 -160.0000  -6.43   3.23  -0.60   1.78 
1 1 1   15   18    2 o   9.0947   0.3714   9.4533 -14.6000   0.07   0.31  -0.23  -0.04 
1 1 1   15   18    3 f   14.213   0.4519   9.1452 -46.9000   1.08  -1.01   1.15   0.36 
1 1 1   15   18    4 o   3.4360   0.8232   3.2920   0.3000   0.27   0.16   0.16  -0.08 
1 1 1   15   18    5 o   4.3548   0.6832   5.1944 -62.2000   0.13   0.09  -0.02  -0.00 
1 1 1   15   18    6 o   5.5209   0.5809   7.6578 -151.2000  -0.77   0.89   0.23   0.25 
1 1 1   15   18    7 o   10.355   0.7814   10.188  142.000  -1.97   4.55   1.43   0.69 
1 1 1   15   18    8 o   1.3654   1.1551   4.1346  164.800  -0.35  -0.34  -0.01  -0.03 
1 1 1   15   18    9 o   3.0308   1.4255   4.6284 -33.8000   0.26  -0.94   0.13   0.02 
1 1 1   15   18   10 o   12.224   0.3452   13.402   25.000   0.24   1.02  -0.00   0.68 
1 1 1   15   18   11 f   0.0000   2.4541  ?   ?    0.02   0.09   0.03   0.02 
1 1 1   15   19    0 o   2.8461   1.2578   11.333   87.900   0.00   0.03   0.00   0.00 
1 1 1   15   19    1 o   3.5303   0.8276   3.9255  126.400  -0.47   0.50  -0.04   0.09 
1 1 1   15   19    2 o   2.8114   1.2975   3.8754 -81.4000   1.83   0.51  -0.20  -0.09 
1 1 1   15   19    3 o   5.4344   1.0754   5.8130 -89.4000  -1.42  -0.73  -0.05  -0.14 
1 1 1   15   19    4 o   4.9407   0.7157   2.9714   68.600  -0.51  -0.43  -0.17  -0.06 
1 1 1   15   19    5 o   1.7560   1.1445   4.0065 -72.8000  -0.65  -0.41  -0.26  -0.11 
1 1 1   15   19    6 o   9.1016   0.4132   11.272 -153.8000  -1.30  -0.20  -0.08  -0.08 
1 1 1   15   19    7 o   1.5283   1.1670   4.3229  135.000   0.11   0.17  -0.07  -0.01 
1 1 1   15   19    8 o   0.0000   2.5787  ?   ?    0.01   0.07  -0.03  -0.01 
1 1 1   15   20    0 o   5.2915   0.9748   0.2485 -126.8000  -0.00  -0.09   0.00   0.00 
1 1 1   15   20    1 o   10.384   0.4011   10.385 -143.9000   0.20  -1.59  -0.37   1.07 
1 1 1   15   20    2 o   7.7705   0.5255   4.4964 -29.4000   0.51   1.13  -0.09  -0.36 
1 1 1   15   20    3 o   8.5880   1.0887   9.3304 -74.8000   1.41  -3.99   0.86   0.18 
1 1 1   16    0    0 o   11.841   0.3922   10.202   0.6000  -0.01   0.00   0.00   0.00 
1 1 1   16    0    1 o   3.5071   0.7201   5.3799   90.500   0.00   0.02   0.00   0.00 
1 1 1   16    0    2 o   1.8708   0.9846   0.2827 -27.0000   0.04   0.00   0.00   0.00 
1 1 1   16    0    3 o   8.6081   0.3352   13.141 -89.4000   0.00   0.02   0.00   0.00 
1 1 1   16    0    4 f   17.880   0.2428   10.725   0.7000  -0.09   0.00   0.00   0.00 
1 1 1   16    0    5 o   8.9554   0.3387   19.908   90.600  -0.00  -0.12   0.00   0.00 
1 1 1   16    0    6 f   14.053   0.2688   11.451  -0.7000   0.33   0.00   0.00   0.00 
1 1 1   16    0    7 o   8.8657   0.3471   18.041 -89.9000   0.00   0.14   0.00   0.00 
1 1 1   16    0    8 o   14.014   0.2626   3.5310  178.700  -0.53   0.00   0.00   0.00 
1 1 1   16    0    9 o   11.393   0.2867   12.128   90.100   0.00   0.07   0.00   0.00 
1 1 1   16    0   10 o   8.5907   0.3142   1.7100 -177.2000   0.22   0.00   0.00   0.00 
1 1 1   16    0   11 o   4.6583   0.4750   2.8710 -89.3000  -0.00  -0.14   0.00   0.00 
1 1 1   16    0   12 o   2.0248   0.7387   7.0175  -0.1000   0.07   0.00   0.00   0.00 
1 1 1   16    0   13 o   11.866   0.1907   5.2038 -89.9000  -0.00  -0.13   0.00   0.00 
1 1 1   16    0   14 o   6.5955   0.8409   4.2341  -0.8000  -0.30   0.00   0.00   0.00 
1 1 1   16    0   15 o   32.159   0.4099   30.333   89.700   0.00   1.16   0.00   0.00 
1 1 1   16    0   16 o   0.0000   3.6332   0.1334 -35.1000   0.06   0.00   0.00   0.00 
1 1 1   16    0   17 o   16.041   0.5044   16.899 -89.9000  -0.00  -0.64   0.00   0.00 
1 1 1   16    0   18 o   17.114   0.4746   15.281   0.5000   0.06   0.00   0.00   0.00 
1 1 1   16    0   19 o   2.7019   1.6061   4.7235   89.600   0.00   0.02   0.00   0.00 
1 1 1   16    0   20 o   26.582   0.4621   25.224 -179.7000  -0.54   0.00   0.00   0.00 
1 1 1   16    0   21 o   25.474   0.4645   19.402   90.400   0.00   0.02   0.00   0.00 
1 1 1   16    1    0 o   5.9330   0.4746   6.3205   0.1000  -0.03   0.00   0.00   0.00 
1 1 1   16    1    1 o   15.161   0.6835   6.2814  101.600  -1.94   6.29   1.31   1.36 
1 1 1   16    1    2 o   11.529   0.2056   9.6846   93.000  -0.57  -0.60  -1.50  -0.56 
1 1 1   16    1    3 o   21.335   0.1738   15.209 -46.3000   0.91  -0.05   0.20  -1.12 
1 1 1   16    1    4 o   8.6726   1.0503   4.5127 -50.1000  10.30  -3.78  -1.54   1.54 
1 1 1   16    1    5 o   13.374   0.1946   11.751   96.300  -0.75   0.92   1.16   0.61 
1 1 1   16    1    6 o   10.277   0.2384   14.036 -95.7000   0.24  -0.34  -0.76   0.10 
1 1 1   16    1    7 o   7.8225   0.2772   10.104 -179.7000   1.15   1.61   0.04  -0.87 
1 1 1   16    1    8 o   3.2696   1.4620   4.1826 -159.4000  -1.76  -0.56  -0.18  -0.11 
1 1 1   16    1    9 o   14.968   0.1747   17.572  -4.2000   1.29  -1.09   8.01   1.82 
1 1 1   16    1   10 o   12.738   0.4778   12.113  10.0000   7.32   0.23  -2.03   0.14 
1 1 1   16    1   11 o   2.8600   1.0371   3.0828   87.200  -0.69   2.33   0.38   0.21 
1 1 1   16    1   12 o   10.373   0.1793   10.768 -138.1000  -0.03  -0.06  -0.02   0.05 
1 1 1   16    1   13 o   5.6523   0.3745   4.1834   89.100   1.58   4.29   1.55  -1.80 
1 1 1   16    1   14 o   4.4952   0.4180   5.7751   84.800   2.60  -0.52  -2.51   0.29 
1 1 1   16    1   15 f   9.1346   0.2084   6.9760   34.000   1.46  -1.97   4.52   3.50 
1 1 1   16    1   16 o   10.028   0.4714   7.8538 -127.6000  -0.07   0.69  -1.68  -0.29 
1 1 1   16    1   17 o   11.886   0.4256   14.356 -142.1000  -0.11  -0.19  -0.01   0.11 
1 1 1   16    1   18 o   5.5856   1.0637   2.0561   87.800   0.77  -0.11  -0.06  -0.00 
1 1 1   16    1   19 o   7.5008   0.6826   8.1786   64.500  -0.23   1.24   0.32  -0.09 
1 1 1   16    1   20 o   4.7355   0.9674   4.1582 -22.0000   0.36  -0.30  -0.26  -0.03 
1 1 1   16    1   21 o   7.3399   0.7534   6.5233 -91.1000   0.44   0.00  -0.03  -0.03 
1 1 1   16    2    0 o   0.0000   2.4495   1.7183 -178.4000  -0.03   0.00   0.00   0.00 
1 1 1   16    2    1 o   4.5553   0.4991   3.8444   15.000   0.32  -2.38   0.79   0.08 
1 1 1   16    2    2 o   6.4074   0.6044   4.6877 -123.1000   1.49   0.53  -0.13  -0.08 
1 1 1   16    2    3 o   3.4066   0.5224   5.5524 -52.1000  -0.02   0.03   0.01   0.00 
1 1 1   16    2    4 o   9.6893   0.5772   10.868  -4.2000   3.50  -0.29  -0.66   0.00 
1 1 1   16    2    5 o   15.619   0.5018   19.246   78.000   4.55  -1.80  -0.83   0.51 
1 1 1   16    2    6 o   18.550   0.2528   17.851   37.500  -2.23   5.06   1.11   2.98 
1 1 1   16    2    7 o   7.7036   0.7220   13.658 -134.9000  -1.28  -1.77   0.07  -0.17 
1 1 1   16    2    8 o   15.511   0.7437   12.948 -112.3000   8.56 -14.92   2.84   6.78 
1 1 1   16    2    9 o   10.395   0.3416   9.7691   94.000  -1.92   0.38  -0.79   0.09 
1 1 1   16    2   10 o   16.609   0.8848   9.5604  123.100  -3.64   9.87   1.46   1.60 
1 1 1   16    2   11 o   20.290   0.2857   13.490 -35.3000   2.16   0.80  -0.44  -1.66 
1 1 1   16    2   12 o   6.3196   0.3975   4.6795   51.700   0.14  -1.14   0.32  -0.01 
1 1 1   16    2   13 o   0.0000   1.9103  ?   ?    0.00  -0.25   0.08   0.03 
1 1 1   16    2   14 f   7.9295   1.2618   8.0533 -63.6000   4.93 -14.10   2.56   2.40 
1 1 1   16    2   15 o   23.311   0.4867   19.995   96.600  -2.07   2.37  -3.84   3.05 
1 1 1   16    2   16 o   14.143   1.0410   14.793  102.500   1.92   9.84   1.34  -0.39 
1 1 1   16    2   17 o   7.7045   1.0397   9.4928 -54.3000   9.08   5.69  -0.88  -2.42 
1 1 1   16    2   18 o   17.534   0.2010   15.767  -8.5000   0.44   1.44   1.43   1.31 
1 1 1   16    2   19 o   7.3291   0.2982   3.3212   84.200   0.70  -0.27  -0.09   0.36 
1 1 1   16    2   20 o   19.228   0.2221   18.657  174.600   0.52  -2.77   0.51   0.59 
1 1 1   16    2   21 o   13.347   0.2359   18.184   78.200  -0.12   0.12   0.00  -0.05 
1 1 1   16    3    0 o   5.4129   0.5658   5.3572 -179.7000  -0.07   0.00   0.00   0.00 
1 1 1   16    3    1 o   15.977   0.9652   9.8706   85.100  -8.44  10.09   0.13   2.34 
1 1 1   16    3    2 o   5.4957   0.4511   7.7018   46.600   1.95  -0.06  -0.45  -0.04 
1 1 1   16    3    3 o   11.477   0.2188   10.555 -140.3000   1.15  -0.86  -0.82   0.70 
1 1 1   16    3    4 o   4.1539   0.4582   3.0023  107.200  -2.11   1.35  -1.51   1.77 
1 1 1   16    3    5 o   13.630   0.2381   9.5766   44.800   0.46  -0.72   0.00   0.14 
1 1 1   16    3    6 o   14.442   0.2861   17.007 -123.4000  -3.26   1.61  -0.55   3.40 
1 1 1   16    3    7 o   18.551   0.5401   16.230  161.300  -9.54  -4.25  -2.27  -3.88 
1 1 1   16    3    8 o   4.4906   0.5859   3.9776   80.100   0.08  -0.23   0.00   0.00 
1 1 1   16    3    9 o   19.380   0.2727   20.888 -27.3000   1.32   0.82   0.25  -1.02 
1 1 1   16    3   10 o   10.812   0.5721   6.5726   20.800   8.74  -4.21  -1.11   1.67 
1 1 1   16    3   11 o   15.568   0.2261   10.161  137.300  -1.45  -0.44  -0.46  -0.07 
1 1 1   16    3   12 o   7.5026   0.3969   9.8253 -131.9000   0.21   0.21   0.01  -0.03 
1 1 1   16    3   13 o   1.2280   0.9780   1.7355  132.700   0.37   1.15   0.32  -0.36 
1 1 1   16    3   14 o   9.2176   0.7847   6.0295   80.900   3.17   0.51  -0.39  -0.20 
1 1 1   16    3   15 o   5.6248   0.9544   5.9384   64.600  -0.67   5.71   1.35   0.49 
1 1 1   16    3   16 o   14.916   1.2713   12.945 -147.9000 -21.21  -3.06  -4.65  -1.89 
1 1 1   16    3   17 o   19.940   0.5613   18.186 -87.6000   2.97  -2.38  -0.79   0.98 
1 1 1   16    3   18 f   6.1119   0.4100   3.6841  179.200   0.20  -0.28   0.03   0.03 
1 1 1   16    3   19 o   17.862   0.2315   17.303   83.600   3.17   1.22  -0.86  -0.27 
1 1 1   16    3   20 o   11.278   0.4937   10.490   17.800   2.98   0.13  -1.08  -0.76 
1 1 1   16    3   21 o   10.399   0.3206   8.0962 -74.3000   0.51  -0.44  -0.44  -0.74 
1 1 1   16    4    0 o   2.6077   0.8982   3.2988  -0.2000   0.02   0.00   0.00   0.00 
1 1 1   16    4    1 o   10.080   0.2294   17.433  -5.6000   0.25  -0.05   0.06  -0.37 
1 1 1   16    4    2 o   12.713   0.9513   15.759 -145.2000  -5.82  -4.32  -0.17  -0.98 
1 1 1   16    4    3 o   4.1381   0.4683   3.5937   34.100   0.39   0.57   0.01  -0.27 
1 1 1   16    4    4 o   3.3078   1.1474   6.6595 -17.0000  -1.82  -0.49  -0.23  -0.11 
1 1 1   16    4    5 f   9.6587   0.2362   10.252   79.300   0.14  -0.19   0.16   0.00 
1 1 1   16    4    6 o   22.783   0.2564   21.671   46.500   3.79  -0.44  -1.46   1.19 
1 1 1   16    4    7 o   8.0458   0.2505   12.696 -126.6000   0.16  -0.01  -0.05  -0.18 
1 1 1   16    4    8 o   9.7961   1.0151   7.8774 -118.5000   6.65 -16.67   3.18   3.45 
1 1 1   16    4    9 o   13.831   0.1750   19.231   68.900   1.37   0.12  -1.07   0.48 
1 1 1   16    4   10 o   22.981   0.8290   19.486  121.600  -7.36   6.74  -0.63   2.23 
1 1 1   16    4   11 o   16.702   0.2330   17.474 -80.8000   0.04  -0.35  -0.12  -0.35 
1 1 1   16    4   12 o   12.352   0.3065   10.828 -35.3000   2.60  -2.06  -0.02   0.63 
1 1 1   16    4   13 o   19.707   0.3507   14.741   44.300   0.18  -0.20  -0.09  -0.10 
1 1 1   16    4   14 o   7.6303   0.6187   5.2755 -55.2000   1.47  -2.88   0.36   0.82 
1 1 1   16    4   15 o   12.544   0.6571   10.986  169.500  -3.82  -1.66  -0.67  -1.22 
1 1 1   16    4   16 o   16.880   0.2357   17.903  104.000  -0.75   2.92   0.83   0.14 
1 1 1   16    4   17 o   10.969   1.2776   6.3599 -28.5000   1.97  -4.26   0.19   0.28 
1 1 1   16    4   18 o   15.533   0.4868   15.587 -28.2000   7.76  -7.86   1.25   4.44 
1 1 1   16    4   19 o   7.0196   0.4279   4.7016  126.700   0.31   0.05  -0.08   0.25 
1 1 1   16    4   20 o   9.0551   1.2430   9.4928  134.800  -4.89   5.30   0.22   0.88 
1 1 1   16    5    0 o   6.9426   0.4203   12.394  179.200  -0.17   0.00   0.00   0.00 
1 1 1   16    5    1 o   17.455   0.4744   18.964 -27.8000  -0.92  -3.46   0.30  -0.27 
1 1 1   16    5    2 o   11.336   0.5952   8.6604   40.700  -6.30   0.59  -1.34   0.47 
1 1 1   16    5    3 o   5.6156   0.7251   7.9935  113.200  -0.54   3.03   0.51   0.12 
1 1 1   16    5    4 o   15.287   0.9207   10.886 -114.8000  12.87 -14.78   1.66   6.50 
1 1 1   16    5    5 o   3.1536   1.4246   5.9857 -55.7000  -0.50  -3.16   0.51  -0.19 
1 1 1   16    5    6 o   18.577   1.5301   12.744  149.100 -25.69  24.02   0.16   8.68 
1 1 1   16    5    7 o   9.9470   0.2559   4.9303   68.000   1.59   0.46  -1.26  -0.18 
1 1 1   16    5    8 f   14.179   0.4814   8.6263   9.5000   1.65  -0.06  -0.19   0.05 
1 1 1   16    5    9 o   10.696   0.7318   10.071 -72.0000  16.12  -4.85  -6.28   3.31 
1 1 1   16    5   10 o   13.461   0.6523   6.5816  106.300  -6.13   4.15  -1.28   2.03 
1 1 1   16    5   11 o   17.476   1.4469   10.354  112.400 -11.79  20.03   1.60   3.63 
1 1 1   16    5   12 o   6.3296   0.5243   7.8328 -96.3000   0.93  -1.17  -0.02   0.39 
1 1 1   16    5   13 o   5.5382   0.5753   5.2761 -150.6000   0.31  -1.67   0.38   0.28 
1 1 1   16    5   14 o   12.393   0.6316   7.8554   58.200   2.95  -0.35  -0.81  -0.03 
1 1 1   16    5   15 o   4.8184   0.5443   5.2122 -61.8000   0.08  -0.23  -0.10  -0.55 
1 1 1   16    5   16 f   1.0421   1.0601   4.1575 -123.1000  -0.46  -0.05  -0.14  -0.09 
1 1 1   16    5   17 o   13.303   0.2803   13.930 -25.2000   0.53  -0.80  -0.07   0.26 
1 1 1   16    5   18 o   9.8143   0.4173   6.4099 -172.6000  -1.16   2.48   0.30   0.91 
1 1 1   16    5   19 o   19.982   0.2367   18.847   78.400  -2.70   2.55  -3.56   2.07 
1 1 1   16    5   20 o   13.213   0.6042   13.162   8.2000   2.78  -0.92  -0.89   0.09 
1 1 1   16    6    0 o   14.495   0.3073   10.388  -0.1000   0.28   0.00   0.00   0.00 
1 1 1   16    6    1 o   10.686   0.8181   8.6252 -54.9000  -0.01 -10.54   2.45   0.23 
1 1 1   16    6    2 o   14.344   0.8489   15.684 -145.7000  -6.85  -6.34   0.05  -1.59 
1 1 1   16    6    3 o   6.1040   0.3438   6.6612   80.100  -0.62  -0.36  -0.00  -0.62 
1 1 1   16    6    4 f   5.1375   0.3977   7.7207   80.600   0.77   0.32  -0.18  -0.40 
1 1 1   16    6    5 f   4.3925   0.4477   5.4706 -177.8000   0.14   2.36   1.15   0.07 
1 1 1   16    6    6 o   7.2381   0.2940   12.278   57.400   0.30   0.34   0.40  -0.31 
1 1 1   16    6    7 o   10.844   0.3087   8.1985 -80.5000   2.92  -0.98  -0.62   0.32 
1 1 1   16    6    8 o   4.7601   0.3605   2.3435 -73.8000  -0.14   0.36   0.86  -0.24 
1 1 1   16    6    9 o   12.260   0.9474   9.3773   77.400   5.10  19.94   3.51  -2.23 
1 1 1   16    6   10 o   8.7425   0.3632   9.5788  130.300   0.61   0.40  -0.02  -0.08 
1 1 1   16    6   11 o   12.282   0.7126   10.914 -101.5000  -0.65  -3.52   0.62  -0.09 
1 1 1   16    6   12 f   11.523   0.3932   15.134 -32.8000   0.69  -4.45   1.01   0.10 
1 1 1   16    6   13 o   12.298   0.5871   13.774   18.500   1.74   6.16   3.59  -0.91 
1 1 1   16    6   14 o   6.3886   0.5173   4.3315   28.300  -0.42   0.33  -0.00   0.03 
1 1 1   16    6   15 o   15.466   0.2533   14.269 -164.2000  -1.94   4.01   1.95   1.16 
1 1 1   16    6   16 o   5.5677   1.7343   6.3334  107.600  -1.15   5.22   0.79   0.28 
1 1 1   16    6   17 f   18.963   1.0080   10.379 -77.0000  -0.01  -9.85   2.05   0.50 
1 1 1   16    6   18 o   11.745   0.5085   10.898 -38.9000   5.92  -5.41   1.21   4.73 
1 1 1   16    6   19 o   13.919   1.0239   13.704   87.600   1.20   6.82   1.38  -0.08 
1 1 1   16    6   20 o   7.6972   0.9244   7.4207  164.300  -3.44   1.14  -0.37   0.51 
1 1 1   16    7    0 o   0.0000   2.6077   6.7154 -179.9000  -0.04   0.00   0.00   0.00 
1 1 1   16    7    1 o   16.162   0.4885   20.800 -35.9000   5.11  -1.23  -1.31   0.35 
1 1 1   16    7    2 o   3.0565   0.7806   7.4693   21.000   0.24  -0.42   0.02   0.03 
1 1 1   16    7    3 o   9.8918   0.5307   8.4936   68.100   5.64   2.77  -1.58  -1.52 
1 1 1   16    7    4 o   12.019   1.3459   3.9352 -52.0000  10.85 -27.44   5.35   4.42 
1 1 1   16    7    5 o   13.218   0.2814   8.7695  165.900  -0.53  -1.60   0.50  -1.20 
1 1 1   16    7    6 o   11.095   1.1125   8.4026  104.400  -6.87  19.10   5.44   3.77 
1 1 1   16    7    7 o   11.210   0.6757   11.253 -20.7000  -1.13  -0.59  -0.04  -0.04 
1 1 1   16    7    8 o   3.5457   0.4861   1.9545 -71.9000  -0.23  -0.44   0.03  -0.08 
1 1 1   16    7    9 o   11.803   0.7521   7.8008 -118.1000 -23.39  12.30  -5.57   9.83 
1 1 1   16    7   10 o   12.491   0.6291   9.1027   54.400  -6.45   8.06   0.25   3.94 
1 1 1   16    7   11 o   21.527   0.2334   21.342   76.600   8.23   0.97 -14.38   9.31 
1 1 1   16    7   12 f   9.2532   0.5734   11.308 -136.2000   2.11  -2.36  -0.19   1.02 
1 1 1   16    7   13 o   8.0906   0.3997   8.6952 -151.6000   0.79  -0.42  -0.24   0.14 
1 1 1   16    7   14 o   8.8625   0.4236   9.1154 -24.1000   0.99  -0.80  -0.16   0.25 
1 1 1   16    7   15 o   16.266   0.2496   10.371 -84.3000   1.34  -1.40  -0.88   0.88 
1 1 1   16    7   16 o   4.8030   0.6459   7.3912   72.400  -0.00   0.23   0.01  -0.16 
1 1 1   16    7   17 o   13.681   0.2995   12.844   25.700   0.04   0.34  -0.14  -0.13 
1 1 1   16    7   18 f   3.2771   0.9644   1.5479 -123.3000   0.14   0.64   0.09  -0.01 
1 1 1   16    7   19 o   16.643   0.8019   16.944   49.000   6.62   1.10  -1.44   0.09 
1 1 1   16    8    0 o   10.359   0.3364   7.6770   0.1000   0.15   0.00   0.00   0.00 
1 1 1   16    8    1 o   18.371   1.1655   18.486 -91.1000   0.26 -26.81   6.70   0.83 
1 1 1   16    8    2 o   10.105   0.5440   8.6009 -165.6000  -3.70  -3.01  -0.05  -1.34 
1 1 1   16    8    3 o   9.8761   0.2772   12.598  105.600  -1.74   1.79   0.28   0.96 
1 1 1   16    8    4 o   8.7944   0.2677   7.1145   63.400  -0.28  -0.17  -0.18  -0.05 
1 1 1   16    8    5 o   7.2020   0.3192   9.3313 -120.1000   0.82  -2.69   3.46   0.73 
1 1 1   16    8    6 o   10.149   0.2379   12.888  129.500   0.17  -0.50  -0.01  -2.05 
1 1 1   16    8    7 f   3.2730   0.9819   4.7341 -98.7000   0.20  -0.15  -0.00   0.01 
1 1 1   16    8    8 o   11.691   0.4607   10.643 -24.3000   6.00   0.83  -2.43  -0.21 
1 1 1   16    8    9 o   5.2225   0.3528   5.9067 -92.2000   0.32  -2.21   1.67   1.16 
1 1 1   16    8   10 f   9.7674   0.3295   3.0606 -162.1000   2.03  -1.32  -0.43   0.56 
1 1 1   16    8   11 o   9.4567   0.5040   10.017 -159.0000  -0.23  -0.81   0.08  -0.02 
1 1 1   16    8   12 f   4.4595   0.6376   2.4633 -43.5000   0.38   0.58   0.25  -0.18 
1 1 1   16    8   13 o   12.861   1.0680   14.248  -1.3000   4.51 -25.35   8.21   2.03 
1 1 1   16    8   14 o   10.185   0.3691   12.598   21.200   0.37  -0.17   0.00   0.07 
1 1 1   16    8   15 o   11.150   0.7272   13.236 -166.3000  -2.52   4.58   0.88   0.84 
1 1 1   16    8   16 o   7.5328   0.4222   8.6258 -162.0000  -0.50   0.07   0.05   0.42 
1 1 1   16    8   17 o   17.121   0.8561   10.618 -123.3000  -3.95  -7.41   1.13  -1.02 
1 1 1   16    8   18 o   8.1571   0.5115   7.9366 -49.6000   1.32  -0.45   0.10   0.79 
1 1 1   16    8   19 o   14.093   1.2333   12.813   80.000  -0.96  12.78   2.84   1.28 
1 1 1   16    9    0 o   5.1478   0.6277   3.4069  -0.3000  -0.16   0.00   0.00   0.00 
1 1 1   16    9    1 o   6.8107   0.4079   14.598 -41.0000   2.08  -2.05  -0.27   1.12 
1 1 1   16    9    2 o   7.7399   0.3105   13.758  -4.3000   1.04   0.04  -0.30   0.08 
1 1 1   16    9    3 o   6.6927   0.5644   7.7805  106.000  -5.70   1.04  -2.35   0.49 
1 1 1   16    9    4 o   7.6226   1.1662   4.9533   59.100   7.49  13.15   1.58  -2.32 
1 1 1   16    9    5 o   10.228   0.2468   6.7077 -167.6000  -0.21   0.13  -0.08  -0.44 
1 1 1   16    9    6 o   7.5679   0.5987   1.9210   82.800   2.21   6.90   2.35  -2.27 
1 1 1   16    9    7 o   13.964   0.5626   11.891 -26.1000   2.10  -2.66   0.25   0.50 
1 1 1   16    9    8 o   9.1690   0.3660   11.692 -116.0000  -1.37  -1.93   0.06  -0.70 
1 1 1   16    9    9 o   8.5020   0.8704   4.2900 -103.6000  11.64  -5.28  -2.47   2.31 
1 1 1   16    9   10 o   8.6319   0.2395   8.3438   54.400  -0.41   1.16   0.29   0.61 
1 1 1   16    9   11 f   18.021   0.1764   21.491   89.400  -1.24   2.03 -14.89  -1.41 
1 1 1   16    9   12 o   10.490   0.3426   8.4828 -107.3000   0.50  -0.62  -0.24   0.36 
1 1 1   16    9   13 o   11.511   0.7751   12.817 -122.7000  -5.95  -3.67  -0.97  -1.22 
1 1 1   16    9   14 o   9.4023   0.3905   4.7673 -38.5000   0.76  -0.15  -0.08   0.09 
1 1 1   16    9   15 o   4.2016   1.0014   4.2380 -121.0000   1.55  -2.02   0.01   0.55 
1 1 1   16    9   16 o   12.153   0.3591   9.7418   95.200   0.31   0.33   0.02  -0.02 
1 1 1   16    9   17 o   8.4239   0.4740   10.686   74.100   0.65   0.24  -0.27   0.32 
1 1 1   16    9   18 o   0.0000   2.5512  ?   ?    0.12  -0.09   0.11  -0.11 
1 1 1   16   10    0 o   0.0000   2.6458   6.2875  -1.1000   0.07   0.00   0.00   0.00 
1 1 1   16   10    1 o   14.349   0.6383   6.4721 -29.0000   7.22   6.18  -0.54  -1.85 
1 1 1   16   10    2 o   6.8164   0.7198   5.9289  148.400  -2.62  -0.76  -0.29  -0.25 
1 1 1   16   10    3 o   12.384   0.7547   13.019  144.000 -11.63   4.35  -1.97   2.15 
1 1 1   16   10    4 o   10.481   0.2698   8.8883 -51.4000  -0.12  -1.78   0.87   0.25 
1 1 1   16   10    5 o   9.5388   0.4487   9.1892  146.100  -2.91   3.14  -0.12   1.06 
1 1 1   16   10    6 o   9.5039   0.2715   9.4877  141.200   0.93   0.44  -0.08  -0.27 
1 1 1   16   10    7 o   10.885   0.3707   13.438 -63.8000   2.60  -3.13   0.63   1.33 
1 1 1   16   10    8 o   11.253   0.2401   10.191   2.1000  -0.63   1.26  -0.52   1.89 
1 1 1   16   10    9 o   4.0435   0.4995   5.4573  145.700   0.10  -0.29  -0.20   0.49 
1 1 1   16   10   10 o   10.975   0.7199   4.6117 -158.6000   1.34 -10.84   2.48   0.92 
1 1 1   16   10   11 o   12.311   0.4775   14.212 -134.3000  -1.51  -0.27  -0.12  -0.07 
1 1 1   16   10   12 o   16.080   0.4248   11.144  121.900  -0.52  -0.96   0.09  -0.06 
1 1 1   16   10   13 o   24.704   0.4458   23.494  -1.7000   5.22  -5.70   2.17   2.93 
1 1 1   16   10   14 o   7.2502   0.7299   6.7974  -2.3000   0.83  -0.80   0.03   0.11 
1 1 1   16   10   15 o   11.150   0.8630   10.659 -149.1000  -3.57   2.64  -0.04   0.60 
1 1 1   16   10   16 o   3.1555   0.9067   1.3193 -177.8000  -0.13  -0.03  -0.02   0.01 
1 1 1   16   10   17 o   6.4054   1.1508   10.271 -151.5000  -0.13  -2.18   0.28   0.06 
1 1 1   16   11    0 o   13.100   0.3312   11.266  -0.3000  -0.04   0.00   0.00   0.00 
1 1 1   16   11    1 o   10.687   0.2864   8.0002 -33.8000  -0.67  -2.08   0.69  -0.19 
1 1 1   16   11    2 o   7.8617   0.3436   8.0375   57.600   0.37   0.04  -0.04  -0.03 
1 1 1   16   11    3 o   11.863   0.3743   11.031  143.600   0.12  -3.07   0.84  -0.19 
1 1 1   16   11    4 f   4.4818   0.5413   1.0205  168.300   1.57   0.10  -0.55  -0.27 
1 1 1   16   11    5 o   6.8498   0.4585   4.9725 -95.8000  -0.25  -1.25   0.16  -0.03 
1 1 1   16   11    6 o   5.6770   0.7744   6.6484   91.900   4.57   2.18  -1.07  -0.97 
1 1 1   16   11    7 o   16.599   0.8372   17.260 -15.0000   2.03  -9.68   1.09   0.33 
1 1 1   16   11    8 o   8.0495   0.5738   13.964 -91.8000  -2.88  -1.69  -0.32  -0.41 
1 1 1   16   11    9 o   9.2627   0.2801   7.1793   85.400  -3.13   0.16  -1.55   0.68 
1 1 1   16   11   10 o   5.4446   0.4402   5.9867  169.800   1.34  -0.52  -0.27   0.15 
1 1 1   16   11   11 o   4.2392   0.8339   6.0393  172.500  -4.19  -0.83  -0.81  -0.45 
1 1 1   16   11   12 o   7.7798   0.2620   3.0457 -12.8000   0.62  -0.19  -0.09   0.18 
1 1 1   16   11   13 o   8.0590   0.7654   5.6020 -62.9000   0.29  -5.52   1.45  -0.16 
1 1 1   16   11   14 o   11.551   0.8339   10.820  173.100  -5.47   1.73  -1.37   0.45 
1 1 1   16   11   15 o   1.7194   1.1970   4.1899 -122.3000  -0.79   0.55  -0.00   0.21 
1 1 1   16   11   16 o   4.0642   0.8878   2.3244   39.900   0.04  -0.38  -0.10   0.17 
1 1 1   16   12    0 o   4.1110   0.8343   3.7585   1.1000   0.19   0.00   0.00   0.00 
1 1 1   16   12    1 o   14.386   0.2332   14.103   23.500   0.92   0.42   1.87   2.38 
1 1 1   16   12    2 o   0.9760   0.9877   5.9085   47.900  -0.06   0.09   0.09  -0.05 
1 1 1   16   12    3 o   10.207   0.6629   13.169  138.900  -6.59  -1.91  -1.67  -0.67 
1 1 1   16   12    4 o   10.231   0.2886   2.4938 -97.4000  -0.98   0.84   2.16   1.45 
1 1 1   16   12    5 o   15.920   0.2115   11.934  149.800  -3.57  -1.95   0.22  -5.02 
1 1 1   16   12    6 o   5.2555   0.4960   5.5894   39.000  -0.02  -0.15   0.01  -0.01 
1 1 1   16   12    7 o   13.590   0.2775   15.377 -34.2000   0.47  -3.34   1.22  -0.05 
1 1 1   16   12    8 o   10.766   0.2621   8.3255 -27.4000   0.59  -4.54   3.39  -0.31 
1 1 1   16   12    9 o   10.992   0.3513   10.936  146.700  -1.98   1.61   0.08   0.63 
1 1 1   16   12   10 o   5.9810   0.9118   1.9361 -55.1000   0.34  -6.20   1.41   0.37 
1 1 1   16   12   11 o   11.033   0.2470   6.1217 -153.9000  -0.79  -0.65   0.80  -0.64 
1 1 1   16   12   12 f   13.930   0.2077   8.5729   78.900  -0.53   2.88   1.01  -0.08 
1 1 1   16   12   13 f   20.671   0.1896   19.838 -11.3000   1.02  -0.11   0.00   0.51 
1 1 1   16   12   14 f   9.5385   0.9887   8.2359 -82.4000  -3.29 -13.92   2.58  -1.77 
1 1 1   16   12   15 o   14.783   0.4831   12.652 -126.3000  -2.32  -1.32  -0.36  -0.19 
1 1 1   16   13    0 o   3.9370   0.8414   3.6815   1.6000   0.09   0.00   0.00   0.00 
1 1 1   16   13    1 o   9.0155   0.6929   6.7990   18.500   1.76   3.80   0.33  -0.56 
1 1 1   16   13    2 o   4.3105   0.6057   0.8834   68.600  -0.67   0.31  -0.05   0.16 
1 1 1   16   13    3 o   12.720   0.7009   15.379  153.800 -10.38  -0.54  -2.25   0.09 
1 1 1   16   13    4 o   6.0603   0.4590   6.3563 -128.6000   0.03   0.20   0.01  -0.01 
1 1 1   16   13    5 o   7.2244   0.3852   5.9763 -127.6000  -0.41  -0.20  -0.01  -0.03 
1 1 1   16   13    6 o   9.4883   0.8650   8.9309  133.000  -8.60   4.47  -1.81   1.83 
1 1 1   16   13    7 o   11.002   0.2776   14.529   22.300  -0.32   1.26   0.20   0.37 
1 1 1   16   13    8 o   11.350   0.3784   8.2473 -50.3000   0.76  -0.37  -0.09   0.05 
1 1 1   16   13    9 o   10.137   0.4769   8.7142  104.300  -2.69   2.92   0.45   1.13 
1 1 1   16   13   10 o   14.189   0.5077   13.666 -151.2000  -6.46   2.56  -1.07   1.86 
1 1 1   16   13   11 f   10.468   0.2777   8.0229 -161.8000   0.00  -0.09   0.00   0.01 
1 1 1   16   13   12 o   13.042   0.2343   7.7483   67.800   3.09   0.90  -1.25  -0.14 
1 1 1   16   13   13 o   10.232   0.2847   7.7056   35.200   0.18   1.80   0.72   0.44 
1 1 1   16   13   14 o   15.058   0.6572   13.139 -159.9000  -8.16   2.42  -1.94   0.52 
1 1 1   16   14    0 o   2.6077   1.1422   4.8280  -0.8000   0.12   0.00   0.00   0.00 
1 1 1   16   14    1 o   15.676   0.2316   14.793   1.0000   1.33   2.20   1.99  -0.46 
1 1 1   16   14    2 o   2.7963   0.7977   6.7366 -19.0000  -0.07   0.21   0.12  -0.09 
1 1 1   16   14    3 o   15.712   0.2335   10.974  130.200  -0.50  -1.31  -0.03  -0.66 
1 1 1   16   14    4 o   6.9166   0.4205   4.3892  164.400  -0.17  -0.23   0.14   0.01 
1 1 1   16   14    5 o   7.9034   0.3828   9.6760 -167.0000  -1.85  -2.16   2.60  -2.30 
1 1 1   16   14    6 o   4.3122   0.8741   3.6623  103.500  -0.09  -0.21   0.00  -0.00 
1 1 1   16   14    7 o   4.5100   0.6083   3.7639 -28.0000   0.76   0.31   0.24  -0.89 
1 1 1   16   14    8 o   12.060   1.0710   10.297 -67.3000   1.94 -18.50   3.72   0.26 
1 1 1   16   14    9 f   4.5167   0.5618   3.6237 -131.4000   0.27   0.85   0.13  -0.03 
1 1 1   16   14   10 f   5.4695   0.5018   6.6633  160.000  -0.42   0.69   0.41   0.12 
1 1 1   16   14   11 o   13.572   0.2442   11.814  124.600  -1.78  -0.72   0.18  -0.98 
1 1 1   16   14   12 o   7.2600   0.3943   4.7119   68.700  -0.05   0.73   0.19  -0.36 
1 1 1   16   15    0 o   7.9875   0.5548   0.6852 -168.0000   0.27   0.00   0.00   0.00 
1 1 1   16   15    1 o   11.692   0.3985   10.006   10.200   1.70   0.93  -0.39  -0.23 
1 1 1   16   15    2 o   2.3875   0.9194   2.7240   37.900  -0.09  -0.16   0.09   0.15 
1 1 1   16   15    3 o   14.668   0.6604   12.841  150.100  -6.16   2.04  -0.90   1.27 
1 1 1   16   15    4 o   5.7792   0.5164   6.8584 -148.8000  -0.15  -0.14   0.09   0.03 
1 1 1   16   15    5 o   7.1266   0.4276   8.4986 -104.3000  -0.20   0.76   0.06   0.35 
1 1 1   16   15    6 o   0.0000   2.1898  ?   ?   -0.07   0.29   0.05   0.07 
1 1 1   16   15    7 o   9.2463   0.3698   10.913   58.400   0.21   0.46  -0.02   0.53 
1 1 1   16   15    8 o   5.6436   0.5277   6.4752 -15.3000  -0.20   0.41   0.07   0.02 
1 1 1   16   15    9 o   0.0000   2.2271  ?   ?   -0.19   0.11   0.26   0.09 
1 1 1   16   15   10 o   14.281   0.4701   16.197 -152.7000  -2.76  -1.07  -1.16   0.04 
1 1 1   16   15   11 o   6.5939   0.4837   6.7269  155.200   0.08  -0.53   0.10  -0.11 
1 1 1   16   16    0 o   4.9699   0.9199   0.4446   6.4000   0.13   0.00   0.00   0.00 
1 1 1   16   16    1 o   12.474   0.3010   9.4210  -6.2000   0.70  -0.04   0.47  -0.51 
1 1 1   16   16    2 o   0.0000   2.2455  ?   ?    0.04  -0.01  -0.00  -0.01 
1 1 1   16   16    3 o   9.3211   0.6504   9.4200   99.800  -1.52   4.38   0.64   1.02 
1 1 1   16   16    4 o   0.6530   1.0415   3.1786   40.900   0.41  -0.42   0.03   0.09 
1 1 1   16   16    5 o   2.3119   1.0864   3.4158  173.900   0.35   2.58   0.48  -0.28 
1 1 1   16   16    6 o   1.2957   1.0995   4.5124 -59.1000  -0.15  -0.15   0.05   0.14 
1 1 1   16   16    7 f   8.7090   1.1038   6.9398 -87.6000  -3.22  -5.45   0.24  -1.01 
1 1 1   16   16    8 o   0.0000   2.2856  ?   ?    0.05   0.10   0.00   0.00 
1 1 1   16   17    0 f   1.5492   1.4340   7.4621  -0.0000   0.14   0.00   0.00   0.00 
1 1 1   16   17    1 o   13.471   0.3575   10.117   16.900   1.33   0.37  -0.33   0.17 
1 1 1   16   17    2 o   9.2207   0.5864   11.694  105.500  -0.21   1.24   0.15  -0.04 
1 1 1   16   17    3 o   3.5414   1.6350   5.0984 -169.2000  -1.96   0.85  -0.15   0.24 
1 1 1   16   17    4 o   0.0000   2.3229  ?   ?   -0.31   0.09  -0.03   0.04 
1 1 1   17    0    1 f   13.330   0.2935   15.903 -90.5000   0.00   0.60   0.00   0.00 
1 1 1   17    0    2 o   16.495   0.2684   14.877  179.900  -0.10   0.00   0.00   0.00 
1 1 1   17    0    3 o   9.1597   0.3570   7.5748   88.900  -0.00  -0.02   0.00   0.00 
1 1 1   17    0    4 o   2.8810   0.8124   5.6089   1.0000   0.03   0.00   0.00   0.00 
1 1 1   17    0    5 o   7.1833   0.5060   6.9193 -91.3000  -0.00  -0.20   0.00   0.00 
1 1 1   17    0    6 o   3.7014   0.7226   6.8459  -0.1000   0.08   0.00   0.00   0.00 
1 1 1   17    0    7 o   4.6904   0.6169   5.2979   87.200   0.00   0.23   0.00   0.00 
1 1 1   17    0    8 f   10.223   0.3452   11.058  179.600  -0.19   0.00   0.00   0.00 
1 1 1   17    0    9 o   2.7203   0.8175   7.3790 -91.6000  -0.00  -0.02   0.00   0.00 
1 1 1   17    0   10 f   3.6056   0.6974   11.280  179.800  -0.06   0.00   0.00   0.00 
1 1 1   17    0   11 o   0.0000   2.3664   1.5421 -95.6000  -0.00  -0.03   0.00   0.00 
1 1 1   17    0   12 o   7.1833   0.3513   0.2721   55.500   0.17   0.00   0.00   0.00 
1 1 1   17    0   13 o   19.162   0.2014   17.888   89.500   0.00   0.54   0.00   0.00 
1 1 1   17    0   14 f   8.8204   0.7928   2.3379  -1.1000   0.00   0.00   0.00   0.00 
1 1 1   17    0   15 o   9.2628   0.7608   5.7573 -90.1000   0.00   0.24   0.00   0.00 
1 1 1   17    0   16 o   0.0000   3.8987   4.4726  -1.2000   0.07   0.00   0.00   0.00 
1 1 1   17    0   17 o   3.8210   1.4786   9.7956 -89.5000  -0.00  -0.20   0.00   0.00 
1 1 1   17    1    0 o   25.585   0.2535   12.736 -89.7000  -0.00  -0.22   0.00   0.00 
1 1 1   17    1    1 o   7.0224   0.5270   5.5622   23.600  -2.15   2.32   0.20   0.77 
1 1 1   17    1    2 o   5.6883   0.3760   2.4181   41.000   0.29  -0.03  -0.08  -0.03 
1 1 1   17    1    3 o   9.1270   0.2584   9.1083 -134.1000   1.06  -1.66   2.30   1.36 
1 1 1   17    1    4 o   11.043   0.2274   10.175 -73.9000   0.76   1.05  -4.18  -1.94 
1 1 1   17    1    5 o   21.658   0.9294   23.413  158.600  -8.09  22.95   8.69   4.67 
1 1 1   17    1    6 o   4.4135   1.1148   8.3145 -107.1000  -4.08  -1.95  -0.60  -0.61 
1 1 1   17    1    7 o   17.851   0.9204   11.265 -56.1000  -1.30 -18.05   3.94  -1.12 
1 1 1   17    1    8 f   8.7839   0.2714   6.6603   60.900  -0.08  -0.35  -0.22  -0.53 
1 1 1   17    1    9 o   12.280   0.2402   8.4148  107.200  -0.19  -0.01  -0.01  -0.00 
1 1 1   17    1   10 o   4.3758   0.4345   6.9938   99.600  -1.23   0.58  -1.35   0.65 
1 1 1   17    1   11 o   13.412   0.6864   11.978 -57.7000   0.02  -6.78   1.82   0.39 
1 1 1   17    1   12 o   15.273   0.1670   16.650 -87.7000  -0.81   0.40   0.01   0.28 
1 1 1   17    1   13 f   15.054   0.9726   18.141  164.800  -0.83   1.64   0.04   0.09 
1 1 1   17    1   14 o   3.7270   0.5330   3.6244  110.600   0.39   0.28   0.01  -0.10 
1 1 1   17    1   15 o   11.426   0.2189   10.054 -53.8000   0.42  -1.36   1.59  -0.57 
1 1 1   17    1   16 o   3.1095   1.0986   6.5250 -99.1000  -0.14  -0.17   0.03  -0.01 
1 1 1   17    1   17 o   4.8425   0.9569   4.5926  111.300   0.24   0.93   0.06  -0.26 
1 1 1   17    2    0 o   0.9487   1.1156   8.8351   91.300   0.00   0.01   0.00   0.00 
1 1 1   17    2    1 o   9.0990   0.6318   11.690 -123.5000  -7.72  -0.49  -2.35  -0.66 
1 1 1   17    2    2 o   19.252   0.2939   17.601 -148.2000  -2.67   3.15   0.78   1.29 
1 1 1   17    2    3 o   1.8299   0.8161   1.2467 -48.7000  -0.26  -0.21  -0.05  -0.08 
1 1 1   17    2    4 o   12.844   0.3784   11.761   31.400   2.42   0.98  -0.73  -0.36 
1 1 1   17    2    5 o   3.0151   0.6180   3.3352 -155.9000  -0.02  -0.21  -0.57  -0.37 
1 1 1   17    2    6 o   11.065   0.2230   10.059 -41.9000   0.05   0.23   0.08   0.09 
1 1 1   17    2    7 o   6.9091   1.0945   7.7155   87.000  11.27   4.90  -2.04  -1.86 
1 1 1   17    2    8 o   10.339   0.4412   10.533 -109.3000  -4.96  -0.29  -1.26   0.05 
1 1 1   17    2    9 o   10.791   0.2766   8.8810 -123.5000  -3.27   0.48  -1.28   0.80 
1 1 1   17    2   10 o   15.502   0.1939   13.819  121.400   2.64   1.67  -0.63  -0.70 
1 1 1   17    2   11 f   14.011   0.1703   6.3342 -26.7000  -1.13  -0.98  -0.88  -0.69 
1 1 1   17    2   12 o   12.325   0.2696   7.8827 -38.9000  -1.08  -2.03   0.10  -1.02 
1 1 1   17    2   13 o   20.133   0.2295   18.885  113.200   4.68   6.20  -0.19  -2.57 
1 1 1   17    2   14 o   14.260   0.2488   11.497   67.700  -1.93   3.24   1.01   0.81 
1 1 1   17    2   15 o   12.525   0.2881   16.524 -41.3000  -0.15  -0.05   0.06   0.04 
1 1 1   17    2   16 o   12.193   0.2600   14.300 -80.7000  -0.32  -1.11   0.08  -0.16 
1 1 1   17    2   17 o   0.0000   1.8812  ?   ?   -1.44  -0.20  -0.27  -0.03 
1 1 1   17    3    0 o   2.4290   0.9391   1.6934   85.500  -0.00  -0.04   0.00   0.00 
1 1 1   17    3    1 o   6.1918   1.1616   3.5838 -29.4000   8.32   2.73  -1.08  -0.93 
1 1 1   17    3    2 o   13.593   0.5477   13.424 -70.5000  -1.21  -4.50   0.86  -0.81 
1 1 1   17    3    3 o   5.1605   0.6568   2.8603  133.400  -3.42   2.45  -0.57   1.11 
1 1 1   17    3    4 o   8.4834   1.3009   9.1339   97.600   7.57   8.30   0.03  -1.40 
1 1 1   17    3    5 o   19.065   0.6420   19.855  141.000  -4.87   8.18   2.19   2.40 
1 1 1   17    3    6 o   11.682   0.3924   7.0909 -97.4000  -1.87  -0.98  -0.56  -0.41 
1 1 1   17    3    7 o   19.802   0.5011   13.769 -68.6000   1.50  -7.01   2.81   0.41 
1 1 1   17    3    8 f   11.779   0.2172   9.1144  108.100  -0.05   0.12   0.01   0.00 
1 1 1   17    3    9 o   15.953   0.3318   9.8897  100.000  -0.04   1.41   0.50   0.34 
1 1 1   17    3   10 o   8.6859   0.2288   8.3981   24.100   1.26   0.28  -0.27  -0.06 
1 1 1   17    3   11 o   18.048   1.0332   18.205 -78.0000   0.54  -8.76   1.74   0.65 
1 1 1   17    3   12 o   12.016   0.2748   13.902 -110.3000  -1.12   0.42   0.61   1.48 
1 1 1   17    3   13 o   17.844   0.3289   15.204  140.300   0.71   0.13  -0.01   0.55 
1 1 1   17    3   14 o   11.256   0.9033   7.1080  134.800   1.22   5.24   1.05  -0.25 
1 1 1   17    3   15 o   15.352   0.3846   12.851 -81.5000  -1.38  -8.46   1.67  -1.22 
1 1 1   17    3   16 o   3.3503   1.0415   2.9157 -80.8000   0.30   0.31  -0.01  -0.02 
1 1 1   17    4    0 o   6.9857   0.4685   1.5992   95.600   0.00   0.03   0.00   0.00 
1 1 1   17    4    1 f   6.5055   0.8839   7.5178 -156.2000  -1.53  -0.87  -0.04  -0.08 
1 1 1   17    4    2 o   10.356   0.2564   9.9765 -139.3000  -0.25  -0.31  -0.14  -0.14 
1 1 1   17    4    3 f   5.9894   0.3997   8.6440 -54.0000  -0.13  -0.15  -0.18  -0.03 
1 1 1   17    4    4 o   4.0081   0.5088   2.6062   58.600   0.06  -0.30   0.14  -0.05 
1 1 1   17    4    5 o   11.869   0.6006   13.362  129.700  -1.74   0.48  -0.12   0.11 
1 1 1   17    4    6 o   2.9592   0.6255   4.6703   28.700  -0.07  -0.03   0.07   0.05 
1 1 1   17    4    7 o   3.4881   0.8319   8.1814  -0.7000   2.89   0.77  -0.85  -0.35 
1 1 1   17    4    8 f   18.177   0.2349   11.710 -107.2000  -2.04  -2.28  -0.34  -1.14 
1 1 1   17    4    9 f   5.0400   0.6437   11.060 -171.4000  -5.36  -0.74  -1.63  -0.27 
1 1 1   17    4   10 f   14.336   0.1725   8.6439   93.300   2.85   2.62  -0.88  -1.71 
1 1 1   17    4   11 o   18.115   0.2439   11.125 -67.3000  -0.64  -3.47   0.78  -0.90 
1 1 1   17    4   12 o   15.300   0.2615   9.0402 -38.7000   0.07  -0.59   0.13  -0.19 
1 1 1   17    4   13 o   19.737   0.2435   18.683  110.500   6.48   4.50  -1.86  -2.05 
1 1 1   17    4   14 o   17.022   0.2539   18.814   52.200   0.89   2.78   0.29  -0.49 
1 1 1   17    4   15 o   24.407   0.6852   18.949 -34.6000   1.35  -1.48  -0.96  -1.65 
1 1 1   17    4   16 o   12.163   0.3821   12.254 -79.7000   4.39  -2.41  -0.23   0.84 
1 1 1   17    5    0 o   3.8730   0.7367   0.7417 -102.7000   0.00   0.05   0.00   0.00 
1 1 1   17    5    1 f   16.694   0.3136   11.601 -95.5000  -8.16  -2.30  -6.21  -1.23 
1 1 1   17    5    2 o   6.5816   1.0021   9.3990 -54.9000   1.72  -7.31   1.42   0.53 
1 1 1   17    5    3 f   23.206   0.2011   13.071   85.300  -1.28  -0.05   0.06  -1.19 
1 1 1   17    5    4 o   9.9307   0.4929   4.8179  143.100  -1.41   3.41   1.27   0.73 
1 1 1   17    5    5 o   19.532   0.1913   11.896 -169.9000  -1.02  -1.73   0.35  -0.28 
1 1 1   17    5    6 o   3.0894   0.6116   4.8171  173.700  -0.16   0.20   0.10   0.08 
1 1 1   17    5    7 o   6.6459   0.3166   5.9002 -33.2000  -0.05   0.73   0.53   0.56 
1 1 1   17    5    8 f   15.268   0.1881   10.810  179.900   0.33   0.37   0.60   0.14 
1 1 1   17    5    9 o   6.7927   0.5372   3.7814 -107.3000  -0.79  -3.84   0.70  -0.41 
1 1 1   17    5   10 o   24.783   0.2295   19.282   42.800   1.08   0.71   0.20  -0.32 
1 1 1   17    5   11 o   5.8769   1.6788   8.4153 -128.9000  -1.30  -5.33   0.76  -0.29 
1 1 1   17    5   12 f   12.890   0.5096   9.5249 -144.7000  -0.58  -2.47   1.52   0.31 
1 1 1   17    5   13 f   9.1172   0.5635   7.9260  113.600  -0.37   0.51  -0.02   0.07 
1 1 1   17    5   14 o   16.411   0.5158   12.326  112.800  -0.15   0.98   0.10   0.26 
1 1 1   17    5   15 o   11.023   0.7080   8.3320 -99.3000  -4.36 -10.86   1.65  -2.52 
1 1 1   17    5   16 o   4.6208   0.6881   4.0096   46.400  -0.22  -0.67   0.03  -0.20 
1 1 1   17    6    0 o   5.1672   0.6714   4.4456 -90.1000   0.00   0.01   0.00   0.00 
1 1 1   17    6    1 f   16.203   0.2816   5.2875 -115.5000  -0.25  -1.65   0.32  -0.32 
1 1 1   17    6    2 o   5.3724   0.4339   4.8894 -109.2000  -0.64   0.14  -0.20   0.00 
1 1 1   17    6    3 o   13.053   0.2187   3.8501   60.400  -0.18  -0.25   0.11   0.46 
1 1 1   17    6    4 o   5.7118   0.7424   5.4831 -142.9000  -1.75  -0.84  -0.16  -0.16 
1 1 1   17    6    5 o   14.488   0.2157   14.895  145.900  -3.51  -0.00  -0.95  -0.27 
1 1 1   17    6    6 o   4.7979   0.4330   5.8555  149.000   0.33   0.66   0.07  -0.33 
1 1 1   17    6    7 o   18.282   0.3939   14.178 -19.8000   2.47  -1.08   0.30   3.55 
1 1 1   17    6    8 f   7.6361   0.2808   11.045 -169.6000   1.13  -0.66   0.07   1.42 
1 1 1   17    6    9 o   13.540   0.5806   15.958  162.600  -9.49   1.32  -2.74   1.41 
1 1 1   17    6   10 o   6.7010   0.2774   8.7629  -7.4000  -0.10  -0.15   0.04  -0.01 
1 1 1   17    6   11 o   11.062   0.3343   8.1464 -53.1000   0.39   0.03  -0.06   0.07 
1 1 1   17    6   12 o   1.3020   1.1309   1.4002 -102.5000   0.30  -0.10  -0.14  -0.02 
1 1 1   17    6   13 o   12.020   0.3327   11.732  149.600   1.49   1.43  -2.21  -1.04 
1 1 1   17    6   14 o   14.979   0.2815   15.416   41.800  -0.06   0.02   0.00   0.00 
1 1 1   17    6   15 o   11.480   0.6325   9.1196   18.300   2.49   1.57   0.01  -0.71 
1 1 1   17    7    0 o   6.3325   0.5568   1.3381 -97.0000  -0.00  -0.02   0.00   0.00 
1 1 1   17    7    1 o   21.795   0.2036   15.936 -81.9000   7.50  -1.42  -7.89  -1.24 
1 1 1   17    7    2 o   11.127   0.2509   8.3803   42.900   1.26   4.45   4.47  -0.77 
1 1 1   17    7    3 o   17.220   0.1972   14.798   60.400  -0.38   0.12  -0.15  -0.20 
1 1 1   17    7    4 f   14.403   0.2158   10.143 -139.3000  -0.39  -0.46   0.87   0.79 
1 1 1   17    7    5 o   22.150   0.5599   18.702 -145.1000 -14.64  -3.39  -2.44  -1.73 
1 1 1   17    7    6 o   15.450   0.2034   13.821  132.100  -3.29  -2.95   0.44  -1.98 
1 1 1   17    7    7 o   11.667   0.2366   13.334 -11.6000   0.29  -0.34  -0.27   0.11 
1 1 1   17    7    8 o   13.955   0.2029   10.056 -143.6000   0.70   0.45   1.63   0.48 
1 1 1   17    7    9 o   10.309   1.1817   12.615 -114.3000 -17.93  -5.77  -2.94  -1.75 
1 1 1   17    7   10 f   22.884   0.4491   21.614   49.200   1.63   2.37   2.31  -0.35 
1 1 1   17    7   11 o   5.2907   0.6184   2.3507  132.300  -0.45   0.00   0.03  -0.43 
1 1 1   17    7   12 o   15.830   0.2852   17.680  176.100  -0.43   2.17   0.53  -0.09 
1 1 1   17    7   13 f   8.5419   0.4697   4.0488  138.800  -0.51  -0.29   0.02  -0.08 
1 1 1   17    7   14 o   1.0287   1.1703   5.3453  100.700   0.21   0.33  -0.03  -0.11 
1 1 1   17    8    0 o   7.3621   0.5012   8.3618   90.000   0.00   0.02   0.00   0.00 
1 1 1   17    8    1 o   24.057   0.3343   15.837 -100.9000   0.38  -3.10   1.08  -0.31 
1 1 1   17    8    2 o   11.197   0.4044   8.1884 -130.8000  -3.22  -2.00  -0.24  -1.03 
1 1 1   17    8    3 o   15.727   0.4347   14.006   91.700  -5.27   6.77   1.92   3.56 
1 1 1   17    8    4 o   7.9260   0.4571   3.7846   2.5000   4.28  -0.08  -1.29  -0.20 
1 1 1   17    8    5 o   12.729   0.3560   9.7566 -163.6000  -1.21   0.36  -0.08   0.03 
1 1 1   17    8    6 o   6.2078   0.3612   6.4650 -161.3000   0.02   0.05   0.00  -0.00 
1 1 1   17    8    7 o   15.112   0.2127   16.484 -15.4000   0.84   1.64   1.40  -0.12 
1 1 1   17    8    8 f   7.0666   0.3166   10.105  178.300  -0.50   0.22  -0.69  -1.22 
1 1 1   17    8    9 o   11.564   0.2309   13.828  165.500  -0.56  -0.02   0.76   0.70 
1 1 1   17    8   10 o   7.1847   0.2599   9.9307  -3.8000  -0.08  -0.28  -0.27  -0.30 
1 1 1   17    8   11 o   2.5429   0.9965   2.5244 -14.4000  -0.08   0.04   0.00  -0.04 
1 1 1   17    8   12 o   3.4873   1.5923   4.1196 -85.2000   1.30  -0.46  -0.22   0.09 
1 1 1   17    8   13 o   7.7851   0.5343   12.973 -157.0000   0.17   0.05  -0.00  -0.00 
1 1 1   17    8   14 o   6.1778   0.5867   11.110   34.800   0.15  -0.00   0.00   0.02 
1 1 1   17    9    0 o   4.4609   0.7325   4.9047 -91.0000  -0.00  -0.03   0.00   0.00 
1 1 1   17    9    1 o   15.862   0.2160   15.211 -86.6000  -0.55  -1.39  -3.89   2.70 
1 1 1   17    9    2 o   7.0664   0.3830   9.0419   37.200   0.42   0.28   1.11   0.60 
1 1 1   17    9    3 o   12.188   0.2517   12.148   45.900   0.85   0.84   1.74  -0.36 
1 1 1   17    9    4 o   14.389   0.2207   12.287 -125.0000  -0.66   0.54   0.35   0.30 
1 1 1   17    9    5 o   12.116   0.2549   9.9068 -149.6000  -2.38   0.13  -0.81  -0.28 
1 1 1   17    9    6 o   8.7823   0.3010   9.9771  101.800  -0.29   1.20   0.67  -0.09 
1 1 1   17    9    7 f   1.8153   0.8479   9.5395 -60.4000  -0.12   0.15   0.18   0.01 
1 1 1   17    9    8 f   11.649   0.2480   8.8221  147.200   0.05  -0.15  -0.03   0.03 
1 1 1   17    9    9 o   14.047   0.2208   10.715 -73.4000   0.75  -0.10  -0.22  -0.55 
1 1 1   17    9   10 o   14.525   0.6553   13.322   27.400  -1.78   5.64   0.83   0.97 
1 1 1   17    9   11 o   6.7826   0.7141   3.0514  134.000  -3.91   3.19  -0.79   1.45 
1 1 1   17    9   12 o   21.077   0.4717   20.567  176.000  -2.60   5.91   1.24   0.44 
1 1 1   17    9   13 o   0.0000   2.4233  ?   ?   -0.07  -0.00   0.00   0.00 
1 1 1   17   10    0 o   16.894   0.3052   17.284   89.900   0.00   0.11   0.00   0.00 
1 1 1   17   10    1 o   20.379   0.2219   19.825 -108.4000   3.16  -1.27  -0.27   1.13 
1 1 1   17   10    2 o   10.638   0.2843   9.9345 -158.5000  -0.06  -0.51   0.15   0.14 
1 1 1   17   10    3 o   8.5078   0.7338   8.0663   88.200   1.28   6.06   1.05  -0.70 
1 1 1   17   10    4 o   3.8352   0.6374   3.1357  123.400   0.48   0.01  -0.18  -0.21 
1 1 1   17   10    5 f   8.2278   0.3317   6.0659  107.100   0.09   0.49   0.09   0.02 
1 1 1   17   10    6 f   4.6552   0.5067   1.7423   22.800  -0.34  -1.44   0.32  -0.35 
1 1 1   17   10    7 o   10.356   0.5237   12.965 -73.3000  -3.37   0.04  -0.73   0.25 
1 1 1   17   10    8 o   7.1981   0.8512   5.7091  179.400  -4.56  -6.64   0.92  -1.62 
1 1 1   17   10    9 o   8.4459   0.5812   10.709   85.800   4.04   1.67  -0.83  -0.51 
1 1 1   17   10   10 o   11.335   0.9007   6.0064   63.100   2.79   7.23   1.70  -0.87 
1 1 1   17   10   11 o   5.1104   0.3742   6.2137 -121.2000   0.25  -0.13  -0.00   0.01 
1 1 1   17   10   12 o   8.3269   0.8654   7.5086 -41.9000   2.12  -1.00  -0.31   0.16 
1 1 1   17   11    0 o   9.0388   0.4874   6.1448 -91.4000  -0.00  -0.12   0.00   0.00 
1 1 1   17   11    1 o   20.780   0.3233   18.661 -114.9000  -0.13  -4.34   2.62   3.45 
1 1 1   17   11    2 o   3.3241   1.5131   4.7212 -159.7000  -1.52   0.71  -0.15   0.14 
1 1 1   17   11    3 o   9.0257   1.1023   5.1347   71.800  -4.40  11.89   1.88   2.17 
1 1 1   17   11    4 o   7.1603   0.4233   9.4542 -66.8000   0.33  -0.37  -0.16   0.13 
1 1 1   17   11    5 o   3.1137   1.0280   4.8145  108.800  -0.03  -0.63   0.08  -0.03 
1 1 1   17   11    6 o   2.6016   0.8098   1.6901 -170.9000  -0.01   0.03  -0.00  -0.01 
1 1 1   17   11    7 o   11.912   0.4651   13.990 -132.2000  -0.36  -6.58   2.81   0.64 
1 1 1   17   11    8 o   14.558   0.2950   15.367  115.900  -0.48   1.73   0.44  -0.08 
1 1 1   17   11    9 f   11.828   0.2648   7.5013  -1.2000   0.19  -0.22   0.04  -0.12 
1 1 1   17   11   10 o   8.0197   0.3499   7.5837   22.500   0.95   1.04   0.88  -0.50 
1 1 1   17   12    0 o   2.1448   1.2305   8.7269   88.300   0.00   0.08   0.00   0.00 
1 1 1   17   12    1 o   8.6460   0.4365   9.8285 -119.6000   1.26   0.02  -0.17   0.07 
1 1 1   17   12    2 o   1.5564   1.0645   4.0333 -103.4000   0.18  -0.02  -0.03  -0.02 
1 1 1   17   12    3 o   4.1538   0.6602   7.0631 -16.5000  -0.28   0.03  -0.05  -0.13 
1 1 1   17   12    4 o   6.5833   0.4587   4.1244 -150.7000   0.30   0.21  -0.14  -0.01 
1 1 1   17   12    5 o   13.215   0.2661   13.622   72.500   1.29   0.20   1.05  -1.03 
1 1 1   17   12    6 o   2.5408   0.8439   3.9517   41.100   0.08  -0.04   0.02   0.00 
1 1 1   17   12    7 o   22.557   0.2027   19.179 -112.1000   1.96  -2.60  -1.72   1.04 
1 1 1   17   12    8 o   2.0131   0.8948   3.2688 -126.9000  -0.39  -0.25   0.13  -0.21 
1 1 1   17   13    0 o   0.0000   3.1623   2.2917   87.300  -0.00  -0.03   0.00   0.00 
1 1 1   17   13    1 o   11.963   0.3050   12.482 -109.1000   0.11  -0.87   0.03   0.30 
1 1 1   17   13    2 o   11.570   0.8636   8.6422 -137.2000  -3.71  -4.53   0.40  -0.76 
1 1 1   17   13    3 o   0.3664   0.9042   1.2633 -179.5000   0.03   0.30   0.07   0.16 
1 1 1   17   13    4 o   6.9406   0.4786   9.2637 -15.2000   2.47   0.32  -0.63  -0.71 
1 1 1   17   13    5 o   2.0419   1.0783   2.1996   43.600   1.01   1.11   0.10  -0.28 
1 1 1   17   13    6 o   9.0228   0.5723   7.2608 -61.2000   1.93  -1.45   0.08   0.44 
1 1 1   18    0    0 o   11.658   0.4617   4.2471  179.600   0.31   0.00   0.00   0.00 
1 1 1   18    0    1 f   0.0000   2.7568   10.196   89.100   0.00   0.01   0.00   0.00 
1 1 1   18    0    2 o   3.1305   0.8618   0.3165  -5.5000  -0.18   0.00   0.00   0.00 
1 1 1   18    0    3 o   1.8708   1.0560   1.4692 -96.7000  -0.00  -0.13   0.00   0.00 
1 1 1   18    0    4 o   11.511   0.3497   12.994  -0.7000   0.11   0.00   0.00   0.00 
1 1 1   18    0    5 o   13.379   0.3672   10.999 -89.2000   0.00   0.20   0.00   0.00 
1 1 1   18    0    6 o   14.772   0.3050   18.539  -0.1000   0.45   0.00   0.00   0.00 
1 1 1   18    0    7 o   10.724   0.3911   9.6769   89.800   0.00   0.24   0.00   0.00 
1 1 1   18    0    8 o   18.064   0.2834   18.191 -179.8000  -0.24   0.00   0.00   0.00 
1 1 1   18    0    9 o   4.8270   0.6913   8.6451 -90.1000  -0.00  -0.14   0.00   0.00 
1 1 1   18    0   10 o   6.4109   0.5379   3.1436  -0.1000  -0.07   0.00   0.00   0.00 
1 1 1   18    1    0 o   13.153   0.3191   9.0780  -0.3000   0.15   0.00   0.00   0.00 
1 1 1   18    1    1 f   7.7901   0.3295   2.7517 -136.8000   0.13   0.10  -0.05   0.00 
1 1 1   18    1    2 o   12.834   0.3456   14.792  149.900  -1.93   0.80  -0.19   0.51 
1 1 1   18    1    3 o   5.7704   0.3923   7.8971   30.700  -0.23   0.16  -0.19  -0.01 
1 1 1   18    1    4 o   19.059   0.2037   20.429 -63.5000  -0.65   0.53  -0.30  -0.88 
1 1 1   18    1    5 o   21.007   0.1962   16.863  176.100  -0.48  -0.41   0.26   0.38 
1 1 1   18    1    6 o   27.044   0.1963   23.531   91.200  -0.33  -0.23   0.07  -0.01 
1 1 1   18    1    7 o   13.765   0.2315   14.002  -6.4000   0.95   0.65   0.37  -0.55 
1 1 1   18    1    8 o   13.687   0.2265   15.428 -78.6000   0.05  -1.01  -1.22  -0.78 
1 1 1   18    1    9 f   5.0926   0.6429   7.0885 -47.2000  -0.51  -1.28   0.15  -0.08 
1 1 1   18    1   10 o   0.0000   1.8904  ?   ?    0.78  -0.01  -0.28   0.11 
1 1 1   18    2    0 f   7.9436   0.4632   3.3857   1.9000   0.42   0.00   0.00   0.00 
1 1 1   18    2    1 o   4.4633   0.5187   5.3096  135.000  -0.25   0.21  -0.40  -0.41 
1 1 1   18    2    2 o   13.189   0.2444   14.006  163.600  -1.17   2.36   1.61   0.52 
1 1 1   18    2    3 o   5.3051   1.0276   5.1232 -40.0000   4.05   0.81  -0.52  -0.30 
1 1 1   18    2    4 o   24.607   0.4951   18.700  -4.3000   1.30  -0.82   0.13   0.31 
1 1 1   18    2    5 o   9.4303   0.2790   6.2619 -47.7000   0.22   0.04   0.07   0.16 
1 1 1   18    2    6 o   5.4001   0.6299   1.3191 -100.2000   0.31   1.02   0.07  -0.03 
1 1 1   18    2    7 o   16.606   0.2985   17.865  166.000  -3.11   1.25  -0.73   0.28 
1 1 1   18    2    8 f   9.4430   0.2904   11.769  134.800  -2.50  -0.80  -0.48  -1.99 
1 1 1   18    2    9 f   12.504   0.7937   12.269  -7.3000   6.91  -1.86  -1.16   0.35 
1 1 1   18    2   10 o   0.0000   1.8543  ?   ?    0.17  -0.11  -0.02   0.02 
1 1 1   18    3    0 o   19.442   0.2839   19.189   0.5000   0.43   0.00   0.00   0.00 
1 1 1   18    3    1 o   2.8170   0.7041   4.1800 -61.5000   0.19  -0.15  -0.15   0.03 
1 1 1   18    3    2 o   15.841   0.2076   18.381  180.000  -0.58  -0.43   0.06  -0.12 
1 1 1   18    3    3 o   4.1241   0.5954   5.6367   19.200   0.54  -0.09  -0.08   0.48 
1 1 1   18    3    4 f   13.395   0.2345   14.082 -15.8000  -0.31  -0.03   0.00  -0.10 
1 1 1   18    3    5 o   15.831   0.2117   18.024  176.500  -0.32  -0.20   0.18  -0.02 
1 1 1   18    3    6 o   12.312   0.8030   11.814   99.500   6.31   2.87  -0.41  -0.64 
1 1 1   18    3    7 o   10.095   0.4379   6.3419   11.700   2.09   2.03   0.15  -0.48 
1 1 1   18    3    8 o   9.4607   0.2927   6.3437 -70.1000   0.82   0.23  -0.02  -0.38 
1 1 1   18    3    9 f   12.927   0.2905   8.5770 -73.3000   1.43   0.97  -0.68  -0.29 
1 1 1   18    3   10 o   0.0000   1.8164  ?   ?    0.01   0.11   0.00   0.00 
1 1 1   18    4    0 o   15.320   0.3134   11.395  -1.1000  -0.27   0.00   0.00   0.00 
1 1 1   18    4    1 o   11.649   0.4755   9.4230  174.300  -2.40  -4.00   0.87  -0.89 
1 1 1   18    4    2 o   20.228   0.2037   17.212  170.100  -0.80   0.45   0.05  -0.97 
1 1 1   18    4    3 o   8.4466   0.3216   7.3580 -59.0000  -0.92  -0.13  -0.37   0.15 
1 1 1   18    4    4 o   26.065   0.2359   24.277  -9.7000   2.40   4.17   1.32  -0.64 
1 1 1   18    4    5 o   7.1201   0.3640   9.0289   60.300  -0.14   0.51   0.03   0.03 
1 1 1   18    4    6 o   22.966   0.2188   20.831 -156.0000   0.94  -1.26  -1.01  -0.17 
1 1 1   18    4    7 o   19.192   0.8508   20.465 -173.9000 -11.80   0.32  -2.23  -0.52 
1 1 1   18    4    8 o   19.576   0.9736   17.215   71.300   1.88   7.89   0.96  -1.00 
1 1 1   18    4    9 o   11.159   0.6617   11.737   1.7000   5.11  -3.68  -1.05   1.46 
1 1 1   18    5    0 o   11.162   0.3768   16.191   0.2000   0.02   0.00   0.00   0.00 
1 1 1   18    5    1 o   0.0000   2.0177  ?   ?    0.15  -0.17  -0.04   0.08 
1 1 1   18    5    2 o   8.1615   0.3420   6.8226 -150.2000   1.20   0.29  -0.88   0.31 
1 1 1   18    5    3 o   3.6243   0.6748   3.1704  -2.8000  -0.22   0.23  -0.15   0.08 
1 1 1   18    5    4 f   8.2590   0.3404   10.143 -13.0000  -0.12   0.02  -0.00  -0.04 
1 1 1   18    5    5 o   3.5355   0.6437   1.7728  144.100  -0.34  -0.89   0.42  -0.05 
1 1 1   18    5    6 o   5.9962   0.4037   1.0411 -165.1000   1.98   0.48  -0.43  -0.53 
1 1 1   18    5    7 o   9.2731   0.9920   7.5295 -145.4000  -9.25  -2.77  -2.03  -0.83 
1 1 1   18    5    8 o   13.428   0.3383   10.296 -59.1000  -1.88  -0.16  -0.30  -0.28 
1 1 1   18    6    0 o   2.2361   1.1806   0.6232 -177.1000  -0.09   0.00   0.00   0.00 
1 1 1   18    6    1 o   6.5845   0.8262   5.1931  118.200  -0.54   2.27   0.27   0.07 
1 1 1   18    6    2 o   4.8491   0.5796   3.2426   88.000  -2.01   1.03  -0.46   0.36 
1 1 1   18    6    3 o   18.247   0.2120   12.661 -105.9000   0.30  -0.50  -0.23  -0.04 
1 1 1   18    6    4 o   12.235   0.2614   11.183  -4.9000   2.08   0.35  -0.38  -1.44 
1 1 1   18    6    5 o   25.933   0.3179   21.484   57.700   2.14   1.36   0.23  -0.46 
1 1 1   18    6    6 o   14.468   0.3864   13.110 -138.1000  -1.55   1.13   0.38   0.65 
1 1 1   18    6    7 o   17.824   0.4088   17.644 -133.4000  -3.91   2.08  -0.90   0.47 
1 1 1   18    7    0 o   6.7823   0.5943   8.6065  -0.7000  -0.21   0.00   0.00   0.00 
1 1 1   18    7    1 o   8.2543   0.6381   7.4099 -175.9000  -1.07  -2.35   0.15  -0.38 
1 1 1   18    7    2 o   7.3914   0.4437   4.6942 -154.2000   0.47  -0.73   0.09   0.07 
1 1 1   18    7    3 o   5.5599   0.7469   2.1458 -171.8000   0.88  -1.11   0.10   0.15 
1 1 1   18    7    4 o   10.387   0.4719   10.539 -44.6000  -0.22  -1.80   0.28   0.06 
1 1 1   18    7    5 o   14.785   1.3466   13.378   32.300  12.82   8.09  -1.20  -1.68 
1 1 1   18    7    6 o   4.7757   1.8154   3.7364 -176.6000  -2.71   0.02  -0.27   0.04 
1 1 1   18    8    0 o   1.7321   1.2763   8.8159 -179.6000  -0.01   0.00   0.00   0.00 
1 1 1   18    8    1 o   6.0379   0.4817   8.7625   88.500   0.30   1.13   0.13  -0.23 
1 1 1   18    8    2 o   7.9437   0.3909   4.6355   38.700  -1.90   1.25  -1.10   0.56 
1 1 1   18    8    3 o   19.383   0.2142   13.285 -123.3000  -0.57   0.29   0.08  -0.26 
1 1 1   18    8    4 f   0.0000   2.1154  ?   ?    0.09  -0.05  -0.14  -0.04 
1 1 1    0    0    2 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    0    8 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    0   10 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    0   12 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    1    1 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    1    2 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    1    8 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    2    2 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    2    3 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    3   10 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    4    1 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    5    7 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    5    8 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    0    1 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    0    3 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    0    5 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    0    7 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    0   11 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    0   12 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    1    0 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    1    1 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    1    2 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    1    6 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    1    8 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    1    9 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    2    0 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    2    1 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    2    2 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    2    3 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    2    4 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    3    6 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    3    7 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    4   11 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    5    4 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1   23   31 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    0    0 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    0    6 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    0   11 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    1    0 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    1    1 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    2    5 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    2    7 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    2    9 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    2   11 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    3   10 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    5    0 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    5    2 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    5    5 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2   31   17 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    3    0    1 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    3    1    3 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    3    1    4 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    3    3    2 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    3    3    7 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    3    5    1 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    3    5    5 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    4    0    0 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    4    0    2 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    4    1    2 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    4    2    0 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    4    2    2 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    4    3    3 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    9    0    8 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1   14   21   10 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1   16   17    5 x  ?   ?   ?   ?       ?      ?      ?      ? 
#END OF REFLECTIONS
