data_r5tn9sf
# 
_audit.revision_id     1_0 
_audit.creation_date   2017-02-15 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5tn9 
_cell.length_a      53.4290 
_cell.length_b      58.5560 
_cell.length_c      93.7660 
_cell.angle_alpha   80.2700 
_cell.angle_beta    75.0400 
_cell.angle_gamma   62.8400 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9790 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.249 
_diffrn_reflns.pdbx_d_res_low    46.289 
_diffrn_reflns.limit_h_max       23 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       26 
_diffrn_reflns.limit_k_min       -22 
_diffrn_reflns.limit_l_max       41 
_diffrn_reflns.limit_l_min       -39 
_diffrn_reflns.number            42008 
_diffrn_reflns.pdbx_number_obs   42008 
# 
_entry.id   5tn9 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5tn9 
_symmetry.space_group_name_H-M   "P 1" 
_symmetry.Int_Tables_number      1 
# 
_symmetry_equiv.id           1 
_symmetry_equiv.pos_as_xyz   "X,  Y,  Z" 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.phase_meas 
_refln.fom 
1 1 1 0  0   2   o 12.14084  0.4567786     0.0 0.00 
1 1 1 0  0   3   o 2.774887  0.1060847     0.0 0.00 
1 1 1 0  0   4   o 10.48809  0.2030293     0.0 0.00 
1 1 1 0  0   5   o 6.276941  0.1573412     0.0 0.00 
1 1 1 0  0   6   o 10.74244  0.2028794     0.0 0.00 
1 1 1 0  0   7   f 9.939818  0.1893469     0.0 0.00 
1 1 1 0  0   8   o 43.47182  0.4952031     0.0 0.00 
1 1 1 0  0   9   o 19.26136  0.2988033     0.0 0.00 
1 1 1 0  0   10  o 20.16432  0.2880588     0.0 0.00 
1 1 1 0  0   12  o 13.54991  0.2305131     0.0 0.00 
1 1 1 0  0   13  o 8.093206  0.2013695     0.0 0.00 
1 1 1 0  0   14  f 0.000000  1.000000      0.0 0.00 
1 1 1 0  0   15  f 14.54991  0.2892233     0.0 0.00 
1 1 1 0  0   16  o 12.44588  0.2741800     0.0 0.00 
1 1 1 0  0   17  o 14.62532  0.2709877     0.0 0.00 
1 1 1 0  0   18  o 11.81948  0.2594318     0.0 0.00 
1 1 1 0  0   19  o 6.449806  0.2359996     0.0 0.00 
1 1 1 0  0   20  o 18.12457  0.3063832     0.0 0.00 
1 1 1 0  0   21  o 17.96942  0.2898258     0.0 0.00 
1 1 1 0  0   23  o 4.183300  0.2664189     0.0 0.00 
1 1 1 0  0   24  o 4.427189  0.2203913     0.0 0.00 
1 1 1 0  0   25  f 2.626785  0.4228050     0.0 0.00 
1 1 1 0  0   26  o 3.346640  0.3950172     0.0 0.00 
1 1 1 0  0   27  o 8.473488  0.2270866     0.0 0.00 
1 1 1 0  0   28  o 9.633275  0.2459956     0.0 0.00 
1 1 1 0  0   29  o 2.097617  0.5856638     0.0 0.00 
1 1 1 0  0   30  o 1.612451  0.4851661     0.0 0.00 
1 1 1 0  0   31  o 2.738613  0.4078138     0.0 0.00 
1 1 1 0  0   33  o 0.000000  1.378405      0.0 0.00 
1 1 1 0  0   34  o 2.144761  0.4820240     0.0 0.00 
1 1 1 0  0   35  o 1.923538  0.6259714     0.0 0.00 
1 1 1 0  0   36  o 4.147288  0.2799004     0.0 0.00 
1 1 1 0  0   37  o 1.378405  0.6464407     0.0 0.00 
1 1 1 0  0   38  o 0.000000  1.643168      0.0 0.00 
1 1 1 0  0   39  o 2.236068  0.5388194     0.0 0.00 
1 1 1 0  0   40  o 0.000000  1.483240      0.0 0.00 
1 1 1 0  1   -39 o 4.277850  0.3264959     0.0 0.00 
1 1 1 0  1   -38 o 1.224745  0.5918453     0.0 0.00 
1 1 1 0  1   -37 o 0.000000  1.414214      0.0 0.00 
1 1 1 0  1   -36 o 0.000000  1.549193      0.0 0.00 
1 1 1 0  1   -35 o 3.016620  0.3745443     0.0 0.00 
1 1 1 0  1   -34 o 0.8366600 0.8662785     0.0 0.00 
1 1 1 0  1   -33 o 3.937004  0.2701329     0.0 0.00 
1 1 1 0  1   -31 o 7.880355  0.2436831     0.0 0.00 
1 1 1 0  1   -30 f 3.847077  0.3122500     0.0 0.00 
1 1 1 0  1   -29 f 3.316625  0.3302917     0.0 0.00 
1 1 1 0  1   -28 o 13.99643  0.2689145     0.0 0.00 
1 1 1 0  1   -27 o 6.356099  0.2846836     0.0 0.00 
1 1 1 0  1   -26 o 6.066300  0.2503443     0.0 0.00 
1 1 1 0  1   -25 o 8.977749  0.2742765     0.0 0.00 
1 1 1 0  1   -24 o 5.700877  0.2320817     0.0 0.00 
1 1 1 0  1   -23 o 5.983310  0.2776802     0.0 0.00 
1 1 1 0  1   -21 o 4.847680  0.2611360     0.0 0.00 
1 1 1 0  1   -20 o 14.39444  0.2547887     0.0 0.00 
1 1 1 0  1   -19 o 4.732863  0.2571261     0.0 0.00 
1 1 1 0  1   -18 o 6.457553  0.2282521     0.0 0.00 
1 1 1 0  1   -17 o 6.534523  0.2108451     0.0 0.00 
1 1 1 0  1   -16 o 8.893817  0.2166155     0.0 0.00 
1 1 1 0  1   -15 o 1.643168  0.4062225     0.0 0.00 
1 1 1 0  1   -14 o 10.08464  0.2546038     0.0 0.00 
1 1 1 0  1   -13 o 1.449138  0.3674525     0.0 0.00 
1 1 1 0  1   -12 o 23.75079  0.3821755     0.0 0.00 
1 1 1 0  1   -10 o 19.75601  0.3238289     0.0 0.00 
1 1 1 0  1   -9  o 3.316625  0.1618806     0.0 0.00 
1 1 1 0  1   -8  o 35.02713  0.4510299     0.0 0.00 
1 1 1 0  1   -7  o 4.878524  0.1613169     0.0 0.00 
1 1 1 0  1   -6  o 40.94508  0.4819591     0.0 0.00 
1 1 1 0  1   -5  o 5.338539  0.1478076     0.0 0.00 
1 1 1 0  1   -4  o 1.923538  0.1258517     0.0 0.00 
1 1 1 0  1   -3  o 1.732051  0.1118581     0.0 0.00 
1 1 1 0  1   -2  o 19.29507  0.2625301     0.0 0.00 
1 1 1 0  1   -1  o 2.792848  0.1054273     0.0 0.00 
1 1 1 0  1   1   o 18.55802  0.4997896     0.0 0.00 
1 1 1 0  1   2   o 7.071067  0.1469651     0.0 0.00 
1 1 1 0  1   3   o 23.97916  0.3231056     0.0 0.00 
1 1 1 0  1   4   o 6.625708  0.1492463     0.0 0.00 
1 1 1 0  1   5   o 24.56623  0.3215110     0.0 0.00 
1 1 1 0  1   6   o 9.628083  0.1851724     0.0 0.00 
1 1 1 0  1   7   o 6.340346  0.1558057     0.0 0.00 
1 1 1 0  1   8   o 7.956129  0.1802085     0.0 0.00 
1 1 1 0  1   9   o 4.135214  0.1659480     0.0 0.00 
1 1 1 0  1   10  o 25.07987  0.3268196     0.0 0.00 
1 1 1 0  1   12  o 1.549193  0.3216353     0.0 0.00 
1 1 1 0  1   13  o 3.898717  0.2000626     0.0 0.00 
1 1 1 0  1   14  o 9.370165  0.2110662     0.0 0.00 
1 1 1 0  1   15  o 1.732051  0.3173393     0.0 0.00 
1 1 1 0  1   16  o 17.91089  0.3099766     0.0 0.00 
1 1 1 0  1   17  o 6.115553  0.2326741     0.0 0.00 
1 1 1 0  1   18  o 9.622889  0.2361166     0.0 0.00 
1 1 1 0  1   19  o 21.37288  0.3503794     0.0 0.00 
1 1 1 0  1   20  o 4.012480  0.2536652     0.0 0.00 
1 1 1 0  1   21  o 4.494441  0.3013905     0.0 0.00 
1 1 1 0  1   23  o 4.358899  0.3208447     0.0 0.00 
1 1 1 0  1   24  o 9.257428  0.2504620     0.0 0.00 
1 1 1 0  1   25  o 2.469818  0.3762321     0.0 0.00 
1 1 1 0  1   26  o 14.19859  0.2651563     0.0 0.00 
1 1 1 0  1   27  o 2.213594  0.4882568     0.0 0.00 
1 1 1 0  1   28  o 8.148619  0.2358900     0.0 0.00 
1 1 1 0  1   29  f 2.664582  0.3354174     0.0 0.00 
1 1 1 0  1   30  f 6.292852  0.2263493     0.0 0.00 
1 1 1 0  1   31  o 3.331666  0.3015141     0.0 0.00 
1 1 1 0  1   33  o 10.19804  0.2278902     0.0 0.00 
1 1 1 0  1   34  o 0.8366600 0.8366600     0.0 0.00 
1 1 1 0  1   35  o 0.000000  1.341641      0.0 0.00 
1 1 1 0  1   36  o 3.924283  0.3535665     0.0 0.00 
1 1 1 0  1   37  o 1.788854  0.6606353     0.0 0.00 
1 1 1 0  1   38  o 3.146426  0.3320789     0.0 0.00 
1 1 1 0  1   39  o 1.000000  0.8439088     0.0 0.00 
1 1 1 0  1   40  o 0.000000  1.581139      0.0 0.00 
1 1 1 0  2   -39 o 4.571651  0.2553555     0.0 0.00 
1 1 1 0  2   -38 o 0.000000  1.549193      0.0 0.00 
1 1 1 0  2   -37 o 3.000000  0.3763886     0.0 0.00 
1 1 1 0  2   -36 o 2.449490  0.5671308     0.0 0.00 
1 1 1 0  2   -35 o 4.347413  0.2351627     0.0 0.00 
1 1 1 0  2   -34 o 0.000000  1.414214      0.0 0.00 
1 1 1 0  2   -33 o 0.000000  1.483240      0.0 0.00 
1 1 1 0  2   -31 o 8.402380  0.2289576     0.0 0.00 
1 1 1 0  2   -30 o 0.5477225 1.155216      0.0 0.00 
1 1 1 0  2   -29 o 0.3162277 1.167012      0.0 0.00 
1 1 1 0  2   -28 f 1.449138  0.7869303     0.0 0.00 
1 1 1 0  2   -27 o 0.8366600 0.7757915     0.0 0.00 
1 1 1 0  2   -26 o 2.509980  0.4395961     0.0 0.00 
1 1 1 0  2   -25 o 1.048809  0.6832420     0.0 0.00 
1 1 1 0  2   -24 o 16.83746  0.2914646     0.0 0.00 
1 1 1 0  2   -23 o 3.701351  0.3111294     0.0 0.00 
1 1 1 0  2   -21 o 13.06139  0.2727731     0.0 0.00 
1 1 1 0  2   -20 o 3.255764  0.3636281     0.0 0.00 
1 1 1 0  2   -19 o 4.857983  0.2703694     0.0 0.00 
1 1 1 0  2   -18 o 19.49615  0.3482412     0.0 0.00 
1 1 1 0  2   -17 o 3.794733  0.2425926     0.0 0.00 
1 1 1 0  2   -16 o 12.70039  0.2803613     0.0 0.00 
1 1 1 0  2   -15 o 3.911521  0.2357668     0.0 0.00 
1 1 1 0  2   -14 o 10.39230  0.2660252     0.0 0.00 
1 1 1 0  2   -13 o 10.09950  0.2252226     0.0 0.00 
1 1 1 0  2   -12 o 3.768289  0.2066326     0.0 0.00 
1 1 1 0  2   -10 o 8.099381  0.2132583     0.0 0.00 
1 1 1 0  2   -9  o 2.280351  0.2096291     0.0 0.00 
1 1 1 0  2   -8  o 9.994998  0.2177384     0.0 0.00 
1 1 1 0  2   -7  o 6.534523  0.1736802     0.0 0.00 
1 1 1 0  2   -6  o 13.30037  0.2495318     0.0 0.00 
1 1 1 0  2   -5  o 14.61506  0.2543710     0.0 0.00 
1 1 1 0  2   -4  o 18.57687  0.2751882     0.0 0.00 
1 1 1 0  2   -3  f 8.215837  0.1567359     0.0 0.00 
1 1 1 0  2   -2  o 0.5477225 0.2889375     0.0 0.00 
1 1 1 0  2   -1  o 13.64551  0.2000648     0.0 0.00 
1 1 1 0  2   0   o 3.286335  0.1195419     0.0 0.00 
1 1 1 0  2   1   o 20.81586  0.2625656     0.0 0.00 
1 1 1 0  2   2   o 18.72164  0.2599247     0.0 0.00 
1 1 1 0  2   3   f 16.83746  0.2476230     0.0 0.00 
1 1 1 0  2   4   o 9.066422  0.1801994     0.0 0.00 
1 1 1 0  2   5   o 2.774887  0.1233880     0.0 0.00 
1 1 1 0  2   6   o 28.92577  0.3419626     0.0 0.00 
1 1 1 0  2   7   o 5.839520  0.1521403     0.0 0.00 
1 1 1 0  2   8   o 30.57777  0.3964131     0.0 0.00 
1 1 1 0  2   9   o 1.341641  0.2708107     0.0 0.00 
1 1 1 0  2   10  o 21.18018  0.3209833     0.0 0.00 
1 1 1 0  2   12  o 30.47130  0.4139736     0.0 0.00 
1 1 1 0  2   13  o 9.027734  0.2134770     0.0 0.00 
1 1 1 0  2   14  o 11.51521  0.2533949     0.0 0.00 
1 1 1 0  2   15  o 10.94988  0.2393947     0.0 0.00 
1 1 1 0  2   16  o 0.7745966 0.6038082     0.0 0.00 
1 1 1 0  2   17  o 7.797434  0.1837925     0.0 0.00 
1 1 1 0  2   18  o 14.45683  0.2469087     0.0 0.00 
1 1 1 0  2   19  o 5.147815  0.2558874     0.0 0.00 
1 1 1 0  2   20  o 7.733046  0.2105049     0.0 0.00 
1 1 1 0  2   21  o 5.558776  0.1770753     0.0 0.00 
1 1 1 0  2   23  o 7.035623  0.2444862     0.0 0.00 
1 1 1 0  2   24  o 2.190890  0.3975456     0.0 0.00 
1 1 1 0  2   25  o 2.366432  0.4442619     0.0 0.00 
1 1 1 0  2   26  o 3.807886  0.3273281     0.0 0.00 
1 1 1 0  2   27  o 11.06345  0.2635056     0.0 0.00 
1 1 1 0  2   28  f 1.095445  0.7484637     0.0 0.00 
1 1 1 0  2   29  o 7.503332  0.2102917     0.0 0.00 
1 1 1 0  2   30  o 7.899366  0.2431141     0.0 0.00 
1 1 1 0  2   31  o 2.738613  0.4078138     0.0 0.00 
1 1 1 0  2   33  o 5.291502  0.2762617     0.0 0.00 
1 1 1 0  2   34  o 2.213594  0.5250184     0.0 0.00 
1 1 1 0  2   35  o 3.974921  0.2912244     0.0 0.00 
1 1 1 0  2   36  o 1.974842  0.5151381     0.0 0.00 
1 1 1 0  2   37  o 3.361547  0.2990538     0.0 0.00 
1 1 1 0  2   38  o 2.756809  0.5142757     0.0 0.00 
1 1 1 0  2   39  o 3.405877  0.3888559     0.0 0.00 
1 1 1 0  2   40  o 1.048809  0.8220198     0.0 0.00 
1 1 1 0  3   -39 o 0.000000  1.643168      0.0 0.00 
1 1 1 0  3   -38 o 1.816590  0.5917287     0.0 0.00 
1 1 1 0  3   -37 o 3.714835  0.3224907     0.0 0.00 
1 1 1 0  3   -36 o 2.569046  0.3464294     0.0 0.00 
1 1 1 0  3   -35 o 1.303840  0.6455183     0.0 0.00 
1 1 1 0  3   -34 o 1.449138  0.5257041     0.0 0.00 
1 1 1 0  3   -33 o 4.626013  0.2831617     0.0 0.00 
1 1 1 0  3   -31 o 1.643168  0.6590052     0.0 0.00 
1 1 1 0  3   -30 f 3.240370  0.3790218     0.0 0.00 
1 1 1 0  3   -29 o 2.073644  0.4561780     0.0 0.00 
1 1 1 0  3   -28 o 12.20656  0.2914442     0.0 0.00 
1 1 1 0  3   -27 o 2.323790  0.3780612     0.0 0.00 
1 1 1 0  3   -26 o 3.331666  0.3289348     0.0 0.00 
1 1 1 0  3   -25 o 16.25423  0.2836052     0.0 0.00 
1 1 1 0  3   -24 o 10.11929  0.2537535     0.0 0.00 
1 1 1 0  3   -23 o 10.49285  0.2495845     0.0 0.00 
1 1 1 0  3   -22 o 1.000000  1.258318      0.0 0.00 
1 1 1 0  3   -21 o 7.791020  0.4309014     0.0 0.00 
1 1 1 0  3   -20 o 7.071067  0.2501343     0.0 0.00 
1 1 1 0  3   -19 o 7.402702  0.2327414     0.0 0.00 
1 1 1 0  3   -18 o 7.014271  0.2106856     0.0 0.00 
1 1 1 0  3   -17 o 1.183216  0.5774657     0.0 0.00 
1 1 1 0  3   -16 o 3.633180  0.2911029     0.0 0.00 
1 1 1 0  3   -15 o 17.65219  0.3200054     0.0 0.00 
1 1 1 0  3   -14 o 12.94218  0.2865775     0.0 0.00 
1 1 1 0  3   -13 o 1.673320  0.3266799     0.0 0.00 
1 1 1 0  3   -12 o 3.420526  0.2400748     0.0 0.00 
1 1 1 0  3   -11 o 7.655063  0.2252916     0.0 0.00 
1 1 1 0  3   -9  o 20.46949  0.3511733     0.0 0.00 
1 1 1 0  3   -8  o 2.073644  0.2067067     0.0 0.00 
1 1 1 0  3   -7  o 5.513619  0.2222327     0.0 0.00 
1 1 1 0  3   -6  o 42.03926  0.4989507     0.0 0.00 
1 1 1 0  3   -5  o 17.79887  0.2870297     0.0 0.00 
1 1 1 0  3   -4  o 16.15240  0.2792775     0.0 0.00 
1 1 1 0  3   -3  o 11.50652  0.2237827     0.0 0.00 
1 1 1 0  3   -2  o 18.62793  0.2850225     0.0 0.00 
1 1 1 0  3   -1  o 17.95271  0.2599173     0.0 0.00 
1 1 1 0  3   0   o 42.57347  0.4823118     0.0 0.00 
1 1 1 0  3   1   o 8.994443  0.1979454     0.0 0.00 
1 1 1 0  3   2   o 20.52072  0.2807210     0.0 0.00 
1 1 1 0  3   3   o 6.220932  0.1508805     0.0 0.00 
1 1 1 0  3   4   o 9.628083  0.2004460     0.0 0.00 
1 1 1 0  3   5   o 25.17737  0.3294910     0.0 0.00 
1 1 1 0  3   6   o 15.43697  0.2410415     0.0 0.00 
1 1 1 0  3   7   o 6.752776  0.1754260     0.0 0.00 
1 1 1 0  3   8   o 6.212889  0.1667653     0.0 0.00 
1 1 1 0  3   9   o 18.14387  0.2545000     0.0 0.00 
1 1 1 0  3   11  o 11.23833  0.2420908     0.0 0.00 
1 1 1 0  3   12  o 6.212889  0.1745979     0.0 0.00 
1 1 1 0  3   13  o 15.35252  0.2999516     0.0 0.00 
1 1 1 0  3   14  o 6.572670  0.2022832     0.0 0.00 
1 1 1 0  3   15  o 7.476630  0.1914855     0.0 0.00 
1 1 1 0  3   16  o 2.569046  0.2593806     0.0 0.00 
1 1 1 0  3   17  o 0.000000  1.449138      0.0 0.00 
1 1 1 0  3   18  o 10.83974  0.2237116     0.0 0.00 
1 1 1 0  3   19  o 3.162277  0.2582486     0.0 0.00 
1 1 1 0  3   20  o 1.870829  0.3874892     0.0 0.00 
1 1 1 0  3   21  o 9.736528  0.2183691     0.0 0.00 
1 1 1 0  3   23  o 4.242640  0.2629114     0.0 0.00 
1 1 1 0  3   24  o 10.96358  0.2569408     0.0 0.00 
1 1 1 0  3   25  o 4.324349  0.2799961     0.0 0.00 
1 1 1 0  3   26  o 7.300684  0.2557693     0.0 0.00 
1 1 1 0  3   27  o 1.581139  0.6097513     0.0 0.00 
1 1 1 0  3   28  o 4.979959  0.2736104     0.0 0.00 
1 1 1 0  3   29  o 7.007139  0.2592216     0.0 0.00 
1 1 1 0  3   30  f 2.428991  0.5035840     0.0 0.00 
1 1 1 0  3   31  o 9.808159  0.2068289     0.0 0.00 
1 1 1 0  3   33  o 3.162277  0.4014283     0.0 0.00 
1 1 1 0  3   34  o 1.974842  0.4949760     0.0 0.00 
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1 1 1 23 14  19  o 2.024845  0.2989443     0.0 0.00 
1 1 1 23 15  4   o 0.9486832 0.6324555     0.0 0.00 
1 1 1 23 15  5   o 0.9486832 0.6005100     0.0 0.00 
1 1 1 23 15  6   o 2.190890  0.3781562     0.0 0.00 
1 1 1 23 15  7   o 2.345208  0.3193746     0.0 0.00 
1 1 1 23 15  8   o 2.489980  0.3028681     0.0 0.00 
1 1 1 23 15  9   o 0.000000  1.183216      0.0 0.00 
1 1 1 23 15  10  o 1.549193  0.4001655     0.0 0.00 
1 1 1 23 15  11  o 1.341641  0.4749494     0.0 0.00 
1 1 1 23 15  12  o 2.428991  0.2728596     0.0 0.00 
1 1 1 23 15  13  o 3.507135  0.2211348     0.0 0.00 
1 1 1 23 15  14  o 2.792848  0.2730939     0.0 0.00 
1 1 1 23 15  15  o 1.483240  0.4916020     0.0 0.00 
1 1 1 23 15  16  o 0.5477225 0.9688525     0.0 0.00 
1 1 1 23 16  7   o 2.258318  0.4249636     0.0 0.00 
1 1 1 23 16  8   o 0.9486832 0.6324555     0.0 0.00 
1 1 1 23 16  9   o 1.949359  0.4170730     0.0 0.00 
1 1 1 23 16  10  o 1.183216  0.4901040     0.0 0.00 
1 1 1 23 16  11  o 2.024845  0.3415862     0.0 0.00 
1 1 1 23 16  12  o 2.569046  0.2945177     0.0 0.00 
1 1 1 23 16  13  o 2.880972  0.2813056     0.0 0.00 
1 1 1 23 16  14  o 2.097617  0.3107012     0.0 0.00 
1 1 1 23 16  15  o 2.645751  0.3038249     0.0 0.00 
1 1 1 23 16  16  o 0.3162277 0.9486832     0.0 0.00 
1 1 1 23 17  11  o 3.346640  0.5004367     0.0 0.00 
1 1 1 23 17  12  o 0.000000  1.483240      0.0 0.00 
# 
#END OF REFLECTIONS
